----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:00:03]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.432900150003447 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): *1 O 0.32362714665893 0.17298999785482 0.67349574618012 15.999 2 O 0.67637285334107 0.67298999785482 0.82650425381988 15.999 3 O 0.67637285334107 0.82701000214518 0.32650425381988 15.999 4 O 0.32362714665893 0.32701000214518 0.17349574618012 15.999 *5 O 0.24278754670907 0.91512643902507 0.74203595457745 15.999 6 O 0.75721245329093 0.41512643902507 0.75796404542255 15.999 7 O 0.75721245329093 0.08487356097493 0.25796404542255 15.999 8 O 0.24278754670907 0.58487356097493 0.24203595457745 15.999 *9 O 0.72680957112660 0.97089133845776 0.74853864116986 15.999 10 O 0.27319042887340 0.47089133845776 0.75146135883014 15.999 11 O 0.27319042887340 0.02910866154224 0.25146135883014 15.999 12 O 0.72680957112660 0.52910866154224 0.24853864116986 15.999 *13 O 0.23822360470740 0.73801025202199 0.40572103112971 15.999 14 O 0.76177639529260 0.23801025202199 0.09427896887029 15.999 15 O 0.76177639529260 0.26198974797801 0.59427896887029 15.999 16 O 0.23822360470740 0.76198974797801 0.90572103112971 15.999 *17 O 0.33313836454203 0.57819149651376 0.06616340340032 15.999 18 O 0.66686163545797 0.07819149651376 0.43383659659968 15.999 19 O 0.66686163545797 0.42180850348624 0.93383659659968 15.999 20 O 0.33313836454203 0.92180850348624 0.56616340340032 15.999 *21 O 0.07365117599315 0.84660314034150 0.05696287930618 15.999 22 O 0.92634882400685 0.34660314034150 0.44303712069382 15.999 23 O 0.92634882400685 0.15339685965850 0.94303712069382 15.999 24 O 0.07365117599315 0.65339685965850 0.55696287930618 15.999 *25 O 0.57431853542621 0.85584425825945 0.07931180586232 15.999 26 O 0.42568146457379 0.35584425825945 0.42068819413768 15.999 27 O 0.42568146457379 0.14415574174055 0.92068819413768 15.999 28 O 0.57431853542621 0.64415574174055 0.57931180586232 15.999 *29 Si 0.40871488516901 0.99437601044707 0.67988019185598 28.085 30 Si 0.59128511483099 0.49437601044707 0.82011980814402 28.085 31 Si 0.59128511483099 0.00562398955293 0.32011980814402 28.085 32 Si 0.40871488516901 0.50562398955293 0.17988019185598 28.085 *33 Si 0.29683500993384 0.74522892671614 0.52663647156815 28.085 34 Si 0.70316499006616 0.24522892671614 0.97336352843185 28.085 35 Si 0.70316499006616 0.25477107328386 0.47336352843185 28.085 36 Si 0.29683500993384 0.75477107328386 0.02663647156815 28.085 *37 La 0.34732221813795 0.10687598072783 0.08931348162787 138.905 38 La 0.65267778186205 0.60687598072783 0.41068651837213 138.905 39 La 0.65267778186205 0.89312401927217 0.91068651837213 138.905 40 La 0.34732221813795 0.39312401927217 0.58931348162787 138.905 *41 La 0.01943665520839 0.30973055440587 0.26801037103584 138.905 42 La 0.98056334479161 0.80973055440587 0.23198962896416 138.905 43 La 0.98056334479161 0.69026944559413 0.73198962896416 138.905 44 La 0.01943665520839 0.19026944559413 0.76801037103584 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.432900150003447 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): *1 O 0.32362714665893 0.17298999785482 0.67349574618012 15.999 > 1 2 O 0.67637285334107 0.67298999785482 0.82650425381988 15.999 > 2 3 O 0.67637285334107 0.82701000214518 0.32650425381988 15.999 > 3 4 O 0.32362714665893 0.32701000214518 0.17349574618012 15.999 > 4 *5 O 0.24278754670907 0.91512643902507 0.74203595457745 15.999 > 5 6 O 0.75721245329093 0.41512643902507 0.75796404542255 15.999 > 6 7 O 0.75721245329093 0.08487356097493 0.25796404542255 15.999 > 7 8 O 0.24278754670907 0.58487356097493 0.24203595457745 15.999 > 8 *9 O 0.72680957112660 0.97089133845776 0.74853864116986 15.999 > 9 10 O 0.27319042887340 0.47089133845776 0.75146135883014 15.999 > 10 11 O 0.27319042887340 0.02910866154224 0.25146135883014 15.999 > 11 12 O 0.72680957112660 0.52910866154224 0.24853864116986 15.999 > 12 *13 O 0.23822360470740 0.73801025202199 0.40572103112971 15.999 > 13 14 O 0.76177639529260 0.23801025202199 0.09427896887029 15.999 > 14 15 O 0.76177639529260 0.26198974797801 0.59427896887029 15.999 > 15 16 O 0.23822360470740 0.76198974797801 0.90572103112971 15.999 > 16 *17 O 0.33313836454203 0.57819149651376 0.06616340340032 15.999 > 17 18 O 0.66686163545797 0.07819149651376 0.43383659659968 15.999 > 18 19 O 0.66686163545797 0.42180850348624 0.93383659659968 15.999 > 19 20 O 0.33313836454203 0.92180850348624 0.56616340340032 15.999 > 20 *21 O 0.07365117599315 0.84660314034150 0.05696287930618 15.999 > 21 22 O 0.92634882400685 0.34660314034150 0.44303712069382 15.999 > 22 23 O 0.92634882400685 0.15339685965850 0.94303712069382 15.999 > 23 24 O 0.07365117599315 0.65339685965850 0.55696287930618 15.999 > 24 *25 O 0.57431853542621 0.85584425825945 0.07931180586232 15.999 > 25 26 O 0.42568146457379 0.35584425825945 0.42068819413768 15.999 > 26 27 O 0.42568146457379 0.14415574174055 0.92068819413768 15.999 > 27 28 O 0.57431853542621 0.64415574174055 0.57931180586232 15.999 > 28 *29 Si 0.40871488516901 0.99437601044707 0.67988019185598 28.085 > 29 30 Si 0.59128511483099 0.49437601044707 0.82011980814402 28.085 > 30 31 Si 0.59128511483099 0.00562398955293 0.32011980814402 28.085 > 31 32 Si 0.40871488516901 0.50562398955293 0.17988019185598 28.085 > 32 *33 Si 0.29683500993384 0.74522892671614 0.52663647156815 28.085 > 33 34 Si 0.70316499006616 0.24522892671614 0.97336352843185 28.085 > 34 35 Si 0.70316499006616 0.25477107328386 0.47336352843185 28.085 > 35 36 Si 0.29683500993384 0.75477107328386 0.02663647156815 28.085 > 36 *37 La 0.34732221813795 0.10687598072783 0.08931348162787 138.905 > 37 38 La 0.65267778186205 0.60687598072783 0.41068651837213 138.905 > 38 39 La 0.65267778186205 0.89312401927217 0.91068651837213 138.905 > 39 40 La 0.34732221813795 0.39312401927217 0.58931348162787 138.905 > 40 *41 La 0.01943665520839 0.30973055440587 0.26801037103584 138.905 > 41 42 La 0.98056334479161 0.80973055440587 0.23198962896416 138.905 > 42 43 La 0.98056334479161 0.69026944559413 0.73198962896416 138.905 > 43 44 La 0.01943665520839 0.19026944559413 0.76801037103584 138.905 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.865800300006894 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): *1 O 0.16181357332946 0.17298999785482 0.67349574618012 15.999 > 1 2 O 0.66181357332946 0.17298999785482 0.67349574618012 15.999 > 1 3 O 0.33818642667054 0.67298999785482 0.82650425381988 15.999 > 2 4 O 0.83818642667054 0.67298999785482 0.82650425381988 15.999 > 2 5 O 0.33818642667054 0.82701000214518 0.32650425381988 15.999 > 3 6 O 0.83818642667054 0.82701000214518 0.32650425381988 15.999 > 3 7 O 0.16181357332946 0.32701000214518 0.17349574618012 15.999 > 4 8 O 0.66181357332946 0.32701000214518 0.17349574618012 15.999 > 4 *9 O 0.12139377335453 0.91512643902507 0.74203595457745 15.999 > 5 10 O 0.62139377335453 0.91512643902507 0.74203595457745 15.999 > 5 11 O 0.37860622664547 0.41512643902507 0.75796404542255 15.999 > 6 12 O 0.87860622664547 0.41512643902507 0.75796404542255 15.999 > 6 13 O 0.37860622664547 0.08487356097493 0.25796404542255 15.999 > 7 14 O 0.87860622664547 0.08487356097493 0.25796404542255 15.999 > 7 15 O 0.12139377335453 0.58487356097493 0.24203595457745 15.999 > 8 16 O 0.62139377335453 0.58487356097493 0.24203595457745 15.999 > 8 *17 O 0.36340478556330 0.97089133845776 0.74853864116986 15.999 > 9 18 O 0.86340478556330 0.97089133845776 0.74853864116986 15.999 > 9 19 O 0.13659521443670 0.47089133845776 0.75146135883014 15.999 > 10 20 O 0.63659521443670 0.47089133845776 0.75146135883014 15.999 > 10 21 O 0.13659521443670 0.02910866154224 0.25146135883014 15.999 > 11 22 O 0.63659521443670 0.02910866154224 0.25146135883014 15.999 > 11 23 O 0.36340478556330 0.52910866154224 0.24853864116986 15.999 > 12 24 O 0.86340478556330 0.52910866154224 0.24853864116986 15.999 > 12 *25 O 0.11911180235370 0.73801025202199 0.40572103112971 15.999 > 13 26 O 0.61911180235370 0.73801025202199 0.40572103112971 15.999 > 13 27 O 0.38088819764630 0.23801025202199 0.09427896887029 15.999 > 14 28 O 0.88088819764630 0.23801025202199 0.09427896887029 15.999 > 14 29 O 0.38088819764630 0.26198974797801 0.59427896887029 15.999 > 15 30 O 0.88088819764630 0.26198974797801 0.59427896887029 15.999 > 15 31 O 0.11911180235370 0.76198974797801 0.90572103112971 15.999 > 16 32 O 0.61911180235370 0.76198974797801 0.90572103112971 15.999 > 16 *33 O 0.16656918227101 0.57819149651376 0.06616340340032 15.999 > 17 34 O 0.66656918227101 0.57819149651376 0.06616340340032 15.999 > 17 35 O 0.33343081772899 0.07819149651376 0.43383659659968 15.999 > 18 36 O 0.83343081772899 0.07819149651376 0.43383659659968 15.999 > 18 37 O 0.33343081772899 0.42180850348624 0.93383659659968 15.999 > 19 38 O 0.83343081772899 0.42180850348624 0.93383659659968 15.999 > 19 39 O 0.16656918227101 0.92180850348624 0.56616340340032 15.999 > 20 40 O 0.66656918227101 0.92180850348624 0.56616340340032 15.999 > 20 *41 O 0.03682558799657 0.84660314034150 0.05696287930618 15.999 > 21 42 O 0.53682558799657 0.84660314034150 0.05696287930618 15.999 > 21 43 O 0.46317441200343 0.34660314034150 0.44303712069382 15.999 > 22 44 O 0.96317441200343 0.34660314034150 0.44303712069382 15.999 > 22 45 O 0.46317441200343 0.15339685965850 0.94303712069382 15.999 > 23 46 O 0.96317441200343 0.15339685965850 0.94303712069382 15.999 > 23 47 O 0.03682558799657 0.65339685965850 0.55696287930618 15.999 > 24 48 O 0.53682558799657 0.65339685965850 0.55696287930618 15.999 > 24 *49 O 0.28715926771310 0.85584425825945 0.07931180586232 15.999 > 25 50 O 0.78715926771310 0.85584425825945 0.07931180586232 15.999 > 25 51 O 0.21284073228690 0.35584425825945 0.42068819413768 15.999 > 26 52 O 0.71284073228690 0.35584425825945 0.42068819413768 15.999 > 26 53 O 0.21284073228690 0.14415574174055 0.92068819413768 15.999 > 27 54 O 0.71284073228690 0.14415574174055 0.92068819413768 15.999 > 27 55 O 0.28715926771310 0.64415574174055 0.57931180586232 15.999 > 28 56 O 0.78715926771310 0.64415574174055 0.57931180586232 15.999 > 28 *57 Si 0.20435744258451 0.99437601044707 0.67988019185598 28.085 > 29 58 Si 0.70435744258451 0.99437601044707 0.67988019185598 28.085 > 29 59 Si 0.29564255741549 0.49437601044707 0.82011980814402 28.085 > 30 60 Si 0.79564255741549 0.49437601044707 0.82011980814402 28.085 > 30 61 Si 0.29564255741549 0.00562398955293 0.32011980814402 28.085 > 31 62 Si 0.79564255741549 0.00562398955293 0.32011980814402 28.085 > 31 63 Si 0.20435744258451 0.50562398955293 0.17988019185598 28.085 > 32 64 Si 0.70435744258451 0.50562398955293 0.17988019185598 28.085 > 32 *65 Si 0.14841750496692 0.74522892671614 0.52663647156815 28.085 > 33 66 Si 0.64841750496692 0.74522892671614 0.52663647156815 28.085 > 33 67 Si 0.35158249503308 0.24522892671614 0.97336352843185 28.085 > 34 68 Si 0.85158249503308 0.24522892671614 0.97336352843185 28.085 > 34 69 Si 0.35158249503308 0.25477107328386 0.47336352843185 28.085 > 35 70 Si 0.85158249503308 0.25477107328386 0.47336352843185 28.085 > 35 71 Si 0.14841750496692 0.75477107328386 0.02663647156815 28.085 > 36 72 Si 0.64841750496692 0.75477107328386 0.02663647156815 28.085 > 36 *73 La 0.17366110906898 0.10687598072783 0.08931348162787 138.905 > 37 74 La 0.67366110906898 0.10687598072783 0.08931348162787 138.905 > 37 75 La 0.32633889093102 0.60687598072783 0.41068651837213 138.905 > 38 76 La 0.82633889093102 0.60687598072783 0.41068651837213 138.905 > 38 77 La 0.32633889093102 0.89312401927217 0.91068651837213 138.905 > 39 78 La 0.82633889093102 0.89312401927217 0.91068651837213 138.905 > 39 79 La 0.17366110906898 0.39312401927217 0.58931348162787 138.905 > 40 80 La 0.67366110906898 0.39312401927217 0.58931348162787 138.905 > 40 *81 La 0.00971832760420 0.30973055440587 0.26801037103584 138.905 > 41 82 La 0.50971832760420 0.30973055440587 0.26801037103584 138.905 > 41 83 La 0.49028167239580 0.80973055440587 0.23198962896416 138.905 > 42 84 La 0.99028167239580 0.80973055440587 0.23198962896416 138.905 > 42 85 La 0.49028167239580 0.69026944559413 0.73198962896416 138.905 > 43 86 La 0.99028167239580 0.69026944559413 0.73198962896416 138.905 > 43 87 La 0.00971832760420 0.19026944559413 0.76801037103584 138.905 > 44 88 La 0.50971832760420 0.19026944559413 0.76801037103584 138.905 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4703667 0.0000000 -0.0042311 0.0000000 3.4384304 0.0000000 -0.0042332 0.0000000 3.4582144 -------------------------- Born effective charges -------------------------- 1 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 2 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 3 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 4 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 5 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 6 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 7 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 8 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 9 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 10 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 11 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 12 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 13 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 14 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 15 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 16 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 17 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 18 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 19 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 20 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 21 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 22 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 23 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 24 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 25 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 26 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 27 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 28 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 29 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 30 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 31 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 32 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 33 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 34 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 35 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 36 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 37 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 38 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 39 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 40 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 41 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 42 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 43 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 44 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 1360 - Time: 0.807 Solver_block: 200 / 1360 - Time: 0.720 Solver_block: 300 / 1360 - Time: 0.714 Solver_block: 400 / 1360 - Time: 0.716 Solver_block: 500 / 1360 - Time: 0.699 Solver_block: 600 / 1360 - Time: 0.707 Solver_block: 700 / 1360 - Time: 0.716 Solver_block: 800 / 1360 - Time: 0.701 Solver_block: 900 / 1360 - Time: 0.711 Solver_block: 1000 / 1360 - Time: 0.718 Solver_block: 1100 / 1360 - Time: 0.709 Solver_block: 1200 / 1360 - Time: 0.711 Solver_block: 1300 / 1360 - Time: 0.715 Solver_block: 1360 / 1360 - Time: 0.466 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.095 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:00:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:00:51]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.432900150003447 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): 1 O 0.32362714665893 0.17298999785482 0.67349574618012 15.999 2 O 0.67637285334107 0.67298999785482 0.82650425381988 15.999 3 O 0.67637285334107 0.82701000214518 0.32650425381988 15.999 4 O 0.32362714665893 0.32701000214518 0.17349574618012 15.999 5 O 0.24278754670907 0.91512643902507 0.74203595457745 15.999 6 O 0.75721245329093 0.41512643902507 0.75796404542255 15.999 7 O 0.75721245329093 0.08487356097493 0.25796404542255 15.999 8 O 0.24278754670907 0.58487356097493 0.24203595457745 15.999 9 O 0.72680957112660 0.97089133845776 0.74853864116986 15.999 10 O 0.27319042887340 0.47089133845776 0.75146135883014 15.999 11 O 0.27319042887340 0.02910866154224 0.25146135883014 15.999 12 O 0.72680957112660 0.52910866154224 0.24853864116986 15.999 13 O 0.23822360470740 0.73801025202199 0.40572103112971 15.999 14 O 0.76177639529260 0.23801025202199 0.09427896887029 15.999 15 O 0.76177639529260 0.26198974797801 0.59427896887029 15.999 16 O 0.23822360470740 0.76198974797801 0.90572103112971 15.999 17 O 0.33313836454203 0.57819149651376 0.06616340340032 15.999 18 O 0.66686163545797 0.07819149651376 0.43383659659968 15.999 19 O 0.66686163545797 0.42180850348624 0.93383659659968 15.999 20 O 0.33313836454203 0.92180850348624 0.56616340340032 15.999 21 O 0.07365117599315 0.84660314034150 0.05696287930618 15.999 22 O 0.92634882400685 0.34660314034150 0.44303712069382 15.999 23 O 0.92634882400685 0.15339685965850 0.94303712069382 15.999 24 O 0.07365117599315 0.65339685965850 0.55696287930618 15.999 25 O 0.57431853542621 0.85584425825945 0.07931180586232 15.999 26 O 0.42568146457379 0.35584425825945 0.42068819413768 15.999 27 O 0.42568146457379 0.14415574174055 0.92068819413768 15.999 28 O 0.57431853542621 0.64415574174055 0.57931180586232 15.999 29 Si 0.40871488516901 0.99437601044707 0.67988019185598 28.085 30 Si 0.59128511483099 0.49437601044707 0.82011980814402 28.085 31 Si 0.59128511483099 0.00562398955293 0.32011980814402 28.085 32 Si 0.40871488516901 0.50562398955293 0.17988019185598 28.085 33 Si 0.29683500993384 0.74522892671614 0.52663647156815 28.085 34 Si 0.70316499006616 0.24522892671614 0.97336352843185 28.085 35 Si 0.70316499006616 0.25477107328386 0.47336352843185 28.085 36 Si 0.29683500993384 0.75477107328386 0.02663647156815 28.085 37 La 0.34732221813795 0.10687598072783 0.08931348162787 138.905 38 La 0.65267778186205 0.60687598072783 0.41068651837213 138.905 39 La 0.65267778186205 0.89312401927217 0.91068651837213 138.905 40 La 0.34732221813795 0.39312401927217 0.58931348162787 138.905 41 La 0.01943665520839 0.30973055440587 0.26801037103584 138.905 42 La 0.98056334479161 0.80973055440587 0.23198962896416 138.905 43 La 0.98056334479161 0.69026944559413 0.73198962896416 138.905 44 La 0.01943665520839 0.19026944559413 0.76801037103584 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.865800300006894 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): 1 O 0.16181357332946 0.17298999785482 0.67349574618012 15.999 > 1 2 O 0.66181357332946 0.17298999785482 0.67349574618012 15.999 > 1 3 O 0.33818642667054 0.67298999785482 0.82650425381988 15.999 > 3 4 O 0.83818642667054 0.67298999785482 0.82650425381988 15.999 > 3 5 O 0.33818642667054 0.82701000214518 0.32650425381988 15.999 > 5 6 O 0.83818642667054 0.82701000214518 0.32650425381988 15.999 > 5 7 O 0.16181357332946 0.32701000214518 0.17349574618012 15.999 > 7 8 O 0.66181357332946 0.32701000214518 0.17349574618012 15.999 > 7 9 O 0.12139377335453 0.91512643902507 0.74203595457745 15.999 > 9 10 O 0.62139377335453 0.91512643902507 0.74203595457745 15.999 > 9 11 O 0.37860622664547 0.41512643902507 0.75796404542255 15.999 > 11 12 O 0.87860622664547 0.41512643902507 0.75796404542255 15.999 > 11 13 O 0.37860622664547 0.08487356097493 0.25796404542255 15.999 > 13 14 O 0.87860622664547 0.08487356097493 0.25796404542255 15.999 > 13 15 O 0.12139377335453 0.58487356097493 0.24203595457745 15.999 > 15 16 O 0.62139377335453 0.58487356097493 0.24203595457745 15.999 > 15 17 O 0.36340478556330 0.97089133845776 0.74853864116986 15.999 > 17 18 O 0.86340478556330 0.97089133845776 0.74853864116986 15.999 > 17 19 O 0.13659521443670 0.47089133845776 0.75146135883014 15.999 > 19 20 O 0.63659521443670 0.47089133845776 0.75146135883014 15.999 > 19 21 O 0.13659521443670 0.02910866154224 0.25146135883014 15.999 > 21 22 O 0.63659521443670 0.02910866154224 0.25146135883014 15.999 > 21 23 O 0.36340478556330 0.52910866154224 0.24853864116986 15.999 > 23 24 O 0.86340478556330 0.52910866154224 0.24853864116986 15.999 > 23 25 O 0.11911180235370 0.73801025202199 0.40572103112971 15.999 > 25 26 O 0.61911180235370 0.73801025202199 0.40572103112971 15.999 > 25 27 O 0.38088819764630 0.23801025202199 0.09427896887029 15.999 > 27 28 O 0.88088819764630 0.23801025202199 0.09427896887029 15.999 > 27 29 O 0.38088819764630 0.26198974797801 0.59427896887029 15.999 > 29 30 O 0.88088819764630 0.26198974797801 0.59427896887029 15.999 > 29 31 O 0.11911180235370 0.76198974797801 0.90572103112971 15.999 > 31 32 O 0.61911180235370 0.76198974797801 0.90572103112971 15.999 > 31 33 O 0.16656918227101 0.57819149651376 0.06616340340032 15.999 > 33 34 O 0.66656918227101 0.57819149651376 0.06616340340032 15.999 > 33 35 O 0.33343081772899 0.07819149651376 0.43383659659968 15.999 > 35 36 O 0.83343081772899 0.07819149651376 0.43383659659968 15.999 > 35 37 O 0.33343081772899 0.42180850348624 0.93383659659968 15.999 > 37 38 O 0.83343081772899 0.42180850348624 0.93383659659968 15.999 > 37 39 O 0.16656918227101 0.92180850348624 0.56616340340032 15.999 > 39 40 O 0.66656918227101 0.92180850348624 0.56616340340032 15.999 > 39 41 O 0.03682558799657 0.84660314034150 0.05696287930618 15.999 > 41 42 O 0.53682558799657 0.84660314034150 0.05696287930618 15.999 > 41 43 O 0.46317441200343 0.34660314034150 0.44303712069382 15.999 > 43 44 O 0.96317441200343 0.34660314034150 0.44303712069382 15.999 > 43 45 O 0.46317441200343 0.15339685965850 0.94303712069382 15.999 > 45 46 O 0.96317441200343 0.15339685965850 0.94303712069382 15.999 > 45 47 O 0.03682558799657 0.65339685965850 0.55696287930618 15.999 > 47 48 O 0.53682558799657 0.65339685965850 0.55696287930618 15.999 > 47 49 O 0.28715926771310 0.85584425825945 0.07931180586232 15.999 > 49 50 O 0.78715926771310 0.85584425825945 0.07931180586232 15.999 > 49 51 O 0.21284073228690 0.35584425825945 0.42068819413768 15.999 > 51 52 O 0.71284073228690 0.35584425825945 0.42068819413768 15.999 > 51 53 O 0.21284073228690 0.14415574174055 0.92068819413768 15.999 > 53 54 O 0.71284073228690 0.14415574174055 0.92068819413768 15.999 > 53 55 O 0.28715926771310 0.64415574174055 0.57931180586232 15.999 > 55 56 O 0.78715926771310 0.64415574174055 0.57931180586232 15.999 > 55 57 Si 0.20435744258451 0.99437601044707 0.67988019185598 28.085 > 57 58 Si 0.70435744258451 0.99437601044707 0.67988019185598 28.085 > 57 59 Si 0.29564255741549 0.49437601044707 0.82011980814402 28.085 > 59 60 Si 0.79564255741549 0.49437601044707 0.82011980814402 28.085 > 59 61 Si 0.29564255741549 0.00562398955293 0.32011980814402 28.085 > 61 62 Si 0.79564255741549 0.00562398955293 0.32011980814402 28.085 > 61 63 Si 0.20435744258451 0.50562398955293 0.17988019185598 28.085 > 63 64 Si 0.70435744258451 0.50562398955293 0.17988019185598 28.085 > 63 65 Si 0.14841750496692 0.74522892671614 0.52663647156815 28.085 > 65 66 Si 0.64841750496692 0.74522892671614 0.52663647156815 28.085 > 65 67 Si 0.35158249503308 0.24522892671614 0.97336352843185 28.085 > 67 68 Si 0.85158249503308 0.24522892671614 0.97336352843185 28.085 > 67 69 Si 0.35158249503308 0.25477107328386 0.47336352843185 28.085 > 69 70 Si 0.85158249503308 0.25477107328386 0.47336352843185 28.085 > 69 71 Si 0.14841750496692 0.75477107328386 0.02663647156815 28.085 > 71 72 Si 0.64841750496692 0.75477107328386 0.02663647156815 28.085 > 71 73 La 0.17366110906898 0.10687598072783 0.08931348162787 138.905 > 73 74 La 0.67366110906898 0.10687598072783 0.08931348162787 138.905 > 73 75 La 0.32633889093102 0.60687598072783 0.41068651837213 138.905 > 75 76 La 0.82633889093102 0.60687598072783 0.41068651837213 138.905 > 75 77 La 0.32633889093102 0.89312401927217 0.91068651837213 138.905 > 77 78 La 0.82633889093102 0.89312401927217 0.91068651837213 138.905 > 77 79 La 0.17366110906898 0.39312401927217 0.58931348162787 138.905 > 79 80 La 0.67366110906898 0.39312401927217 0.58931348162787 138.905 > 79 81 La 0.00971832760420 0.30973055440587 0.26801037103584 138.905 > 81 82 La 0.50971832760420 0.30973055440587 0.26801037103584 138.905 > 81 83 La 0.49028167239580 0.80973055440587 0.23198962896416 138.905 > 83 84 La 0.99028167239580 0.80973055440587 0.23198962896416 138.905 > 83 85 La 0.49028167239580 0.69026944559413 0.73198962896416 138.905 > 85 86 La 0.99028167239580 0.69026944559413 0.73198962896416 138.905 > 85 87 La 0.00971832760420 0.19026944559413 0.76801037103584 138.905 > 87 88 La 0.50971832760420 0.19026944559413 0.76801037103584 138.905 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4703667 0.0000000 -0.0042311 0.0000000 3.4384304 0.0000000 -0.0042332 0.0000000 3.4582144 -------------------------- Born effective charges -------------------------- 1 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 2 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 3 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 4 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 5 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 6 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 7 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 8 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 9 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 10 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 11 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 12 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 13 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 14 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 15 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 16 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 17 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 18 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 19 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 20 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 21 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 22 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 23 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 24 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 25 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 26 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 27 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 28 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 29 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 30 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 31 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 32 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 33 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 34 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 35 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 36 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 37 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 38 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 39 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 40 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 41 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 42 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 43 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 44 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 9, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (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 2026-01-07 21:01:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:01:20]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.432900150003447 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): 1 O 0.32362714665893 0.17298999785482 0.67349574618012 15.999 2 O 0.67637285334107 0.67298999785482 0.82650425381988 15.999 3 O 0.67637285334107 0.82701000214518 0.32650425381988 15.999 4 O 0.32362714665893 0.32701000214518 0.17349574618012 15.999 5 O 0.24278754670907 0.91512643902507 0.74203595457745 15.999 6 O 0.75721245329093 0.41512643902507 0.75796404542255 15.999 7 O 0.75721245329093 0.08487356097493 0.25796404542255 15.999 8 O 0.24278754670907 0.58487356097493 0.24203595457745 15.999 9 O 0.72680957112660 0.97089133845776 0.74853864116986 15.999 10 O 0.27319042887340 0.47089133845776 0.75146135883014 15.999 11 O 0.27319042887340 0.02910866154224 0.25146135883014 15.999 12 O 0.72680957112660 0.52910866154224 0.24853864116986 15.999 13 O 0.23822360470740 0.73801025202199 0.40572103112971 15.999 14 O 0.76177639529260 0.23801025202199 0.09427896887029 15.999 15 O 0.76177639529260 0.26198974797801 0.59427896887029 15.999 16 O 0.23822360470740 0.76198974797801 0.90572103112971 15.999 17 O 0.33313836454203 0.57819149651376 0.06616340340032 15.999 18 O 0.66686163545797 0.07819149651376 0.43383659659968 15.999 19 O 0.66686163545797 0.42180850348624 0.93383659659968 15.999 20 O 0.33313836454203 0.92180850348624 0.56616340340032 15.999 21 O 0.07365117599315 0.84660314034150 0.05696287930618 15.999 22 O 0.92634882400685 0.34660314034150 0.44303712069382 15.999 23 O 0.92634882400685 0.15339685965850 0.94303712069382 15.999 24 O 0.07365117599315 0.65339685965850 0.55696287930618 15.999 25 O 0.57431853542621 0.85584425825945 0.07931180586232 15.999 26 O 0.42568146457379 0.35584425825945 0.42068819413768 15.999 27 O 0.42568146457379 0.14415574174055 0.92068819413768 15.999 28 O 0.57431853542621 0.64415574174055 0.57931180586232 15.999 29 Si 0.40871488516901 0.99437601044707 0.67988019185598 28.085 30 Si 0.59128511483099 0.49437601044707 0.82011980814402 28.085 31 Si 0.59128511483099 0.00562398955293 0.32011980814402 28.085 32 Si 0.40871488516901 0.50562398955293 0.17988019185598 28.085 33 Si 0.29683500993384 0.74522892671614 0.52663647156815 28.085 34 Si 0.70316499006616 0.24522892671614 0.97336352843185 28.085 35 Si 0.70316499006616 0.25477107328386 0.47336352843185 28.085 36 Si 0.29683500993384 0.75477107328386 0.02663647156815 28.085 37 La 0.34732221813795 0.10687598072783 0.08931348162787 138.905 38 La 0.65267778186205 0.60687598072783 0.41068651837213 138.905 39 La 0.65267778186205 0.89312401927217 0.91068651837213 138.905 40 La 0.34732221813795 0.39312401927217 0.58931348162787 138.905 41 La 0.01943665520839 0.30973055440587 0.26801037103584 138.905 42 La 0.98056334479161 0.80973055440587 0.23198962896416 138.905 43 La 0.98056334479161 0.69026944559413 0.73198962896416 138.905 44 La 0.01943665520839 0.19026944559413 0.76801037103584 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.865800300006894 0.000000000000000 0.000000000000000 b 0.000000000000000 8.750152780000002 0.000000000000000 c -5.370288410617477 0.000000000000000 13.120086279478066 Atomic positions (fractional): 1 O 0.16181357332946 0.17298999785482 0.67349574618012 15.999 > 1 2 O 0.66181357332946 0.17298999785482 0.67349574618012 15.999 > 1 3 O 0.33818642667054 0.67298999785482 0.82650425381988 15.999 > 3 4 O 0.83818642667054 0.67298999785482 0.82650425381988 15.999 > 3 5 O 0.33818642667054 0.82701000214518 0.32650425381988 15.999 > 5 6 O 0.83818642667054 0.82701000214518 0.32650425381988 15.999 > 5 7 O 0.16181357332946 0.32701000214518 0.17349574618012 15.999 > 7 8 O 0.66181357332946 0.32701000214518 0.17349574618012 15.999 > 7 9 O 0.12139377335453 0.91512643902507 0.74203595457745 15.999 > 9 10 O 0.62139377335453 0.91512643902507 0.74203595457745 15.999 > 9 11 O 0.37860622664547 0.41512643902507 0.75796404542255 15.999 > 11 12 O 0.87860622664547 0.41512643902507 0.75796404542255 15.999 > 11 13 O 0.37860622664547 0.08487356097493 0.25796404542255 15.999 > 13 14 O 0.87860622664547 0.08487356097493 0.25796404542255 15.999 > 13 15 O 0.12139377335453 0.58487356097493 0.24203595457745 15.999 > 15 16 O 0.62139377335453 0.58487356097493 0.24203595457745 15.999 > 15 17 O 0.36340478556330 0.97089133845776 0.74853864116986 15.999 > 17 18 O 0.86340478556330 0.97089133845776 0.74853864116986 15.999 > 17 19 O 0.13659521443670 0.47089133845776 0.75146135883014 15.999 > 19 20 O 0.63659521443670 0.47089133845776 0.75146135883014 15.999 > 19 21 O 0.13659521443670 0.02910866154224 0.25146135883014 15.999 > 21 22 O 0.63659521443670 0.02910866154224 0.25146135883014 15.999 > 21 23 O 0.36340478556330 0.52910866154224 0.24853864116986 15.999 > 23 24 O 0.86340478556330 0.52910866154224 0.24853864116986 15.999 > 23 25 O 0.11911180235370 0.73801025202199 0.40572103112971 15.999 > 25 26 O 0.61911180235370 0.73801025202199 0.40572103112971 15.999 > 25 27 O 0.38088819764630 0.23801025202199 0.09427896887029 15.999 > 27 28 O 0.88088819764630 0.23801025202199 0.09427896887029 15.999 > 27 29 O 0.38088819764630 0.26198974797801 0.59427896887029 15.999 > 29 30 O 0.88088819764630 0.26198974797801 0.59427896887029 15.999 > 29 31 O 0.11911180235370 0.76198974797801 0.90572103112971 15.999 > 31 32 O 0.61911180235370 0.76198974797801 0.90572103112971 15.999 > 31 33 O 0.16656918227101 0.57819149651376 0.06616340340032 15.999 > 33 34 O 0.66656918227101 0.57819149651376 0.06616340340032 15.999 > 33 35 O 0.33343081772899 0.07819149651376 0.43383659659968 15.999 > 35 36 O 0.83343081772899 0.07819149651376 0.43383659659968 15.999 > 35 37 O 0.33343081772899 0.42180850348624 0.93383659659968 15.999 > 37 38 O 0.83343081772899 0.42180850348624 0.93383659659968 15.999 > 37 39 O 0.16656918227101 0.92180850348624 0.56616340340032 15.999 > 39 40 O 0.66656918227101 0.92180850348624 0.56616340340032 15.999 > 39 41 O 0.03682558799657 0.84660314034150 0.05696287930618 15.999 > 41 42 O 0.53682558799657 0.84660314034150 0.05696287930618 15.999 > 41 43 O 0.46317441200343 0.34660314034150 0.44303712069382 15.999 > 43 44 O 0.96317441200343 0.34660314034150 0.44303712069382 15.999 > 43 45 O 0.46317441200343 0.15339685965850 0.94303712069382 15.999 > 45 46 O 0.96317441200343 0.15339685965850 0.94303712069382 15.999 > 45 47 O 0.03682558799657 0.65339685965850 0.55696287930618 15.999 > 47 48 O 0.53682558799657 0.65339685965850 0.55696287930618 15.999 > 47 49 O 0.28715926771310 0.85584425825945 0.07931180586232 15.999 > 49 50 O 0.78715926771310 0.85584425825945 0.07931180586232 15.999 > 49 51 O 0.21284073228690 0.35584425825945 0.42068819413768 15.999 > 51 52 O 0.71284073228690 0.35584425825945 0.42068819413768 15.999 > 51 53 O 0.21284073228690 0.14415574174055 0.92068819413768 15.999 > 53 54 O 0.71284073228690 0.14415574174055 0.92068819413768 15.999 > 53 55 O 0.28715926771310 0.64415574174055 0.57931180586232 15.999 > 55 56 O 0.78715926771310 0.64415574174055 0.57931180586232 15.999 > 55 57 Si 0.20435744258451 0.99437601044707 0.67988019185598 28.085 > 57 58 Si 0.70435744258451 0.99437601044707 0.67988019185598 28.085 > 57 59 Si 0.29564255741549 0.49437601044707 0.82011980814402 28.085 > 59 60 Si 0.79564255741549 0.49437601044707 0.82011980814402 28.085 > 59 61 Si 0.29564255741549 0.00562398955293 0.32011980814402 28.085 > 61 62 Si 0.79564255741549 0.00562398955293 0.32011980814402 28.085 > 61 63 Si 0.20435744258451 0.50562398955293 0.17988019185598 28.085 > 63 64 Si 0.70435744258451 0.50562398955293 0.17988019185598 28.085 > 63 65 Si 0.14841750496692 0.74522892671614 0.52663647156815 28.085 > 65 66 Si 0.64841750496692 0.74522892671614 0.52663647156815 28.085 > 65 67 Si 0.35158249503308 0.24522892671614 0.97336352843185 28.085 > 67 68 Si 0.85158249503308 0.24522892671614 0.97336352843185 28.085 > 67 69 Si 0.35158249503308 0.25477107328386 0.47336352843185 28.085 > 69 70 Si 0.85158249503308 0.25477107328386 0.47336352843185 28.085 > 69 71 Si 0.14841750496692 0.75477107328386 0.02663647156815 28.085 > 71 72 Si 0.64841750496692 0.75477107328386 0.02663647156815 28.085 > 71 73 La 0.17366110906898 0.10687598072783 0.08931348162787 138.905 > 73 74 La 0.67366110906898 0.10687598072783 0.08931348162787 138.905 > 73 75 La 0.32633889093102 0.60687598072783 0.41068651837213 138.905 > 75 76 La 0.82633889093102 0.60687598072783 0.41068651837213 138.905 > 75 77 La 0.32633889093102 0.89312401927217 0.91068651837213 138.905 > 77 78 La 0.82633889093102 0.89312401927217 0.91068651837213 138.905 > 77 79 La 0.17366110906898 0.39312401927217 0.58931348162787 138.905 > 79 80 La 0.67366110906898 0.39312401927217 0.58931348162787 138.905 > 79 81 La 0.00971832760420 0.30973055440587 0.26801037103584 138.905 > 81 82 La 0.50971832760420 0.30973055440587 0.26801037103584 138.905 > 81 83 La 0.49028167239580 0.80973055440587 0.23198962896416 138.905 > 83 84 La 0.99028167239580 0.80973055440587 0.23198962896416 138.905 > 83 85 La 0.49028167239580 0.69026944559413 0.73198962896416 138.905 > 85 86 La 0.99028167239580 0.69026944559413 0.73198962896416 138.905 > 85 87 La 0.00971832760420 0.19026944559413 0.76801037103584 138.905 > 87 88 La 0.50971832760420 0.19026944559413 0.76801037103584 138.905 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4703667 0.0000000 -0.0042311 0.0000000 3.4384304 0.0000000 -0.0042332 0.0000000 3.4582144 -------------------------- Born effective charges -------------------------- 1 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 2 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 3 O -1.9726497 0.0021187 0.4394167 0.0119207 -2.9872995 0.6288900 0.3681650 0.6809440 -1.5667378 4 O -1.9726497 -0.0021187 0.4394167 -0.0119207 -2.9872995 -0.6288900 0.3681650 -0.6809440 -1.5667378 5 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 6 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 7 O -2.2228413 -0.4791404 0.0050038 -0.5321706 -2.3872089 0.0744678 0.0715410 0.1487485 -1.7380747 8 O -2.2228413 0.4791404 0.0050038 0.5321706 -2.3872089 -0.0744678 0.0715410 -0.1487485 -1.7380747 9 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 10 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 11 O -2.3875152 -0.2390375 -0.1658257 -0.3493721 -2.0657000 0.0631613 -0.1544342 0.1608671 -1.7545641 12 O -2.3875152 0.2390375 -0.1658257 0.3493721 -2.0657000 -0.0631613 -0.1544342 -0.1608671 -1.7545641 13 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 14 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 15 O -1.9627265 0.3111363 0.0460855 0.3196855 -1.3045931 0.3421974 0.0528946 0.3270661 -2.9156785 16 O -1.9627265 -0.3111363 0.0460855 -0.3196855 -1.3045931 -0.3421974 0.0528946 -0.3270661 -2.9156785 17 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 18 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 19 O -1.0169391 -0.1338264 0.1758622 -0.0913214 -2.2610269 0.9408999 0.1181685 0.9193778 -2.0498504 20 O -1.0169391 0.1338264 0.1758622 0.0913214 -2.2610269 -0.9408999 0.1181685 -0.9193778 -2.0498504 21 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 22 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 23 O -2.4038914 0.1911559 -0.0405414 0.1796217 -1.6568815 -0.0089217 -0.1357792 0.0497817 -2.0740677 24 O -2.4038914 -0.1911559 -0.0405414 -0.1796217 -1.6568815 0.0089217 -0.1357792 -0.0497817 -2.0740677 25 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 26 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 27 O -2.2240064 0.0021991 -0.3453629 0.0006285 -1.8106690 -0.0078105 -0.3479336 -0.0201586 -2.4027886 28 O -2.2240064 -0.0021991 -0.3453629 -0.0006285 -1.8106690 0.0078105 -0.3479336 0.0201586 -2.4027886 29 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 30 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 31 Si 2.9492243 -0.2038694 -0.0036823 -0.0942617 3.4480654 0.3875358 0.0221343 -0.0751712 3.0723486 32 Si 2.9492243 0.2038694 -0.0036823 0.0942617 3.4480654 -0.3875358 0.0221343 0.0751712 3.0723486 33 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 34 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 35 Si 2.9215045 -0.0649596 -0.2989418 0.0002256 3.0923671 0.0656911 -0.0911854 0.4288479 3.2113962 36 Si 2.9215045 0.0649596 -0.2989418 -0.0002256 3.0923671 -0.0656911 -0.0911854 -0.4288479 3.2113962 37 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 38 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 39 La 3.9142400 -0.1222236 0.0448264 -0.0406869 3.8505060 0.3288232 -0.0014881 0.4266473 4.1180308 40 La 3.9142400 0.1222236 0.0448264 0.0406869 3.8505060 -0.3288232 -0.0014881 -0.4266473 4.1180308 41 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 42 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 43 La 4.4056006 0.2113335 0.1431595 0.2204105 4.0824403 0.6376418 0.0979171 0.6220618 4.0999861 44 La 4.4056006 -0.2113335 0.1431595 -0.2204105 4.0824403 -0.6376418 0.0979171 -0.6220618 4.0999861 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 4 ] 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: 0.49, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 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 1.812 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 10.597 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.207 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.716 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.113 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 15.035 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 21.064 ( 0.000 0.000 0.000) 0.000 21.150 ( 0.000 0.000 0.000) 0.000 21.253 ( 0.000 0.000 0.000) 0.000 21.356 ( 0.000 0.000 0.000) 0.000 24.622 ( 0.000 0.000 0.000) 0.000 24.636 ( 0.000 0.000 0.000) 0.000 24.645 ( 0.000 0.000 0.000) 0.000 24.752 ( 0.000 0.000 0.000) 0.000 25.133 ( 0.000 0.000 0.000) 0.000 25.218 ( 0.000 0.000 0.000) 0.000 25.238 ( 0.000 0.000 0.000) 0.000 25.358 ( 0.000 0.000 0.000) 0.000 26.173 ( 0.000 0.000 0.000) 0.000 26.251 ( 0.000 0.000 0.000) 0.000 26.335 ( 0.000 0.000 0.000) 0.000 26.357 ( 0.000 0.000 0.000) 0.000 26.964 ( 0.000 0.000 0.000) 0.000 27.211 ( 0.000 0.000 0.000) 0.000 27.341 ( 0.000 0.000 0.000) 0.000 27.864 ( 0.000 0.000 0.000) 0.000 28.089 ( 0.000 0.000 0.000) 0.000 28.095 ( 0.000 0.000 0.000) 0.000 28.501 ( 0.000 0.000 0.000) 0.000 28.657 ( 0.000 0.000 0.000) 0.000 28.796 ( 0.000 0.000 0.000) 0.000 28.951 ( 0.000 0.000 0.000) 0.000 29.162 ( 0.000 0.000 0.000) 0.000 29.189 ( 0.000 0.000 0.000) 0.000 31.209 ( 0.000 0.000 0.000) 0.000 31.447 ( 0.000 0.000 0.000) 0.000 31.632 ( 0.000 0.000 0.000) 0.000 32.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 19.078 0.000 7.907) 20.651 0.563 ( 23.350 0.000 13.161) 26.804 1.061 ( 42.474 0.000 27.622) 50.666 1.833 ( 2.984 0.000 -1.040) 3.160 2.079 ( 2.612 0.000 -7.944) 8.362 2.285 ( 0.113 0.000 3.679) 3.680 2.382 ( -4.936 0.000 -14.144) 14.981 2.561 ( 5.821 0.000 -3.349) 6.716 2.566 ( 7.202 0.000 4.226) 8.350 2.659 ( 9.814 0.000 -2.961) 10.251 2.711 ( 0.473 0.000 2.047) 2.101 2.914 ( -0.507 0.000 -5.998) 6.019 2.969 ( 2.768 0.000 1.330) 3.071 3.101 ( 2.094 0.000 -1.935) 2.851 3.166 ( -3.385 0.000 -3.551) 4.906 3.249 ( -0.194 0.000 9.760) 9.762 3.291 ( 4.368 0.000 -5.178) 6.774 3.378 ( 0.939 0.000 -2.601) 2.765 3.477 ( 8.122 0.000 -9.597) 12.573 3.591 ( -1.763 0.000 -0.013) 1.763 3.736 ( 2.785 0.000 1.349) 3.094 3.817 ( 5.725 0.000 7.285) 9.265 3.966 ( 10.089 0.000 -11.720) 15.465 3.969 ( 0.441 0.000 -2.197) 2.241 3.995 ( -0.304 0.000 4.206) 4.217 3.997 ( -13.468 0.000 -2.405) 13.682 4.284 ( 4.062 0.000 -1.540) 4.344 4.357 ( 6.048 0.000 -1.005) 6.131 4.373 ( 1.410 0.000 5.020) 5.214 4.537 ( -0.308 0.000 -2.329) 2.349 4.645 ( 4.446 0.000 8.725) 9.792 4.672 ( 5.384 0.000 -5.556) 7.737 4.741 ( 11.861 0.000 -17.549) 21.182 4.930 ( 7.729 0.000 -0.607) 7.753 4.960 ( 4.119 0.000 0.043) 4.119 5.055 ( -6.851 0.000 -7.309) 10.018 5.372 ( 11.032 0.000 3.558) 11.591 5.416 ( 5.621 0.000 0.992) 5.708 5.468 ( 6.918 0.000 -6.212) 9.298 5.604 ( 4.297 0.000 0.252) 4.304 5.768 ( -1.833 0.000 2.989) 3.506 5.879 ( 6.076 0.000 0.085) 6.077 6.013 ( 0.269 0.000 -0.592) 0.650 6.026 ( 11.413 0.000 13.346) 17.560 6.200 ( 6.248 0.000 -3.244) 7.040 6.333 ( -1.155 0.000 -4.198) 4.354 6.487 ( -0.440 0.000 -3.629) 3.655 6.519 ( 5.471 0.000 7.170) 9.019 6.883 ( -0.551 0.000 5.177) 5.206 6.963 ( 4.896 0.000 2.217) 5.375 7.195 ( 7.445 0.000 0.744) 7.482 7.287 ( 6.870 0.000 -4.579) 8.256 7.448 ( 7.373 0.000 10.031) 12.449 7.491 ( -5.348 0.000 -8.226) 9.811 8.061 ( -6.713 0.000 -6.142) 9.099 8.142 ( -2.088 0.000 0.871) 2.263 8.166 ( -5.873 0.000 -5.481) 8.033 8.293 ( -14.600 0.000 21.473) 25.967 8.576 ( 3.757 0.000 -2.486) 4.505 8.606 ( -1.870 0.000 -0.481) 1.930 8.608 ( -2.339 0.000 -3.574) 4.271 9.039 ( -1.511 0.000 -9.889) 10.004 9.048 ( -4.198 0.000 12.275) 12.973 9.186 ( 1.868 0.000 -4.869) 5.215 9.269 ( 1.770 0.000 7.743) 7.943 9.446 ( 5.662 0.000 -2.053) 6.022 9.556 ( 0.941 0.000 2.955) 3.101 9.567 ( 0.004 0.000 -0.013) 0.013 9.723 ( 5.741 0.000 -3.237) 6.590 10.003 ( -3.092 0.000 -2.061) 3.716 10.408 ( -14.434 0.000 -2.116) 14.588 10.452 ( -7.918 0.000 -0.767) 7.955 11.092 ( -1.103 0.000 1.364) 1.754 11.133 ( 6.796 0.000 -7.781) 10.331 11.463 ( 5.991 0.000 5.326) 8.016 11.684 ( 7.478 0.000 -2.401) 7.854 12.507 ( -5.061 0.000 1.911) 5.410 12.788 ( -9.302 0.000 1.032) 9.359 13.093 ( -3.390 0.000 -7.263) 8.016 13.117 ( -1.150 0.000 -1.560) 1.938 13.227 ( 2.004 0.000 -0.091) 2.006 13.252 ( 0.625 0.000 1.952) 2.049 13.481 ( -9.845 0.000 24.719) 26.608 13.507 ( -1.947 0.000 -0.054) 1.948 13.565 ( 4.549 0.000 -0.113) 4.550 13.693 ( -3.516 0.000 4.086) 5.391 14.048 ( -4.843 0.000 18.198) 18.831 14.104 ( -1.183 0.000 1.370) 1.810 14.139 ( 1.930 0.000 3.587) 4.073 14.388 ( 1.047 0.000 1.923) 2.189 14.514 ( 4.858 0.000 -1.567) 5.105 14.831 ( 14.116 0.000 -35.691) 38.381 15.065 ( 0.233 0.000 6.889) 6.893 15.231 ( 2.105 0.000 -11.211) 11.407 15.390 ( 0.179 0.000 5.695) 5.698 15.721 ( -3.092 0.000 3.224) 4.468 15.886 ( -2.948 0.000 -5.272) 6.041 16.094 ( -3.682 0.000 0.459) 3.710 16.380 ( -6.521 0.000 1.947) 6.805 16.461 ( -5.073 0.000 -0.584) 5.106 21.061 ( -0.164 0.000 -0.199) 0.257 21.142 ( -1.002 0.000 0.395) 1.077 21.240 ( -1.698 0.000 0.700) 1.837 21.354 ( -0.197 0.000 -0.286) 0.347 24.608 ( -1.876 0.000 -0.434) 1.926 24.662 ( 0.557 0.000 1.896) 1.976 24.772 ( 1.782 0.000 -0.552) 1.865 24.773 ( -3.313 0.000 -1.494) 3.634 25.196 ( 6.169 0.000 -0.173) 6.171 25.247 ( 4.317 0.000 -1.831) 4.689 25.437 ( 8.648 0.000 -3.194) 9.219 25.766 ( -1.008 0.000 11.613) 11.657 26.249 ( 2.380 0.000 -3.501) 4.234 26.386 ( 3.685 0.000 -1.221) 3.882 26.408 ( 5.803 0.000 1.931) 6.116 26.747 ( -13.241 0.000 38.501) 40.714 27.226 ( 1.579 0.000 -0.242) 1.598 27.319 ( -2.152 0.000 -0.329) 2.177 27.850 ( 3.317 0.000 -11.024) 11.512 27.922 ( 24.960 0.000 -59.818) 64.817 28.035 ( -3.568 0.000 -4.899) 6.061 28.095 ( -2.751 0.000 6.023) 6.621 28.509 ( 0.060 0.000 2.821) 2.822 28.719 ( -2.860 0.000 5.997) 6.644 28.900 ( -3.389 0.000 -3.646) 4.978 29.148 ( -3.336 0.000 1.574) 3.688 29.192 ( 2.655 0.000 -2.768) 3.836 29.283 ( 3.163 0.000 -0.175) 3.168 31.210 ( -0.680 0.000 1.985) 2.098 31.507 ( -13.980 0.000 27.043) 30.442 31.566 ( -4.404 0.000 -4.773) 6.494 32.034 ( -6.887 0.000 6.484) 9.459 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 18.051 0.000 8.712) 20.044 1.033 ( 19.905 0.000 6.077) 20.812 1.800 ( 9.948 0.000 15.736) 18.616 2.007 ( -2.405 0.000 -8.655) 8.983 2.048 ( 25.875 0.000 10.712) 28.004 2.195 ( -3.753 0.000 -10.380) 11.038 2.335 ( 0.468 0.000 3.381) 3.413 2.588 ( -3.058 0.000 -1.423) 3.373 2.682 ( -3.069 0.000 2.120) 3.730 2.744 ( 11.546 0.000 -0.960) 11.586 2.753 ( 1.997 0.000 -4.317) 4.756 2.939 ( 7.531 0.000 -8.080) 11.046 3.013 ( 2.884 0.000 -1.348) 3.183 3.065 ( -4.989 0.000 3.735) 6.232 3.182 ( 4.587 0.000 -0.613) 4.627 3.299 ( 3.717 0.000 -12.096) 12.654 3.310 ( -0.581 0.000 2.161) 2.237 3.468 ( 5.348 0.000 8.096) 9.703 3.514 ( -4.435 0.000 1.755) 4.770 3.614 ( 8.394 0.000 -5.514) 10.043 3.662 ( -12.326 0.000 0.134) 12.327 3.781 ( -5.561 0.000 0.046) 5.561 3.798 ( -9.876 0.000 -12.506) 15.935 3.912 ( -2.988 0.000 1.352) 3.280 4.097 ( 7.327 0.000 3.247) 8.014 4.130 ( 5.196 0.000 8.315) 9.805 4.407 ( 13.038 0.000 -1.178) 13.091 4.452 ( 3.965 0.000 -0.949) 4.077 4.510 ( 2.121 0.000 -4.919) 5.357 4.516 ( 7.939 0.000 9.076) 12.058 4.691 ( 2.593 0.000 -8.349) 8.742 4.830 ( 6.688 0.000 3.602) 7.596 4.919 ( -1.947 0.000 -2.862) 3.462 4.926 ( 17.080 0.000 -7.599) 18.694 5.111 ( 12.582 0.000 -0.538) 12.594 5.124 ( 15.943 0.000 -3.299) 16.281 5.505 ( 2.533 0.000 -0.231) 2.544 5.587 ( 3.926 0.000 4.966) 6.331 5.666 ( 9.906 0.000 -3.957) 10.667 5.672 ( 10.209 0.000 3.820) 10.900 5.787 ( 4.569 0.000 4.527) 6.432 6.020 ( 7.040 0.000 2.151) 7.361 6.043 ( 3.530 0.000 -0.428) 3.556 6.227 ( 3.050 0.000 -5.481) 6.273 6.282 ( -2.013 0.000 1.717) 2.646 6.380 ( 12.986 0.000 9.676) 16.195 6.576 ( 11.232 0.000 -1.520) 11.335 6.716 ( 10.879 0.000 6.491) 12.668 6.918 ( 2.439 0.000 3.674) 4.410 7.082 ( 0.405 0.000 -3.414) 3.438 7.322 ( 3.078 0.000 -6.392) 7.095 7.379 ( 6.023 0.000 -6.573) 8.915 7.438 ( 13.408 0.000 4.500) 14.143 7.623 ( 4.441 0.000 5.458) 7.037 7.926 ( -1.022 0.000 -10.230) 10.281 8.069 ( -0.680 0.000 0.060) 0.682 8.075 ( -7.257 0.000 1.971) 7.520 8.182 ( -5.622 0.000 2.862) 6.309 8.535 ( -1.689 0.000 -4.133) 4.464 8.550 ( -2.483 0.000 -2.533) 3.547 8.596 ( -0.066 0.000 -2.016) 2.017 8.946 ( -0.404 0.000 -9.411) 9.420 9.048 ( -5.275 0.000 9.247) 10.645 9.159 ( -1.587 0.000 -3.563) 3.901 9.266 ( -8.746 0.000 14.481) 16.917 9.484 ( -0.338 0.000 1.308) 1.351 9.622 ( 0.021 0.000 8.029) 8.029 9.670 ( 8.062 0.000 1.212) 8.153 9.799 ( 4.518 0.000 -4.126) 6.118 9.890 ( -7.009 0.000 -2.799) 7.548 10.134 ( -11.852 0.000 -2.518) 12.117 10.278 ( -9.538 0.000 -0.142) 9.539 11.110 ( 0.335 0.000 6.636) 6.644 11.119 ( 0.222 0.000 -9.343) 9.346 11.653 ( 8.287 0.000 3.875) 9.148 11.811 ( 8.421 0.000 -4.797) 9.692 12.412 ( -5.616 0.000 0.091) 5.617 12.578 ( -12.587 0.000 0.046) 12.587 12.957 ( -3.816 0.000 -8.617) 9.424 13.085 ( -1.002 0.000 -1.209) 1.571 13.271 ( 2.173 0.000 1.478) 2.627 13.286 ( 0.687 0.000 1.859) 1.982 13.476 ( -3.811 0.000 7.193) 8.140 13.484 ( -0.911 0.000 0.685) 1.140 13.663 ( -3.144 0.000 4.254) 5.290 13.665 ( 7.065 0.000 -0.960) 7.130 14.069 ( -3.842 0.000 2.509) 4.588 14.085 ( -0.116 0.000 4.949) 4.950 14.235 ( 4.979 0.000 2.825) 5.724 14.430 ( 1.360 0.000 2.754) 3.071 14.618 ( 7.336 0.000 -2.200) 7.659 14.812 ( 5.438 0.000 -16.957) 17.808 15.136 ( 0.411 0.000 9.752) 9.761 15.198 ( 2.697 0.000 -8.645) 9.056 15.423 ( -1.967 0.000 6.065) 6.376 15.684 ( -3.831 0.000 4.903) 6.222 15.771 ( -3.985 0.000 -6.975) 8.033 15.979 ( -7.620 0.000 -2.385) 7.985 16.253 ( -9.336 0.000 4.130) 10.208 16.322 ( -8.957 0.000 -1.414) 9.068 21.059 ( 0.091 0.000 -0.112) 0.144 21.124 ( -1.219 0.000 0.483) 1.311 21.204 ( -2.671 0.000 0.773) 2.781 21.343 ( -0.660 0.000 -0.598) 0.890 24.581 ( -0.893 0.000 0.252) 0.927 24.652 ( -3.578 0.000 1.284) 3.801 24.730 ( 0.579 0.000 -1.292) 1.416 24.792 ( 0.754 0.000 -0.807) 1.105 25.337 ( 8.767 0.000 0.219) 8.769 25.348 ( 8.103 0.000 -3.085) 8.670 25.587 ( 9.950 0.000 -3.907) 10.690 25.849 ( 2.080 0.000 6.377) 6.707 26.301 ( 6.318 0.000 -4.229) 7.603 26.472 ( 6.723 0.000 -1.677) 6.929 26.549 ( 7.443 0.000 1.903) 7.683 26.807 ( -4.082 0.000 18.801) 19.239 27.255 ( 1.909 0.000 -1.420) 2.379 27.268 ( -2.788 0.000 -0.039) 2.788 27.827 ( 2.443 0.000 -9.101) 9.423 27.890 ( -9.748 0.000 0.444) 9.759 27.925 ( 9.128 0.000 -22.524) 24.304 28.090 ( -0.916 0.000 2.014) 2.212 28.556 ( 1.821 0.000 4.872) 5.201 28.699 ( -2.543 0.000 0.618) 2.617 28.801 ( -4.273 0.000 -1.766) 4.624 29.075 ( -4.854 0.000 0.025) 4.854 29.237 ( 3.677 0.000 -1.460) 3.956 29.347 ( 3.199 0.000 1.010) 3.354 31.212 ( -1.243 0.000 3.115) 3.354 31.432 ( -5.287 0.000 -4.991) 7.271 31.435 ( -9.107 0.000 11.008) 14.287 31.902 ( -12.103 0.000 5.390) 13.249 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 13.952 0.000 7.733) 15.952 1.419 ( 19.306 0.000 2.991) 19.536 1.933 ( 2.692 0.000 -7.314) 7.794 1.970 ( 3.570 0.000 3.348) 4.894 2.119 ( 0.980 0.000 -0.224) 1.005 2.350 ( -1.898 0.000 5.909) 6.206 2.520 ( -2.308 0.000 -2.109) 3.126 2.522 ( 1.076 0.000 -0.766) 1.321 2.599 ( 5.693 0.000 8.286) 10.053 2.724 ( -0.984 0.000 -3.947) 4.068 2.938 ( -7.486 0.000 4.429) 8.698 2.969 ( 3.839 0.000 5.712) 6.883 2.988 ( 4.078 0.000 -7.633) 8.654 3.113 ( 5.265 0.000 0.770) 5.321 3.155 ( -3.617 0.000 -7.257) 8.108 3.295 ( 1.938 0.000 -10.431) 10.610 3.304 ( -0.144 0.000 3.233) 3.236 3.399 ( -11.933 0.000 -15.685) 19.708 3.426 ( -11.072 0.000 3.217) 11.529 3.500 ( -1.663 0.000 -1.574) 2.290 3.615 ( 1.537 0.000 12.951) 13.042 3.715 ( -1.629 0.000 2.511) 2.993 3.756 ( -8.870 0.000 -5.140) 10.252 3.767 ( 6.619 0.000 -0.847) 6.673 4.252 ( 3.836 0.000 2.812) 4.756 4.261 ( 6.441 0.000 3.842) 7.500 4.400 ( -3.731 0.000 -3.030) 4.807 4.554 ( 1.608 0.000 -8.431) 8.583 4.625 ( 8.611 0.000 -1.848) 8.807 4.706 ( -1.759 0.000 12.517) 12.640 4.814 ( 17.967 0.000 1.307) 18.014 4.918 ( 2.360 0.000 -2.161) 3.200 4.991 ( 12.353 0.000 -0.789) 12.379 5.141 ( 8.958 0.000 -3.315) 9.552 5.349 ( 7.403 0.000 -9.078) 11.713 5.354 ( 12.487 0.000 -1.628) 12.592 5.608 ( -1.502 0.000 3.662) 3.958 5.627 ( 13.235 0.000 5.339) 14.271 5.743 ( -0.505 0.000 4.919) 4.944 5.927 ( 16.159 0.000 -0.916) 16.185 6.007 ( 10.115 0.000 1.955) 10.303 6.082 ( 1.931 0.000 -0.893) 2.127 6.141 ( 4.293 0.000 1.542) 4.561 6.237 ( -3.975 0.000 2.265) 4.575 6.421 ( 19.886 0.000 -0.938) 19.908 6.631 ( 10.272 0.000 -0.082) 10.273 6.801 ( 12.664 0.000 1.019) 12.705 6.885 ( -2.265 0.000 -2.106) 3.093 7.047 ( 7.775 0.000 4.164) 8.820 7.061 ( 10.844 0.000 0.342) 10.850 7.307 ( 1.738 0.000 -6.962) 7.175 7.607 ( 13.147 0.000 3.563) 13.621 7.668 ( 7.217 0.000 0.401) 7.228 7.672 ( -2.318 0.000 3.331) 4.059 7.894 ( 3.902 0.000 -7.095) 8.097 7.934 ( -7.046 0.000 0.068) 7.046 8.119 ( 5.103 0.000 0.686) 5.149 8.139 ( 0.035 0.000 -1.634) 1.634 8.484 ( -3.031 0.000 -0.399) 3.058 8.499 ( 1.021 0.000 -3.852) 3.985 8.563 ( -1.290 0.000 -1.667) 2.108 8.886 ( 0.365 0.000 -6.306) 6.317 9.006 ( -4.532 0.000 4.987) 6.738 9.076 ( -4.604 0.000 -2.571) 5.273 9.217 ( -8.337 0.000 13.832) 16.150 9.480 ( -1.037 0.000 1.215) 1.597 9.610 ( -8.847 0.000 5.370) 10.349 9.732 ( -7.722 0.000 -3.384) 8.432 9.749 ( -3.544 0.000 -2.444) 4.305 9.826 ( 6.344 0.000 0.863) 6.403 10.012 ( -0.074 0.000 -1.175) 1.177 10.127 ( -6.821 0.000 1.062) 6.903 11.039 ( -1.039 0.000 -8.463) 8.526 11.204 ( 2.826 0.000 9.352) 9.770 11.781 ( 3.800 0.000 0.793) 3.882 11.904 ( 5.859 0.000 -5.951) 8.351 12.313 ( -5.173 0.000 0.305) 5.182 12.363 ( -10.190 0.000 -0.122) 10.191 12.854 ( -1.457 0.000 -5.022) 5.229 13.064 ( -0.634 0.000 -0.327) 0.714 13.301 ( -0.016 0.000 1.299) 1.299 13.326 ( 1.122 0.000 4.418) 4.558 13.457 ( -0.460 0.000 -1.052) 1.148 13.463 ( -1.642 0.000 -1.038) 1.942 13.634 ( -2.959 0.000 2.430) 3.828 13.809 ( 9.333 0.000 -3.505) 9.970 14.026 ( -3.372 0.000 6.440) 7.270 14.129 ( 1.660 0.000 2.789) 3.245 14.338 ( 4.888 0.000 -0.456) 4.910 14.473 ( 1.568 0.000 1.125) 1.929 14.725 ( 4.723 0.000 -0.674) 4.771 14.789 ( 3.776 0.000 -10.477) 11.137 15.199 ( 2.647 0.000 -4.955) 5.618 15.220 ( 1.489 0.000 7.957) 8.095 15.396 ( -5.580 0.000 5.569) 7.884 15.656 ( -2.651 0.000 -5.975) 6.537 15.670 ( -1.358 0.000 4.290) 4.499 15.810 ( -7.512 0.000 -3.425) 8.256 16.100 ( -10.546 0.000 3.875) 11.235 16.126 ( -10.482 0.000 -1.840) 10.642 21.064 ( 0.480 0.000 -0.105) 0.491 21.108 ( -0.879 0.000 0.511) 1.017 21.160 ( -2.542 0.000 0.693) 2.635 21.321 ( -1.054 0.000 -0.773) 1.307 24.574 ( -0.516 0.000 0.655) 0.834 24.591 ( -2.792 0.000 -0.121) 2.794 24.737 ( 0.186 0.000 -0.133) 0.229 24.789 ( -0.278 0.000 -0.838) 0.883 25.470 ( 6.845 0.000 -2.648) 7.340 25.506 ( 8.590 0.000 1.059) 8.655 25.733 ( 8.433 0.000 -2.830) 8.895 25.922 ( 1.789 0.000 3.099) 3.578 26.405 ( 7.830 0.000 -3.868) 8.733 26.597 ( 7.558 0.000 -1.459) 7.697 26.694 ( 6.266 0.000 1.848) 6.532 26.861 ( -2.604 0.000 10.608) 10.923 27.237 ( -0.737 0.000 1.975) 2.108 27.264 ( 1.095 0.000 -3.693) 3.852 27.710 ( -10.688 0.000 3.359) 11.203 27.799 ( 1.544 0.000 -8.608) 8.745 27.922 ( 3.349 0.000 -8.438) 9.079 28.092 ( -0.018 0.000 0.643) 0.643 28.623 ( -3.116 0.000 -5.232) 6.089 28.641 ( 2.852 0.000 5.424) 6.128 28.743 ( -2.813 0.000 2.923) 4.057 28.982 ( -4.849 0.000 -0.482) 4.873 29.300 ( 3.797 0.000 -0.530) 3.833 29.409 ( 2.663 0.000 0.741) 2.765 31.211 ( -1.385 0.000 3.019) 3.322 31.319 ( -3.289 0.000 -3.151) 4.555 31.349 ( -6.569 0.000 5.056) 8.289 31.694 ( -12.421 0.000 1.455) 12.506 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.861 0.000 4.177) 8.032 1.790 ( 17.001 0.000 3.669) 17.393 1.994 ( 1.447 0.000 -3.897) 4.157 2.031 ( 11.172 0.000 -0.988) 11.216 2.199 ( 2.465 0.000 6.711) 7.149 2.350 ( -7.639 0.000 -5.101) 9.186 2.381 ( 0.491 0.000 6.095) 6.115 2.467 ( -1.320 0.000 -3.507) 3.748 2.674 ( -2.072 0.000 -0.310) 2.095 2.761 ( 0.644 0.000 2.724) 2.799 2.778 ( -12.672 0.000 0.845) 12.700 2.894 ( -13.827 0.000 -8.126) 16.038 3.000 ( 1.667 0.000 4.835) 5.115 3.015 ( -6.183 0.000 -3.151) 6.940 3.076 ( -2.954 0.000 -10.445) 10.854 3.174 ( -0.274 0.000 -14.505) 14.507 3.176 ( -0.611 0.000 1.835) 1.934 3.324 ( -7.371 0.000 5.626) 9.273 3.409 ( 5.147 0.000 3.847) 6.425 3.531 ( 2.453 0.000 -2.256) 3.333 3.582 ( -4.220 0.000 -5.331) 6.798 3.743 ( 5.990 0.000 4.409) 7.438 3.799 ( 3.150 0.000 13.981) 14.331 3.872 ( 3.871 0.000 0.654) 3.926 4.297 ( -3.074 0.000 -3.349) 4.546 4.341 ( 3.439 0.000 3.247) 4.730 4.366 ( 1.595 0.000 -0.524) 1.679 4.495 ( 1.441 0.000 -10.336) 10.436 4.683 ( -6.885 0.000 7.397) 10.105 4.762 ( 5.812 0.000 2.515) 6.333 4.925 ( 2.449 0.000 -3.738) 4.469 5.141 ( 11.621 0.000 7.464) 13.811 5.181 ( -3.848 0.000 1.266) 4.051 5.246 ( 12.751 0.000 -0.845) 12.779 5.329 ( 1.787 0.000 -8.899) 9.077 5.496 ( 4.123 0.000 -1.335) 4.334 5.597 ( -2.078 0.000 0.788) 2.222 5.729 ( -2.452 0.000 2.420) 3.445 5.971 ( 14.346 0.000 2.398) 14.545 6.107 ( 0.252 0.000 0.577) 0.629 6.132 ( 3.274 0.000 1.772) 3.722 6.176 ( 7.330 0.000 -1.825) 7.553 6.180 ( -1.185 0.000 -0.368) 1.241 6.296 ( 13.338 0.000 -0.179) 13.339 6.722 ( 2.190 0.000 -4.266) 4.795 6.784 ( 16.497 0.000 0.865) 16.519 6.930 ( 7.993 0.000 0.103) 7.994 7.040 ( 11.381 0.000 1.707) 11.508 7.125 ( -2.488 0.000 -0.020) 2.488 7.216 ( 4.841 0.000 4.841) 6.846 7.396 ( 5.817 0.000 -1.445) 5.994 7.618 ( -2.347 0.000 0.210) 2.357 7.686 ( -3.688 0.000 0.751) 3.764 7.785 ( 4.518 0.000 2.554) 5.190 7.838 ( -3.706 0.000 -4.288) 5.668 7.934 ( 4.393 0.000 -4.020) 5.955 8.165 ( 3.028 0.000 0.543) 3.076 8.247 ( 8.071 0.000 -1.144) 8.152 8.438 ( -3.330 0.000 2.735) 4.309 8.508 ( 2.875 0.000 -3.946) 4.882 8.547 ( 0.515 0.000 -0.529) 0.738 8.852 ( -0.970 0.000 -3.682) 3.807 8.968 ( -2.429 0.000 2.609) 3.565 8.982 ( -2.822 0.000 -0.466) 2.860 9.162 ( -6.560 0.000 8.022) 10.363 9.431 ( -10.605 0.000 3.542) 11.181 9.469 ( -0.053 0.000 -2.672) 2.673 9.547 ( -7.179 0.000 -3.385) 7.937 9.713 ( -1.228 0.000 0.856) 1.496 9.932 ( 3.610 0.000 1.754) 4.013 10.020 ( 0.753 0.000 -0.934) 1.199 10.046 ( -3.011 0.000 1.174) 3.231 10.968 ( -0.701 0.000 -5.344) 5.390 11.324 ( 2.608 0.000 6.900) 7.377 11.832 ( 2.074 0.000 -0.093) 2.076 11.943 ( 2.970 0.000 -4.498) 5.390 12.208 ( -6.520 0.000 0.015) 6.520 12.233 ( -3.570 0.000 0.540) 3.611 12.821 ( 0.096 0.000 -1.632) 1.635 13.054 ( -0.417 0.000 -0.055) 0.421 13.317 ( 0.884 0.000 1.326) 1.594 13.363 ( -0.570 0.000 3.406) 3.454 13.412 ( -2.353 0.000 -1.917) 3.035 13.463 ( 2.497 0.000 -1.402) 2.863 13.589 ( -2.940 0.000 0.157) 2.945 13.884 ( 1.945 0.000 -3.998) 4.446 14.091 ( 3.904 0.000 6.592) 7.662 14.178 ( 1.581 0.000 1.458) 2.150 14.403 ( 3.087 0.000 -1.656) 3.503 14.503 ( 1.472 0.000 -0.504) 1.556 14.762 ( -0.689 0.000 0.735) 1.007 14.799 ( 3.517 0.000 -5.424) 6.464 15.213 ( 1.572 0.000 -1.811) 2.399 15.321 ( 4.548 0.000 4.164) 6.167 15.322 ( -5.599 0.000 3.737) 6.731 15.593 ( -0.169 0.000 -4.332) 4.335 15.670 ( -5.500 0.000 -1.328) 5.658 15.694 ( 0.993 0.000 2.583) 2.768 15.932 ( -8.425 0.000 -1.632) 8.582 15.936 ( -8.899 0.000 1.979) 9.117 21.073 ( 0.658 0.000 -0.350) 0.745 21.100 ( -0.376 0.000 0.351) 0.515 21.126 ( -1.714 0.000 0.711) 1.856 21.297 ( -0.866 0.000 -0.582) 1.043 24.553 ( -1.222 0.000 -0.172) 1.234 24.569 ( -0.400 0.000 0.418) 0.579 24.734 ( -0.245 0.000 -0.042) 0.248 24.776 ( -0.414 0.000 -0.572) 0.706 25.548 ( 3.287 0.000 -1.357) 3.556 25.649 ( 5.467 0.000 1.298) 5.619 25.844 ( 5.021 0.000 -1.398) 5.212 25.959 ( 0.720 0.000 0.678) 0.989 26.513 ( 5.912 0.000 -2.376) 6.372 26.708 ( 5.177 0.000 -1.235) 5.322 26.791 ( 2.652 0.000 1.387) 2.993 26.866 ( -2.675 0.000 4.712) 5.418 27.247 ( 0.716 0.000 -4.229) 4.289 27.272 ( 1.438 0.000 3.691) 3.961 27.569 ( -7.068 0.000 3.773) 8.012 27.753 ( 0.281 0.000 -7.144) 7.150 27.925 ( 0.927 0.000 -1.426) 1.701 28.098 ( 0.208 0.000 0.186) 0.279 28.537 ( -1.991 0.000 -3.873) 4.355 28.724 ( -1.427 0.000 1.907) 2.382 28.732 ( 2.990 0.000 4.107) 5.080 28.894 ( -4.017 0.000 -0.980) 4.135 29.359 ( 2.549 0.000 0.006) 2.549 29.452 ( 1.513 0.000 0.311) 1.545 31.208 ( -0.832 0.000 1.848) 2.027 31.272 ( -0.048 0.000 -1.049) 1.050 31.279 ( -3.625 0.000 1.946) 4.114 31.496 ( -8.732 0.000 -0.687) 8.759 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 -0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.659 ( -0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 -0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 -0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 -0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.627 ( -0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 -0.000) 0.000 5.317 ( 0.000 0.000 -0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.550 ( -0.000 0.000 -0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 -0.000) 0.000 6.115 ( -0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 -0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 -0.000) 0.000 7.423 ( -0.000 0.000 0.000) 0.000 7.625 ( -0.000 0.000 0.000) 0.000 7.659 ( -0.000 0.000 -0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.355 ( -0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.807 ( -0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.705 ( -0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.941 ( 0.000 0.000 0.000) 0.000 11.378 ( 0.000 0.000 -0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 13.049 ( 0.000 0.000 -0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.364 ( -0.000 0.000 0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 14.167 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.404 ( 0.000 0.000 0.000) 0.000 15.567 ( -0.000 0.000 0.000) 0.000 15.610 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 21.079 ( 0.000 0.000 0.000) 0.000 21.098 ( 0.000 0.000 0.000) 0.000 21.111 ( 0.000 0.000 -0.000) 0.000 21.286 ( 0.000 0.000 0.000) 0.000 24.542 ( 0.000 0.000 0.000) 0.000 24.567 ( 0.000 0.000 0.000) 0.000 24.731 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 -0.000) 0.000 25.573 ( 0.000 0.000 0.000) 0.000 25.708 ( 0.000 0.000 0.000) 0.000 25.886 ( 0.000 0.000 0.000) 0.000 25.966 ( 0.000 0.000 0.000) 0.000 26.564 ( 0.000 0.000 0.000) 0.000 26.754 ( 0.000 0.000 0.000) 0.000 26.817 ( 0.000 0.000 0.000) 0.000 26.855 ( 0.000 0.000 -0.000) 0.000 27.238 ( 0.000 0.000 0.000) 0.000 27.307 ( 0.000 0.000 0.000) 0.000 27.517 ( 0.000 0.000 0.000) 0.000 27.723 ( 0.000 0.000 -0.000) 0.000 27.929 ( 0.000 0.000 0.000) 0.000 28.100 ( 0.000 0.000 0.000) 0.000 28.503 ( 0.000 0.000 -0.000) 0.000 28.718 ( 0.000 0.000 0.000) 0.000 28.801 ( 0.000 0.000 0.000) 0.000 28.827 ( -0.000 0.000 -0.000) 0.000 29.384 ( 0.000 0.000 0.000) 0.000 29.467 ( 0.000 0.000 0.000) 0.000 31.208 ( 0.000 0.000 0.000) 0.000 31.252 ( 0.000 0.000 0.000) 0.000 31.282 ( 0.000 0.000 0.000) 0.000 31.398 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.000 13.702 0.000) 13.702 0.573 ( 0.000 29.822 0.000) 29.822 0.855 ( 0.000 38.294 0.000) 38.294 1.719 ( 0.000 -8.065 0.000) 8.065 1.955 ( 0.000 -10.644 0.000) 10.644 2.089 ( 0.000 -18.288 0.000) 18.288 2.238 ( 0.000 -16.354 0.000) 16.354 2.441 ( 0.000 -9.465 0.000) 9.465 2.485 ( 0.000 -2.971 0.000) 2.971 2.569 ( 0.000 8.978 0.000) 8.978 2.645 ( 0.000 -12.791 0.000) 12.791 2.972 ( 0.000 -2.343 0.000) 2.343 2.976 ( 0.000 -0.823 0.000) 0.823 3.047 ( 0.000 14.644 0.000) 14.644 3.176 ( 0.000 -8.379 0.000) 8.379 3.242 ( 0.000 -3.712 0.000) 3.712 3.246 ( 0.000 6.936 0.000) 6.936 3.376 ( 0.000 -3.703 0.000) 3.703 3.441 ( 0.000 -1.442 0.000) 1.442 3.683 ( 0.000 3.680 0.000) 3.680 3.752 ( 0.000 5.504 0.000) 5.504 3.784 ( 0.000 17.674 0.000) 17.674 3.867 ( 0.000 8.250 0.000) 8.250 3.949 ( 0.000 0.237 0.000) 0.237 4.008 ( 0.000 -4.479 0.000) 4.479 4.170 ( 0.000 -0.736 0.000) 0.736 4.204 ( 0.000 -1.607 0.000) 1.607 4.228 ( 0.000 -7.108 0.000) 7.108 4.419 ( 0.000 -1.707 0.000) 1.707 4.482 ( 0.000 -3.520 0.000) 3.520 4.574 ( 0.000 -0.821 0.000) 0.821 4.638 ( 0.000 -0.487 0.000) 0.487 4.706 ( 0.000 -4.995 0.000) 4.995 4.834 ( 0.000 6.082 0.000) 6.082 4.973 ( 0.000 3.951 0.000) 3.951 5.200 ( 0.000 2.673 0.000) 2.673 5.300 ( 0.000 2.455 0.000) 2.455 5.435 ( 0.000 2.576 0.000) 2.576 5.469 ( 0.000 2.010 0.000) 2.010 5.494 ( 0.000 1.475 0.000) 1.475 5.780 ( 0.000 2.828 0.000) 2.828 5.802 ( 0.000 1.960 0.000) 1.960 5.805 ( 0.000 -2.279 0.000) 2.279 5.937 ( 0.000 -5.381 0.000) 5.381 6.252 ( 0.000 9.512 0.000) 9.512 6.321 ( 0.000 0.681 0.000) 0.681 6.444 ( 0.000 4.014 0.000) 4.014 6.454 ( 0.000 5.653 0.000) 5.653 6.824 ( 0.000 -1.430 0.000) 1.430 6.989 ( 0.000 -1.023 0.000) 1.023 7.038 ( 0.000 4.933 0.000) 4.933 7.215 ( 0.000 -1.807 0.000) 1.807 7.296 ( 0.000 2.433 0.000) 2.433 7.456 ( 0.000 1.167 0.000) 1.167 7.803 ( 0.000 -15.005 0.000) 15.005 8.144 ( 0.000 -6.873 0.000) 6.873 8.202 ( 0.000 1.720 0.000) 1.720 8.521 ( 0.000 1.902 0.000) 1.902 8.599 ( 0.000 -1.932 0.000) 1.932 8.612 ( 0.000 4.835 0.000) 4.835 8.741 ( 0.000 5.908 0.000) 5.908 8.975 ( 0.000 9.812 0.000) 9.812 9.107 ( 0.000 -6.083 0.000) 6.083 9.162 ( 0.000 2.474 0.000) 2.474 9.179 ( 0.000 1.852 0.000) 1.852 9.328 ( 0.000 -1.327 0.000) 1.327 9.562 ( 0.000 -8.345 0.000) 8.345 9.568 ( 0.000 5.932 0.000) 5.932 9.926 ( 0.000 -10.873 0.000) 10.873 10.163 ( 0.000 3.803 0.000) 3.803 10.381 ( 0.000 -12.025 0.000) 12.025 10.631 ( 0.000 0.774 0.000) 0.774 10.914 ( 0.000 5.112 0.000) 5.112 11.194 ( 0.000 -1.848 0.000) 1.848 11.423 ( 0.000 2.341 0.000) 2.341 11.602 ( 0.000 -1.489 0.000) 1.489 12.534 ( 0.000 0.117 0.000) 0.117 12.910 ( 0.000 2.231 0.000) 2.231 13.093 ( 0.000 3.872 0.000) 3.872 13.115 ( 0.000 -2.718 0.000) 2.718 13.183 ( 0.000 -2.676 0.000) 2.676 13.281 ( 0.000 2.661 0.000) 2.661 13.453 ( 0.000 -4.136 0.000) 4.136 13.532 ( 0.000 -0.160 0.000) 0.160 13.588 ( 0.000 -8.312 0.000) 8.312 13.646 ( 0.000 -5.916 0.000) 5.916 13.835 ( 0.000 2.466 0.000) 2.466 14.186 ( 0.000 5.619 0.000) 5.619 14.335 ( 0.000 -1.030 0.000) 1.030 14.450 ( 0.000 3.658 0.000) 3.658 14.476 ( 0.000 0.155 0.000) 0.155 14.539 ( 0.000 3.911 0.000) 3.911 15.129 ( 0.000 -5.649 0.000) 5.649 15.230 ( 0.000 -8.007 0.000) 8.007 15.600 ( 0.000 -5.447 0.000) 5.447 15.783 ( 0.000 9.151 0.000) 9.151 16.103 ( 0.000 -3.713 0.000) 3.713 16.134 ( 0.000 6.606 0.000) 6.606 16.305 ( 0.000 -9.897 0.000) 9.897 16.451 ( 0.000 -3.801 0.000) 3.801 21.163 ( 0.000 2.151 0.000) 2.151 21.180 ( 0.000 2.334 0.000) 2.334 21.320 ( 0.000 6.316 0.000) 6.316 21.388 ( 0.000 3.063 0.000) 3.063 24.627 ( 0.000 0.551 0.000) 0.551 24.652 ( 0.000 0.663 0.000) 0.663 24.656 ( 0.000 2.017 0.000) 2.017 24.841 ( 0.000 -1.092 0.000) 1.092 25.128 ( 0.000 -0.346 0.000) 0.346 25.227 ( 0.000 -1.156 0.000) 1.156 25.306 ( 0.000 0.957 0.000) 0.957 25.354 ( 0.000 -0.357 0.000) 0.357 26.204 ( 0.000 2.847 0.000) 2.847 26.255 ( 0.000 0.493 0.000) 0.493 26.319 ( 0.000 -1.358 0.000) 1.358 26.360 ( 0.000 0.100 0.000) 0.100 26.988 ( 0.000 2.578 0.000) 2.578 27.363 ( 0.000 1.513 0.000) 1.513 27.662 ( 0.000 -6.306 0.000) 6.306 27.972 ( 0.000 6.577 0.000) 6.577 28.046 ( 0.000 -4.960 0.000) 4.960 28.389 ( 0.000 2.413 0.000) 2.413 28.411 ( 0.000 -6.869 0.000) 6.869 28.656 ( 0.000 -1.352 0.000) 1.352 28.858 ( 0.000 5.060 0.000) 5.060 28.958 ( 0.000 0.661 0.000) 0.661 29.229 ( 0.000 4.345 0.000) 4.345 29.924 ( 0.000 -6.273 0.000) 6.273 31.216 ( 0.000 0.639 0.000) 0.639 31.348 ( 0.000 -5.718 0.000) 5.718 31.816 ( 0.000 14.318 0.000) 14.318 32.938 ( 0.000 -8.372 0.000) 8.372 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 20.680 20.114 -4.594) 29.212 0.861 ( 18.474 19.522 8.273) 28.122 1.194 ( 26.289 17.086 29.609) 43.125 1.728 ( 1.925 -8.364 0.833) 8.623 2.001 ( 10.843 -11.192 -11.797) 19.545 2.172 ( -1.637 -13.453 -2.737) 13.826 2.264 ( 7.291 -16.029 -0.276) 17.612 2.402 ( 0.856 -1.908 -5.592) 5.970 2.474 ( 3.314 -8.653 -0.473) 9.278 2.659 ( 3.358 1.158 4.376) 5.636 2.751 ( 0.817 -10.674 5.118) 11.866 2.809 ( -1.212 2.469 -4.465) 5.244 2.982 ( -1.183 1.445 -1.544) 2.423 3.052 ( 2.483 5.706 -4.912) 7.928 3.188 ( 3.975 -8.262 -5.853) 10.878 3.228 ( -4.620 1.417 4.340) 6.495 3.291 ( -0.287 -1.616 1.386) 2.149 3.413 ( 5.345 6.773 1.963) 8.848 3.474 ( 2.821 -6.008 2.382) 7.052 3.624 ( -4.220 0.282 -6.015) 7.353 3.840 ( 5.491 10.236 -1.941) 11.777 3.872 ( 4.757 1.815 -2.488) 5.667 3.898 ( -0.847 1.925 -3.165) 3.800 3.957 ( 3.752 2.619 8.250) 9.434 4.026 ( 1.044 1.813 -3.964) 4.483 4.092 ( -3.696 3.502 1.848) 5.416 4.283 ( 7.023 -2.637 2.249) 7.832 4.316 ( 3.582 -5.350 5.694) 8.595 4.333 ( 3.156 1.911 -5.570) 6.681 4.570 ( 2.620 0.986 -3.633) 4.587 4.606 ( 2.880 -3.495 -0.141) 4.531 4.653 ( 6.878 -2.554 -2.339) 7.701 4.764 ( 8.268 0.042 -8.134) 11.599 4.837 ( 3.860 0.015 -3.481) 5.198 5.039 ( 5.900 5.249 1.113) 7.975 5.179 ( -3.660 6.201 -6.123) 9.452 5.337 ( 9.967 -0.457 1.660) 10.115 5.472 ( 6.371 1.497 -2.641) 7.057 5.480 ( 4.526 3.375 1.037) 5.740 5.632 ( 4.748 2.064 0.695) 5.223 5.773 ( 2.989 0.453 0.598) 3.082 5.894 ( 3.992 2.575 1.688) 5.041 5.969 ( 9.297 -2.082 5.189) 10.849 6.014 ( 5.548 -2.794 8.373) 10.426 6.164 ( -0.711 2.394 -3.491) 4.292 6.411 ( 8.120 3.965 -0.839) 9.075 6.495 ( 4.583 5.216 -1.452) 7.094 6.641 ( 3.479 5.123 5.436) 8.241 6.824 ( 1.831 -2.224 4.305) 5.180 7.052 ( 0.640 5.519 0.985) 5.643 7.139 ( 9.945 -6.294 2.757) 12.088 7.278 ( 7.611 -1.196 -4.524) 8.934 7.318 ( 5.537 -0.732 4.344) 7.075 7.493 ( 1.015 -2.444 -2.913) 3.936 7.820 ( -0.965 -15.076 3.773) 15.571 8.012 ( -7.530 -3.522 -4.363) 9.388 8.189 ( -1.062 -0.520 -4.393) 4.550 8.393 ( -12.454 2.110 6.791) 14.341 8.573 ( -1.389 -2.063 -2.210) 3.327 8.637 ( -0.941 4.293 -0.637) 4.441 8.728 ( -0.920 9.114 -1.534) 9.288 8.960 ( 0.467 -0.665 -6.170) 6.223 9.104 ( -1.550 2.907 2.661) 4.234 9.133 ( -4.283 -4.953 13.454) 14.963 9.270 ( -0.799 -4.769 -7.297) 8.753 9.294 ( 5.694 -2.390 1.711) 6.408 9.558 ( 3.133 0.847 -1.339) 3.511 9.708 ( 7.503 2.110 0.688) 7.824 9.894 ( -2.142 -10.213 -3.057) 10.874 9.950 ( -11.189 13.188 1.202) 17.337 10.304 ( -9.894 -8.258 2.467) 13.122 10.518 ( -13.087 2.492 -1.276) 13.384 10.998 ( 5.946 -0.484 3.373) 6.854 11.230 ( 4.392 3.307 -7.867) 9.598 11.450 ( 3.260 -1.326 4.478) 5.696 11.675 ( 7.278 -1.056 -1.955) 7.610 12.511 ( -3.575 1.005 2.192) 4.312 12.840 ( -9.612 4.162 1.751) 10.620 13.033 ( -3.556 -2.271 -5.743) 7.126 13.088 ( -3.225 -3.742 -1.149) 5.072 13.157 ( -5.112 -3.909 -0.166) 6.438 13.214 ( 3.331 -2.057 -0.935) 4.025 13.428 ( 0.389 -1.219 3.943) 4.145 13.552 ( 1.302 -1.291 1.737) 2.526 13.595 ( 0.147 -5.790 0.565) 5.820 13.728 ( -0.147 6.767 2.971) 7.392 13.927 ( 5.547 -5.454 4.227) 8.854 14.209 ( 1.816 5.618 2.197) 6.300 14.290 ( -10.303 9.796 9.690) 17.205 14.363 ( -0.117 -1.716 1.082) 2.032 14.517 ( 4.363 0.622 -0.769) 4.474 14.687 ( 14.232 -4.916 -14.977) 21.238 15.009 ( -2.914 -3.705 -5.857) 7.518 15.252 ( -1.198 -5.359 1.781) 5.773 15.551 ( -3.973 4.155 2.344) 6.208 15.686 ( -4.766 4.790 -0.907) 6.818 15.997 ( -5.492 7.170 -6.472) 11.111 16.084 ( -3.300 -3.634 -2.642) 5.574 16.273 ( -4.892 -6.803 4.313) 9.425 16.426 ( -4.735 -3.837 0.576) 6.121 21.122 ( -1.817 4.354 -0.887) 4.801 21.173 ( -1.028 2.425 0.735) 2.734 21.301 ( -2.318 5.833 0.738) 6.320 21.373 ( -0.722 2.212 -0.291) 2.345 24.628 ( -1.822 2.002 -0.387) 2.734 24.671 ( 0.685 0.801 2.018) 2.277 24.714 ( 2.444 -1.897 0.874) 3.215 24.813 ( -1.583 0.556 -2.276) 2.827 25.186 ( 6.681 -0.374 -0.362) 6.702 25.276 ( 3.918 2.476 -1.549) 4.887 25.397 ( 8.509 -4.056 -1.240) 9.507 25.617 ( 9.424 -10.652 10.080) 17.432 26.249 ( 3.338 0.453 -2.840) 4.407 26.367 ( 5.140 -1.587 -1.007) 5.473 26.397 ( 6.181 -0.809 2.144) 6.592 26.559 ( 13.577 -9.455 19.002) 25.195 27.024 ( 7.311 -1.987 -8.035) 11.044 27.348 ( -1.970 1.874 0.660) 2.797 27.680 ( 2.660 -7.951 -2.263) 8.685 27.960 ( 2.012 0.485 -11.563) 11.746 28.028 ( -3.214 1.412 5.781) 6.763 28.233 ( -4.752 2.815 -7.009) 8.924 28.528 ( 5.866 -1.793 -6.404) 8.868 28.697 ( 0.195 -3.270 6.989) 7.718 28.860 ( 0.107 -0.677 3.059) 3.135 28.917 ( -3.664 0.055 0.562) 3.707 29.198 ( -2.830 4.181 -0.874) 5.124 29.721 ( -10.045 7.105 -9.728) 15.685 31.209 ( -0.859 0.344 1.289) 1.587 31.337 ( -2.580 -6.171 2.640) 7.191 31.780 ( -7.440 12.592 6.701) 16.088 32.406 ( -29.630 16.071 -3.491) 33.888 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 17.152 20.238 0.964) 26.546 1.161 ( 12.356 12.846 9.051) 19.990 1.731 ( 7.844 -4.406 9.675) 13.212 1.993 ( 12.936 -3.280 11.886) 17.871 2.074 ( 2.827 -8.271 -8.796) 12.400 2.111 ( 12.159 0.422 -5.535) 13.366 2.344 ( -0.519 -4.477 2.353) 5.085 2.418 ( 4.552 -9.913 -2.514) 11.194 2.549 ( 3.722 -9.243 -0.780) 9.994 2.665 ( -0.026 -5.100 -2.045) 5.495 2.763 ( 0.593 -1.787 6.236) 6.514 2.892 ( 4.365 -13.239 -0.426) 13.947 2.924 ( -1.848 1.972 -4.821) 5.527 3.056 ( -0.654 2.057 -1.090) 2.418 3.177 ( -4.630 -0.919 1.051) 4.836 3.245 ( 5.035 -4.738 -3.709) 7.846 3.293 ( -0.400 -1.863 -1.818) 2.634 3.415 ( -5.900 -2.472 -3.261) 7.180 3.508 ( -1.947 -7.388 -2.116) 7.928 3.568 ( 3.444 6.672 6.627) 10.015 3.795 ( -3.509 2.760 -8.531) 9.628 3.843 ( -4.326 2.159 -2.650) 5.514 3.935 ( -0.945 4.498 0.783) 4.662 3.988 ( 1.704 17.052 -0.926) 17.162 4.096 ( 6.401 0.991 1.976) 6.772 4.175 ( 6.251 0.087 5.763) 8.503 4.386 ( 8.221 -2.100 -3.765) 9.282 4.406 ( 3.677 2.086 1.979) 4.668 4.522 ( 10.254 0.253 7.938) 12.970 4.587 ( 3.145 2.682 -4.570) 6.162 4.688 ( 7.426 -0.934 -4.908) 8.950 4.760 ( 5.139 -2.307 0.679) 5.674 4.864 ( 5.075 -3.514 -5.451) 8.235 4.962 ( 14.763 2.093 -4.652) 15.620 5.188 ( 11.089 4.768 -2.092) 12.251 5.229 ( 11.448 8.304 1.048) 14.181 5.455 ( 0.845 -1.624 0.723) 1.969 5.613 ( 13.639 -2.474 -1.824) 13.981 5.658 ( 0.260 2.914 1.212) 3.167 5.699 ( 9.898 3.033 5.397) 11.675 5.838 ( 3.860 3.298 1.790) 5.384 5.991 ( 3.471 0.888 0.977) 3.713 6.060 ( 5.251 -0.736 0.039) 5.302 6.194 ( 8.691 2.785 -3.432) 9.750 6.335 ( 10.995 -0.599 8.531) 13.929 6.503 ( 0.426 11.408 -3.614) 11.974 6.614 ( 11.663 2.958 2.667) 12.325 6.743 ( 7.705 1.917 6.685) 10.380 6.929 ( 5.143 1.459 4.098) 6.736 7.085 ( -0.277 0.284 -5.026) 5.042 7.287 ( 7.544 -2.744 -3.037) 8.583 7.368 ( 5.458 -0.785 -6.155) 8.264 7.480 ( 9.087 3.575 5.428) 11.173 7.559 ( 9.532 -4.712 -0.145) 10.634 7.838 ( 0.824 -10.241 -0.285) 10.278 7.879 ( -2.136 -7.111 -3.641) 8.270 8.120 ( -2.821 -0.284 -2.560) 3.821 8.206 ( -11.469 0.806 3.453) 12.005 8.509 ( -3.493 -2.444 -2.164) 4.780 8.589 ( -2.003 3.389 -2.564) 4.698 8.687 ( -1.818 7.291 -1.835) 7.735 8.918 ( 0.938 -2.687 -5.726) 6.394 9.098 ( -2.252 0.326 3.022) 3.783 9.146 ( -5.721 -6.177 11.987) 14.648 9.168 ( -5.863 -1.345 -3.051) 6.745 9.389 ( 2.801 -4.566 1.496) 5.562 9.628 ( 2.402 0.885 3.535) 4.365 9.776 ( -5.355 -6.779 1.724) 8.809 9.801 ( -2.573 4.067 2.006) 5.214 9.892 ( 2.649 5.602 -3.258) 7.001 10.101 ( -11.157 -3.277 0.168) 11.630 10.271 ( -10.963 -0.149 -1.749) 11.102 11.080 ( 1.581 1.730 0.398) 2.378 11.228 ( 1.426 6.793 -2.348) 7.328 11.603 ( 7.499 -4.816 3.855) 9.710 11.796 ( 7.603 -1.872 -4.344) 8.954 12.440 ( -5.494 2.559 1.591) 6.266 12.621 ( -12.823 4.213 -0.449) 13.504 12.880 ( -4.992 -6.765 -6.541) 10.652 13.037 ( -1.014 -4.574 -2.656) 5.385 13.148 ( -0.212 -6.332 4.440) 7.737 13.282 ( 4.196 -1.772 -0.536) 4.586 13.472 ( 0.388 0.450 2.681) 2.746 13.531 ( -1.660 -2.658 -0.911) 3.263 13.661 ( 2.399 0.019 2.974) 3.821 13.724 ( 1.401 7.747 -1.012) 7.937 14.021 ( 1.340 -3.030 3.933) 5.143 14.197 ( -5.975 8.630 6.210) 12.196 14.285 ( 4.993 4.611 0.003) 6.796 14.387 ( 1.134 -4.250 1.607) 4.683 14.612 ( 6.324 -0.451 -1.459) 6.506 14.777 ( 7.178 -2.884 -13.021) 15.146 15.021 ( 4.971 -4.971 1.324) 7.154 15.223 ( -2.122 -2.281 0.592) 3.171 15.526 ( -1.850 5.308 3.764) 6.765 15.599 ( -6.176 -2.531 3.584) 7.575 15.843 ( -5.704 4.762 -6.700) 10.005 15.959 ( -6.867 -4.597 -3.714) 9.060 16.191 ( -8.119 -3.373 4.999) 10.113 16.294 ( -9.141 -3.025 -0.294) 9.633 21.096 ( -0.672 3.412 -0.171) 3.482 21.156 ( -1.329 2.452 0.743) 2.886 21.251 ( -3.408 4.756 0.651) 5.887 21.356 ( -0.935 1.351 -0.477) 1.711 24.603 ( -0.823 2.172 0.240) 2.335 24.664 ( -2.951 1.230 0.964) 3.340 24.735 ( 0.890 0.442 -0.414) 1.076 24.796 ( 0.593 0.052 -1.095) 1.246 25.325 ( 8.516 -0.279 -1.711) 8.690 25.380 ( 7.808 2.417 -0.248) 8.177 25.559 ( 10.379 -2.757 -3.461) 11.283 25.788 ( 5.165 -5.560 4.796) 8.978 26.320 ( 6.636 1.892 -3.261) 7.632 26.469 ( 7.203 -0.294 -1.660) 7.398 26.546 ( 7.829 0.018 1.876) 8.051 26.817 ( -0.003 -0.163 18.310) 18.311 27.120 ( 8.695 -7.630 -8.798) 14.534 27.307 ( -3.065 2.280 2.115) 4.367 27.709 ( 1.098 -8.414 -1.083) 8.554 27.856 ( -5.835 -3.060 -3.209) 7.328 28.022 ( 2.872 7.338 -9.550) 12.381 28.132 ( -2.525 2.222 -1.211) 3.575 28.565 ( 2.452 -1.464 -1.504) 3.228 28.698 ( -2.370 0.676 0.206) 2.473 28.811 ( -4.345 0.992 -0.478) 4.483 28.984 ( 4.565 -10.587 7.378) 13.688 29.121 ( -3.937 3.208 -1.851) 5.405 29.539 ( -4.139 6.176 -4.853) 8.878 31.207 ( -1.097 -0.254 2.580) 2.815 31.295 ( -3.061 -4.821 0.809) 5.768 31.640 ( -11.351 11.073 4.264) 16.420 31.994 ( -17.496 6.963 1.572) 18.896 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 7.110 9.531 8.524) 14.630 1.521 ( 19.458 10.778 0.151) 22.245 1.883 ( 1.960 -6.210 1.347) 6.650 1.965 ( 3.284 -2.618 -4.273) 5.991 2.093 ( 2.370 0.213 -3.194) 3.983 2.327 ( -1.965 -3.459 3.965) 5.617 2.460 ( 6.653 -7.225 2.041) 10.031 2.507 ( 3.440 -1.441 -0.208) 3.735 2.596 ( 0.690 -0.438 0.268) 0.860 2.653 ( -1.252 -6.420 0.773) 6.587 2.824 ( -0.064 -1.573 0.571) 1.675 2.857 ( -1.204 -8.254 5.455) 9.967 2.921 ( 0.630 -11.382 -4.331) 12.194 3.017 ( -2.179 -9.150 2.603) 9.759 3.079 ( -3.207 -4.046 -2.909) 5.926 3.221 ( -1.564 -0.771 -5.398) 5.672 3.322 ( -3.544 0.400 1.850) 4.017 3.349 ( 4.205 -3.132 2.745) 5.918 3.386 ( -5.257 -1.801 -12.996) 14.134 3.619 ( -4.641 1.855 2.582) 5.626 3.697 ( -3.970 8.847 -0.456) 9.708 3.716 ( -4.003 2.765 1.728) 5.162 3.882 ( -1.619 7.682 -1.836) 8.063 4.032 ( 3.422 18.988 -1.369) 19.343 4.226 ( 4.516 -0.580 2.887) 5.391 4.302 ( 4.070 0.233 0.848) 4.164 4.435 ( 0.513 7.110 0.679) 7.161 4.520 ( 5.646 -4.820 -3.340) 8.140 4.616 ( 3.166 0.831 -3.882) 5.077 4.723 ( 3.645 2.070 8.084) 9.107 4.863 ( 11.363 2.884 -1.268) 11.792 4.894 ( 6.813 -4.156 4.673) 9.248 4.916 ( 9.047 -3.234 -7.664) 12.290 5.179 ( 9.311 3.786 -1.081) 10.109 5.364 ( 4.852 1.930 -5.552) 7.622 5.439 ( 7.599 3.957 -0.356) 8.575 5.563 ( 14.905 -2.592 3.142) 15.451 5.672 ( 1.584 5.340 2.222) 5.997 5.799 ( -0.568 4.328 3.696) 5.719 5.887 ( 15.314 -2.726 -0.235) 15.556 6.006 ( 8.705 -0.306 1.382) 8.819 6.039 ( 3.866 -0.260 -0.199) 3.880 6.168 ( 5.784 1.535 0.003) 5.984 6.319 ( -3.574 4.441 2.068) 6.064 6.489 ( 17.509 6.411 -0.294) 18.648 6.640 ( 11.253 1.519 -1.925) 11.517 6.843 ( 9.442 2.964 0.429) 9.905 6.915 ( 1.599 3.702 1.937) 4.474 7.048 ( 7.364 0.535 -0.648) 7.412 7.116 ( 11.000 5.130 2.902) 12.479 7.301 ( 3.004 -0.284 -5.171) 5.987 7.577 ( 11.848 -2.918 2.261) 12.410 7.673 ( 1.712 -0.143 -2.448) 2.991 7.685 ( 6.478 1.691 5.672) 8.775 7.819 ( 2.802 -7.097 -5.920) 9.657 7.897 ( 0.602 -4.762 -0.193) 4.804 8.061 ( -1.864 -2.561 2.464) 4.013 8.073 ( -1.598 -4.627 -2.510) 5.501 8.427 ( -3.712 -3.962 -0.829) 5.492 8.546 ( 0.049 3.339 -3.313) 4.704 8.649 ( -0.724 5.541 -1.182) 5.712 8.914 ( 2.159 0.537 -5.425) 5.864 9.019 ( -7.553 -5.639 1.012) 9.480 9.063 ( -3.039 0.867 0.974) 3.306 9.111 ( -7.479 -4.749 10.430) 13.685 9.425 ( 0.433 -3.733 0.550) 3.799 9.567 ( -12.234 -5.189 2.767) 13.574 9.664 ( -6.409 -3.289 3.079) 7.834 9.797 ( -4.757 1.298 -1.597) 5.183 9.870 ( 3.941 2.566 -2.517) 5.334 10.020 ( 0.975 1.267 -0.266) 1.621 10.102 ( -7.075 -2.093 0.655) 7.407 11.073 ( 0.091 4.751 -4.255) 6.379 11.285 ( 2.833 6.872 5.497) 9.245 11.725 ( 3.081 -5.352 1.632) 6.388 11.880 ( 5.830 -3.144 -5.869) 8.850 12.343 ( -5.596 2.644 0.734) 6.233 12.408 ( -9.460 4.999 -0.270) 10.703 12.778 ( -2.441 -7.171 -3.063) 8.170 13.019 ( 0.757 -4.199 -0.841) 4.349 13.186 ( 1.076 -5.405 3.247) 6.397 13.348 ( 2.616 -2.375 1.035) 3.681 13.466 ( -1.404 0.465 -1.041) 1.808 13.491 ( -1.805 0.428 -1.820) 2.598 13.664 ( -2.716 4.387 3.388) 6.172 13.821 ( 8.719 1.763 -5.079) 10.243 14.047 ( -1.689 0.057 5.013) 5.290 14.178 ( -0.196 6.398 4.821) 8.013 14.364 ( 4.291 2.669 -3.190) 5.976 14.431 ( 2.477 -4.573 1.706) 5.474 14.712 ( 5.134 -0.845 -0.691) 5.249 14.794 ( 3.835 0.077 -8.291) 9.135 15.140 ( 5.990 -3.855 0.088) 7.124 15.207 ( -0.332 -1.325 2.652) 2.983 15.481 ( -7.516 5.820 5.545) 11.005 15.555 ( -0.097 -7.173 1.872) 7.413 15.701 ( -4.591 2.715 -4.797) 7.173 15.805 ( -6.539 -3.477 -3.043) 8.007 16.047 ( -10.519 -3.120 2.880) 11.344 16.103 ( -10.868 -2.659 -0.288) 11.192 21.090 ( -0.025 2.492 -0.016) 2.493 21.138 ( -1.225 2.219 0.803) 2.659 21.195 ( -2.910 3.761 0.320) 4.766 21.331 ( -1.255 0.917 -0.669) 1.692 24.594 ( -0.782 2.123 0.533) 2.324 24.615 ( -1.983 2.360 0.042) 3.083 24.742 ( -0.038 0.397 -0.054) 0.402 24.794 ( -0.012 0.317 -0.884) 0.940 25.450 ( 6.478 -0.981 -2.559) 7.033 25.542 ( 8.205 2.274 2.465) 8.864 25.710 ( 8.518 -1.778 -3.725) 9.465 25.904 ( 4.538 -1.790 2.139) 5.327 26.429 ( 7.229 2.252 -2.868) 8.097 26.597 ( 7.466 -0.077 -1.407) 7.598 26.695 ( 6.523 0.491 1.464) 6.703 26.895 ( -2.648 3.009 10.416) 11.160 27.179 ( 4.332 -4.682 -7.047) 9.505 27.294 ( -0.821 1.967 4.852) 5.300 27.644 ( -7.556 -5.552 0.304) 9.382 27.781 ( -0.598 -2.262 -0.573) 2.409 27.980 ( 1.987 5.776 -11.223) 12.778 28.117 ( -0.136 2.443 1.776) 3.023 28.565 ( -2.161 -4.964 -3.745) 6.583 28.677 ( 1.666 2.133 1.382) 3.039 28.757 ( -2.730 1.481 3.209) 4.466 29.013 ( -5.010 3.116 0.273) 5.906 29.134 ( 5.225 -11.343 2.227) 12.686 29.468 ( -1.148 1.000 -2.283) 2.744 31.207 ( -0.941 -0.256 2.576) 2.754 31.251 ( -1.711 -2.781 -0.092) 3.267 31.467 ( -9.269 7.550 1.942) 12.112 31.718 ( -13.865 1.960 0.713) 14.021 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 4.701 2.979 3.721) 6.695 1.811 ( 10.492 1.286 0.105) 10.571 1.903 ( 4.350 -7.978 -3.302) 9.668 2.027 ( -1.236 -7.165 6.610) 9.826 2.172 ( 9.711 4.594 -4.129) 11.509 2.327 ( -0.652 0.475 -1.118) 1.378 2.461 ( -1.569 4.171 1.523) 4.709 2.483 ( -3.285 -3.382 -0.531) 4.745 2.584 ( -0.254 -2.585 -0.644) 2.676 2.593 ( -5.642 -6.515 -0.832) 8.658 2.765 ( -4.609 -3.162 -0.003) 5.589 2.871 ( 0.456 -5.005 -1.700) 5.305 2.956 ( -4.603 -5.089 -1.817) 7.098 3.019 ( 7.652 -2.495 -0.712) 8.080 3.034 ( -2.728 -7.362 -0.618) 7.875 3.093 ( -6.431 -5.871 -0.807) 8.745 3.182 ( -5.672 3.085 -8.023) 10.299 3.278 ( -3.658 2.927 4.699) 6.635 3.437 ( -3.030 -7.038 -1.054) 7.734 3.555 ( 5.138 5.633 0.076) 7.625 3.630 ( -1.210 7.758 1.058) 7.922 3.796 ( 2.094 4.169 6.017) 7.614 3.827 ( -1.185 4.970 -2.071) 5.513 4.100 ( 2.763 10.041 4.671) 11.414 4.285 ( 0.353 4.521 -2.045) 4.975 4.346 ( 2.921 -0.415 0.413) 2.979 4.466 ( 1.139 8.448 -1.924) 8.739 4.544 ( 1.498 2.981 -3.133) 4.577 4.617 ( -2.242 -2.740 1.779) 3.962 4.829 ( 3.942 4.629 1.626) 6.294 4.903 ( 2.239 -1.654 -2.974) 4.073 5.039 ( 0.999 -9.270 5.674) 10.915 5.117 ( 9.970 -3.672 -1.915) 10.796 5.313 ( -0.495 1.475 -6.139) 6.333 5.328 ( 6.715 6.009 3.255) 9.581 5.574 ( 3.721 0.217 0.058) 3.728 5.683 ( 1.653 12.208 -0.296) 12.323 5.741 ( -3.740 -1.563 0.821) 4.136 5.909 ( 11.097 -1.222 2.011) 11.344 6.098 ( 5.033 -3.165 -1.663) 6.173 6.139 ( 5.574 3.239 0.487) 6.465 6.149 ( 5.100 -1.006 0.052) 5.198 6.228 ( 3.341 0.012 1.197) 3.549 6.326 ( 5.564 3.810 0.086) 6.744 6.734 ( 2.267 1.307 -3.743) 4.567 6.838 ( 15.430 5.262 1.361) 16.359 6.974 ( 7.541 -0.823 1.699) 7.773 7.036 ( 7.728 4.998 -3.203) 9.745 7.154 ( 2.586 1.715 3.691) 4.822 7.271 ( 5.528 5.703 2.890) 8.452 7.447 ( 7.847 4.586 0.179) 9.091 7.608 ( -2.853 -0.830 -0.979) 3.129 7.686 ( -2.296 -0.354 0.155) 2.328 7.774 ( -0.245 -0.689 3.858) 3.927 7.837 ( -0.687 -0.634 -4.792) 4.882 7.868 ( 4.045 -5.881 -4.082) 8.222 8.078 ( 2.812 -5.168 0.607) 5.914 8.170 ( 8.786 -6.749 0.036) 11.079 8.368 ( -3.331 -5.910 1.553) 6.959 8.543 ( 2.139 2.806 -3.382) 4.888 8.648 ( 1.004 5.718 -0.261) 5.812 8.832 ( -6.002 -1.982 -2.482) 6.791 8.988 ( 1.016 -4.322 1.290) 4.624 9.014 ( -1.859 3.057 -0.036) 3.578 9.044 ( -5.613 -5.544 5.813) 9.800 9.353 ( -11.706 -7.288 4.172) 14.406 9.428 ( 0.489 -3.286 -3.564) 4.873 9.517 ( -7.797 -3.112 0.014) 8.395 9.738 ( -1.615 1.779 0.352) 2.429 9.937 ( 3.348 -0.257 -0.860) 3.466 10.012 ( -3.702 -2.424 1.367) 4.632 10.035 ( 0.631 1.539 -0.506) 1.739 11.045 ( 0.146 7.907 -3.055) 8.478 11.379 ( 2.216 4.723 5.108) 7.301 11.756 ( 0.563 -6.817 -0.342) 6.848 11.927 ( 3.376 -2.893 -3.868) 5.893 12.260 ( -3.680 3.233 0.312) 4.908 12.276 ( -4.788 7.022 0.629) 8.522 12.729 ( -1.409 -8.371 -1.086) 8.558 13.047 ( 1.918 -1.333 0.568) 2.404 13.238 ( 2.369 -4.111 2.013) 5.154 13.386 ( 0.525 -2.960 0.276) 3.019 13.415 ( -2.999 0.301 -1.081) 3.202 13.447 ( -0.934 -0.980 -1.247) 1.840 13.639 ( -1.629 6.564 1.130) 6.856 13.900 ( 3.661 1.543 -4.919) 6.323 14.061 ( -0.510 -2.120 4.200) 4.733 14.254 ( 4.178 6.647 3.247) 8.497 14.404 ( 2.790 0.323 -2.520) 3.773 14.488 ( 2.177 -1.977 0.685) 3.019 14.752 ( -1.369 -0.387 -0.582) 1.537 14.816 ( 4.429 1.033 -3.845) 5.956 15.204 ( 2.402 -1.057 -1.682) 3.117 15.269 ( 2.336 -1.795 3.432) 4.523 15.396 ( -3.958 3.228 4.202) 6.614 15.580 ( 1.252 -5.485 0.296) 5.634 15.612 ( -1.449 1.563 -3.732) 4.297 15.694 ( -3.492 -3.572 0.018) 4.995 15.866 ( -9.982 -4.159 1.087) 10.868 15.909 ( -9.167 -3.241 -0.416) 9.732 21.092 ( 0.316 1.858 -0.205) 1.896 21.124 ( -0.899 1.713 0.716) 2.062 21.155 ( -1.522 3.346 0.166) 3.680 21.305 ( -0.970 0.671 -0.523) 1.290 24.575 ( -0.947 2.267 -0.060) 2.457 24.601 ( -0.369 3.048 0.423) 3.099 24.736 ( -0.308 0.159 -0.131) 0.370 24.785 ( -0.286 0.653 -0.545) 0.897 25.523 ( 3.176 -1.486 -1.552) 3.834 25.696 ( 5.426 2.440 3.927) 7.128 25.801 ( 4.204 -2.113 -3.955) 6.147 25.983 ( 2.800 1.382 0.579) 3.176 26.530 ( 5.212 1.670 -1.742) 5.744 26.701 ( 4.239 -0.880 -0.844) 4.411 26.797 ( 3.781 1.057 0.339) 3.941 26.892 ( -3.244 2.445 4.706) 6.217 27.195 ( 2.504 -2.909 -4.752) 6.108 27.342 ( 1.042 3.642 6.184) 7.253 27.515 ( -5.981 -4.167 0.653) 7.319 27.757 ( -0.683 -0.309 -3.521) 3.600 27.953 ( 1.029 2.848 -3.197) 4.403 28.134 ( 0.508 4.141 1.054) 4.303 28.478 ( -2.501 -5.689 -4.412) 7.621 28.736 ( 0.465 1.333 1.679) 2.194 28.756 ( 1.566 1.817 3.885) 4.565 28.921 ( -4.332 2.915 -1.130) 5.342 29.226 ( 3.055 -11.096 1.248) 11.576 29.448 ( -0.039 -2.579 -0.939) 2.744 31.213 ( -0.127 0.428 1.600) 1.662 31.242 ( 0.722 -0.961 0.296) 1.238 31.341 ( -5.210 3.977 0.598) 6.581 31.500 ( -9.506 0.279 -0.631) 9.531 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 0.548 0.000) 0.548 1.894 ( 0.000 -1.972 0.000) 1.972 1.946 ( 0.000 -15.497 0.000) 15.497 2.065 ( 0.000 -9.525 0.000) 9.525 2.229 ( 0.000 1.760 0.000) 1.760 2.329 ( 0.000 2.869 0.000) 2.869 2.478 ( -0.000 -2.848 -0.000) 2.848 2.486 ( 0.000 2.306 0.000) 2.306 2.530 ( -0.000 0.964 0.000) 0.964 2.547 ( 0.000 3.521 -0.000) 3.521 2.714 ( -0.000 -1.276 0.000) 1.276 2.754 ( 0.000 5.399 0.000) 5.399 2.972 ( 0.000 -11.651 0.000) 11.651 2.975 ( 0.000 -3.578 0.000) 3.578 3.035 ( 0.000 -4.536 -0.000) 4.536 3.077 ( 0.000 1.996 0.000) 1.996 3.163 ( -0.000 -5.258 0.000) 5.258 3.213 ( 0.000 3.973 -0.000) 3.973 3.395 ( 0.000 -2.587 0.000) 2.587 3.614 ( -0.000 6.239 0.000) 6.239 3.631 ( 0.000 7.238 0.000) 7.238 3.792 ( 0.000 -1.084 0.000) 1.084 3.863 ( 0.000 2.465 0.000) 2.465 4.182 ( 0.000 -4.030 0.000) 4.030 4.242 ( 0.000 18.905 0.000) 18.905 4.410 ( 0.000 -1.828 -0.000) 1.828 4.444 ( 0.000 2.484 0.000) 2.484 4.535 ( 0.000 10.507 0.000) 10.507 4.596 ( 0.000 -1.314 0.000) 1.314 4.877 ( 0.000 2.945 0.000) 2.945 4.944 ( 0.000 -2.487 -0.000) 2.487 5.022 ( 0.000 -6.570 0.000) 6.570 5.206 ( 0.000 -7.600 0.000) 7.600 5.284 ( 0.000 2.713 -0.000) 2.713 5.455 ( 0.000 5.229 0.000) 5.229 5.557 ( -0.000 0.781 0.000) 0.781 5.703 ( 0.000 14.508 -0.000) 14.508 5.706 ( 0.000 -2.533 0.000) 2.533 6.000 ( 0.000 -3.718 0.000) 3.718 6.125 ( 0.000 2.037 0.000) 2.037 6.191 ( 0.000 -4.988 0.000) 4.988 6.204 ( 0.000 3.980 -0.000) 3.980 6.278 ( 0.000 3.662 0.000) 3.662 6.420 ( 0.000 -2.447 0.000) 2.447 6.735 ( 0.000 1.072 0.000) 1.072 7.002 ( 0.000 4.947 -0.000) 4.947 7.020 ( 0.000 -4.720 0.000) 4.720 7.131 ( 0.000 8.353 0.000) 8.353 7.229 ( 0.000 2.381 0.000) 2.381 7.314 ( 0.000 6.724 0.000) 6.724 7.493 ( 0.000 6.189 0.000) 6.189 7.616 ( -0.000 -1.003 -0.000) 1.003 7.650 ( -0.000 -0.363 -0.000) 0.363 7.713 ( 0.000 -1.262 0.000) 1.262 7.838 ( 0.000 -0.722 0.000) 0.722 7.903 ( 0.000 -5.930 0.000) 5.930 8.125 ( 0.000 -4.706 0.000) 4.706 8.294 ( 0.000 -5.762 -0.000) 5.762 8.311 ( -0.000 -7.207 0.000) 7.207 8.555 ( 0.000 2.080 0.000) 2.080 8.661 ( 0.000 5.444 0.000) 5.444 8.752 ( -0.000 -1.668 0.000) 1.668 8.979 ( -0.000 -13.657 0.000) 13.657 8.994 ( 0.000 3.305 0.000) 3.305 9.052 ( 0.000 6.029 0.000) 6.029 9.237 ( 0.000 -9.775 0.000) 9.775 9.413 ( 0.000 -3.225 0.000) 3.225 9.444 ( 0.000 -3.239 0.000) 3.239 9.725 ( -0.000 1.950 0.000) 1.950 9.968 ( -0.000 -5.077 0.000) 5.077 9.981 ( 0.000 0.818 -0.000) 0.818 10.038 ( 0.000 1.734 0.000) 1.734 11.035 ( 0.000 9.175 0.000) 9.175 11.422 ( 0.000 3.609 -0.000) 3.609 11.758 ( 0.000 -8.162 0.000) 8.162 11.944 ( 0.000 -2.535 0.000) 2.535 12.221 ( 0.000 6.832 0.000) 6.832 12.240 ( 0.000 5.518 0.000) 5.518 12.711 ( 0.000 -9.169 0.000) 9.169 13.072 ( 0.000 0.464 0.000) 0.464 13.283 ( 0.000 -3.495 0.000) 3.495 13.365 ( -0.000 0.083 0.000) 0.083 13.384 ( 0.000 -0.774 -0.000) 0.774 13.441 ( 0.000 -5.571 0.000) 5.571 13.628 ( 0.000 8.336 0.000) 8.336 13.910 ( 0.000 2.709 0.000) 2.709 14.074 ( 0.000 -4.521 0.000) 4.521 14.320 ( 0.000 6.719 0.000) 6.719 14.424 ( 0.000 0.697 0.000) 0.697 14.512 ( 0.000 -0.847 0.000) 0.847 14.721 ( 0.000 -1.485 0.000) 1.485 14.850 ( 0.000 1.997 0.000) 1.997 15.221 ( 0.000 -0.371 0.000) 0.371 15.283 ( 0.000 0.323 0.000) 0.323 15.412 ( 0.000 0.265 0.000) 0.265 15.570 ( -0.000 -0.263 0.000) 0.263 15.607 ( 0.000 -0.114 0.000) 0.114 15.685 ( 0.000 -3.623 0.000) 3.623 15.747 ( 0.000 -7.720 0.000) 7.720 15.806 ( 0.000 -3.801 0.000) 3.801 21.095 ( 0.000 1.583 0.000) 1.583 21.118 ( 0.000 1.440 0.000) 1.440 21.142 ( 0.000 3.319 0.000) 3.319 21.293 ( 0.000 0.594 0.000) 0.594 24.566 ( 0.000 2.469 0.000) 2.469 24.599 ( 0.000 3.177 0.000) 3.177 24.732 ( 0.000 0.090 0.000) 0.090 24.780 ( 0.000 0.761 0.000) 0.761 25.546 ( 0.000 -1.609 0.000) 1.609 25.777 ( 0.000 5.941 0.000) 5.941 25.810 ( 0.000 -5.789 0.000) 5.789 26.011 ( 0.000 2.541 0.000) 2.541 26.576 ( 0.000 1.226 0.000) 1.226 26.735 ( 0.000 -1.718 0.000) 1.718 26.838 ( 0.000 2.141 0.000) 2.141 26.872 ( -0.000 1.685 0.000) 1.685 27.200 ( 0.000 -2.411 0.000) 2.411 27.392 ( 0.000 6.909 0.000) 6.909 27.452 ( 0.000 -6.244 -0.000) 6.244 27.729 ( 0.000 0.161 -0.000) 0.161 27.954 ( 0.000 2.235 0.000) 2.235 28.144 ( 0.000 5.136 0.000) 5.136 28.434 ( 0.000 -6.646 -0.000) 6.646 28.739 ( 0.000 2.176 0.000) 2.176 28.826 ( 0.000 -0.560 0.000) 0.560 28.845 ( -0.000 4.475 -0.000) 4.475 29.260 ( 0.000 -10.958 0.000) 10.958 29.445 ( 0.000 -3.766 0.000) 3.766 31.222 ( 0.000 1.340 0.000) 1.340 31.260 ( -0.000 0.838 0.000) 0.838 31.296 ( 0.000 1.403 0.000) 1.403 31.391 ( 0.000 -0.635 0.000) 0.635 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 17.992 0.000) 17.992 1.126 ( 0.000 27.733 0.000) 27.733 1.206 ( 0.000 -6.652 0.000) 6.652 1.602 ( 0.000 -2.132 0.000) 2.132 1.708 ( 0.000 -12.216 0.000) 12.216 1.838 ( 0.000 -6.139 0.000) 6.139 1.965 ( 0.000 -9.655 0.000) 9.655 2.163 ( 0.000 -19.884 0.000) 19.884 2.456 ( 0.000 0.142 0.000) 0.142 2.476 ( 0.000 -1.360 0.000) 1.360 2.743 ( 0.000 5.711 0.000) 5.711 2.944 ( 0.000 3.480 0.000) 3.480 2.947 ( 0.000 -5.374 0.000) 5.374 3.064 ( 0.000 -1.626 0.000) 1.626 3.192 ( 0.000 -0.983 0.000) 0.983 3.265 ( 0.000 1.975 0.000) 1.975 3.292 ( 0.000 2.351 0.000) 2.351 3.396 ( 0.000 -2.380 0.000) 2.380 3.438 ( 0.000 9.875 0.000) 9.875 3.705 ( 0.000 0.192 0.000) 0.192 3.774 ( 0.000 -4.428 0.000) 4.428 3.872 ( 0.000 1.750 0.000) 1.750 3.930 ( 0.000 -2.070 0.000) 2.070 4.001 ( 0.000 -12.412 0.000) 12.412 4.079 ( 0.000 10.603 0.000) 10.603 4.122 ( 0.000 3.871 0.000) 3.871 4.217 ( 0.000 7.792 0.000) 7.792 4.252 ( 0.000 4.851 0.000) 4.851 4.370 ( 0.000 -4.083 0.000) 4.083 4.386 ( 0.000 -6.972 0.000) 6.972 4.526 ( 0.000 -0.295 0.000) 0.295 4.612 ( 0.000 -1.391 0.000) 1.391 4.703 ( 0.000 2.686 0.000) 2.686 4.911 ( 0.000 -1.194 0.000) 1.194 5.053 ( 0.000 6.129 0.000) 6.129 5.242 ( 0.000 -0.730 0.000) 0.730 5.308 ( 0.000 1.498 0.000) 1.498 5.450 ( 0.000 -1.838 0.000) 1.838 5.540 ( 0.000 4.852 0.000) 4.852 5.557 ( 0.000 4.125 0.000) 4.125 5.746 ( 0.000 -3.232 0.000) 3.232 5.788 ( 0.000 -4.391 0.000) 4.391 5.835 ( 0.000 2.830 0.000) 2.830 5.882 ( 0.000 0.133 0.000) 0.133 6.388 ( 0.000 6.500 0.000) 6.500 6.437 ( 0.000 8.595 0.000) 8.595 6.540 ( 0.000 5.513 0.000) 5.513 6.588 ( 0.000 6.758 0.000) 6.758 6.800 ( 0.000 -0.696 0.000) 0.696 6.934 ( 0.000 -4.727 0.000) 4.727 7.091 ( 0.000 -0.489 0.000) 0.489 7.162 ( 0.000 -3.850 0.000) 3.850 7.362 ( 0.000 4.044 0.000) 4.044 7.468 ( 0.000 -0.498 0.000) 0.498 7.642 ( 0.000 -0.352 0.000) 0.352 7.969 ( 0.000 -10.862 0.000) 10.862 8.284 ( 0.000 7.376 0.000) 7.376 8.521 ( 0.000 -2.067 0.000) 2.067 8.612 ( 0.000 2.925 0.000) 2.925 8.642 ( 0.000 -0.644 0.000) 0.644 8.841 ( 0.000 4.791 0.000) 4.791 8.961 ( 0.000 -7.777 0.000) 7.777 9.164 ( 0.000 -6.635 0.000) 6.635 9.171 ( 0.000 -3.329 0.000) 3.329 9.193 ( 0.000 12.480 0.000) 12.480 9.299 ( 0.000 3.253 0.000) 3.253 9.420 ( 0.000 -4.134 0.000) 4.134 9.678 ( 0.000 -13.646 0.000) 13.646 9.716 ( 0.000 6.488 0.000) 6.488 10.107 ( 0.000 -15.746 0.000) 15.746 10.308 ( 0.000 11.154 0.000) 11.154 10.614 ( 0.000 -2.693 0.000) 2.693 11.025 ( 0.000 5.897 0.000) 5.897 11.161 ( 0.000 -1.559 0.000) 1.559 11.472 ( 0.000 2.328 0.000) 2.328 11.558 ( 0.000 -2.899 0.000) 2.899 12.579 ( 0.000 5.182 0.000) 5.182 12.945 ( 0.000 2.304 0.000) 2.304 12.990 ( 0.000 -11.425 0.000) 11.425 13.105 ( 0.000 -4.986 0.000) 4.986 13.194 ( 0.000 4.920 0.000) 4.920 13.327 ( 0.000 -6.104 0.000) 6.104 13.330 ( 0.000 3.038 0.000) 3.038 13.497 ( 0.000 -2.327 0.000) 2.327 13.534 ( 0.000 0.098 0.000) 0.098 13.540 ( 0.000 -4.265 0.000) 4.265 13.915 ( 0.000 6.194 0.000) 6.194 14.199 ( 0.000 -5.125 0.000) 5.125 14.391 ( 0.000 7.213 0.000) 7.213 14.484 ( 0.000 0.610 0.000) 0.610 14.510 ( 0.000 2.181 0.000) 2.181 14.616 ( 0.000 2.676 0.000) 2.676 15.001 ( 0.000 -5.945 0.000) 5.945 15.104 ( 0.000 -6.103 0.000) 6.103 15.522 ( 0.000 0.124 0.000) 0.124 15.895 ( 0.000 -15.070 0.000) 15.070 15.970 ( 0.000 9.450 0.000) 9.450 16.213 ( 0.000 -1.950 0.000) 1.950 16.242 ( 0.000 4.178 0.000) 4.178 16.359 ( 0.000 -4.976 0.000) 4.976 21.209 ( 0.000 2.264 0.000) 2.264 21.221 ( 0.000 1.712 0.000) 1.712 21.441 ( 0.000 5.122 0.000) 5.122 21.454 ( 0.000 3.301 0.000) 3.301 24.641 ( 0.000 0.872 0.000) 0.872 24.662 ( 0.000 0.169 0.000) 0.169 24.706 ( 0.000 3.067 0.000) 3.067 24.811 ( 0.000 -1.992 0.000) 1.992 25.129 ( 0.000 0.664 0.000) 0.664 25.195 ( 0.000 -2.061 0.000) 2.061 25.325 ( 0.000 0.945 0.000) 0.945 25.347 ( 0.000 -0.345 0.000) 0.345 26.249 ( 0.000 1.220 0.000) 1.220 26.285 ( 0.000 2.792 0.000) 2.792 26.291 ( 0.000 -1.420 0.000) 1.420 26.356 ( 0.000 -0.630 0.000) 0.630 27.066 ( 0.000 5.613 0.000) 5.613 27.334 ( 0.000 -5.545 0.000) 5.545 27.627 ( 0.000 3.626 0.000) 3.626 27.916 ( 0.000 -8.226 0.000) 8.226 28.084 ( 0.000 5.283 0.000) 5.283 28.286 ( 0.000 -6.027 0.000) 6.027 28.452 ( 0.000 3.946 0.000) 3.946 28.607 ( 0.000 -3.507 0.000) 3.507 28.939 ( 0.000 2.977 0.000) 2.977 28.971 ( 0.000 0.553 0.000) 0.553 29.359 ( 0.000 9.123 0.000) 9.123 29.763 ( 0.000 -10.103 0.000) 10.103 31.228 ( 0.000 0.585 0.000) 0.585 31.270 ( 0.000 -2.583 0.000) 2.583 32.114 ( 0.000 16.459 0.000) 16.459 32.720 ( 0.000 -13.913 0.000) 13.913 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 30.892 11.215 4.331) 33.149 1.188 ( 12.574 18.815 -2.488) 22.766 1.404 ( 11.962 -5.359 7.978) 15.344 1.684 ( -1.033 1.726 9.142) 9.360 1.753 ( 11.477 -9.038 -3.196) 14.954 1.896 ( 4.475 -7.170 -3.713) 9.231 1.994 ( 7.425 -12.222 -3.903) 14.824 2.249 ( 3.460 -11.113 6.200) 13.188 2.372 ( 2.657 -3.543 -1.843) 4.796 2.575 ( 1.781 -7.325 4.325) 8.691 2.706 ( -4.075 1.679 -0.531) 4.440 2.866 ( -7.188 1.235 -0.785) 7.336 2.994 ( 3.354 4.157 -5.561) 7.710 3.067 ( 4.155 -0.457 -5.985) 7.300 3.212 ( 0.833 -1.526 3.121) 3.572 3.225 ( -4.440 0.434 4.058) 6.031 3.281 ( -0.444 4.073 -2.391) 4.744 3.411 ( 1.199 2.249 5.812) 6.346 3.487 ( -1.970 -4.273 -5.302) 7.089 3.586 ( -2.025 0.784 -2.312) 3.172 3.792 ( 2.485 -2.102 2.826) 4.311 3.905 ( 1.437 -0.680 -2.481) 2.947 3.980 ( 1.464 -1.115 3.371) 3.840 4.008 ( -2.461 -2.101 0.689) 3.308 4.123 ( 3.775 5.300 0.088) 6.508 4.208 ( 3.797 -1.895 2.963) 5.176 4.215 ( 5.642 8.444 -4.814) 11.239 4.294 ( 5.611 0.883 0.082) 5.681 4.359 ( 8.305 2.417 1.214) 8.734 4.539 ( 6.564 -2.926 -4.971) 8.738 4.564 ( 5.939 -0.387 -1.178) 6.067 4.618 ( 2.724 -1.059 1.738) 3.400 4.760 ( 5.374 1.398 -1.154) 5.672 4.872 ( 2.506 0.243 -8.505) 8.870 5.119 ( 6.130 3.208 0.324) 6.927 5.222 ( 2.202 -1.039 -3.839) 4.547 5.379 ( 8.191 3.893 -1.409) 9.178 5.484 ( 4.975 -0.402 -4.055) 6.431 5.571 ( 2.547 5.394 3.726) 7.033 5.659 ( 6.258 0.723 1.598) 6.499 5.808 ( 5.403 2.539 -0.483) 5.989 5.911 ( 7.562 -1.270 5.828) 9.631 5.943 ( 10.524 -0.522 0.561) 10.552 5.947 ( 3.572 -3.142 6.555) 8.100 6.315 ( -0.432 11.000 -2.068) 11.201 6.479 ( 5.067 2.730 0.133) 5.757 6.591 ( 2.368 4.482 3.076) 5.929 6.732 ( 5.756 4.184 3.773) 8.054 6.824 ( 3.520 1.981 2.403) 4.700 7.021 ( 8.183 -5.409 1.945) 10.000 7.121 ( 3.169 0.802 -0.048) 3.270 7.230 ( 8.447 -3.991 -4.444) 10.346 7.370 ( 1.980 3.369 -0.078) 3.908 7.463 ( 1.679 -0.581 -2.432) 3.012 7.643 ( -1.214 -2.395 2.160) 3.446 7.906 ( -4.789 -8.493 -3.908) 10.504 8.234 ( -4.354 7.171 -0.300) 8.394 8.446 ( -10.795 3.620 3.588) 11.938 8.528 ( -3.439 -2.364 0.021) 4.173 8.667 ( 0.491 0.593 -2.728) 2.834 8.800 ( -0.781 -4.609 -4.568) 6.536 8.960 ( -1.987 -9.754 -0.012) 9.954 9.026 ( -8.336 5.311 -5.655) 11.387 9.177 ( -3.447 4.149 5.120) 7.437 9.224 ( -0.108 -2.618 4.182) 4.935 9.281 ( 2.489 3.813 3.056) 5.484 9.525 ( 6.861 -3.580 -5.251) 9.352 9.675 ( -1.028 -9.416 1.673) 9.619 9.757 ( 3.752 1.289 0.201) 3.972 10.029 ( -7.094 -10.037 0.791) 12.316 10.240 ( -7.545 8.779 3.138) 11.993 10.514 ( -11.375 -2.564 0.834) 11.690 11.070 ( 5.182 6.248 0.926) 8.170 11.258 ( 8.467 -0.987 -2.346) 8.842 11.446 ( -0.920 2.245 0.909) 2.591 11.632 ( 6.113 -3.703 -0.727) 7.184 12.566 ( -2.843 5.172 3.030) 6.634 12.903 ( -6.934 1.460 1.841) 7.321 12.948 ( -8.107 -9.396 1.394) 12.488 13.027 ( -7.195 -1.615 -7.936) 10.833 13.101 ( -4.022 -0.585 -1.047) 4.197 13.164 ( 0.222 -2.469 -1.094) 2.710 13.423 ( 3.172 0.579 0.917) 3.352 13.470 ( 0.707 -3.429 -1.644) 3.868 13.573 ( 5.120 1.584 1.460) 5.555 13.746 ( 8.169 -4.943 4.040) 10.367 13.919 ( 1.390 5.541 -2.327) 6.168 14.211 ( 0.626 -6.068 1.395) 6.257 14.401 ( 1.796 7.500 -1.789) 7.917 14.445 ( -4.699 4.631 3.248) 7.354 14.541 ( 1.335 1.190 3.640) 4.056 14.655 ( 6.135 -0.468 -6.317) 8.819 14.954 ( -0.177 -1.117 -4.277) 4.425 15.133 ( 0.193 -6.628 3.169) 7.349 15.504 ( -2.481 -1.029 1.468) 3.061 15.836 ( -5.114 -12.846 -2.085) 13.982 15.891 ( -5.345 8.438 -3.521) 10.591 16.131 ( -5.566 1.858 -5.734) 8.204 16.228 ( -3.133 0.742 4.397) 5.450 16.340 ( -4.533 -4.256 2.928) 6.873 21.193 ( -1.323 2.892 -0.412) 3.207 21.214 ( -1.010 1.629 0.634) 2.018 21.414 ( -3.054 4.809 0.682) 5.738 21.428 ( -2.054 2.943 -0.380) 3.608 24.673 ( -0.486 1.832 1.052) 2.168 24.691 ( 1.011 1.815 0.217) 2.089 24.701 ( 2.241 0.159 1.385) 2.639 24.799 ( -0.878 -1.870 -1.779) 2.726 25.194 ( 7.117 1.315 -0.398) 7.249 25.306 ( 9.469 -4.334 -0.163) 10.415 25.331 ( 3.199 2.913 -0.003) 4.327 25.475 ( 9.080 -5.034 3.034) 10.816 26.273 ( 4.164 1.720 -2.014) 4.935 26.340 ( 5.523 -1.537 -0.842) 5.795 26.398 ( 7.560 1.194 1.711) 7.843 26.472 ( 11.306 -2.274 5.654) 12.843 27.072 ( 1.011 5.323 -0.814) 5.479 27.333 ( -0.783 -4.844 1.278) 5.070 27.618 ( -0.613 2.414 -0.605) 2.562 27.873 ( -2.441 -7.035 -4.619) 8.762 28.105 ( 0.119 4.252 4.257) 6.018 28.233 ( -3.920 -2.063 -0.279) 4.439 28.498 ( 4.644 0.459 -4.522) 6.499 28.623 ( 0.758 -4.152 3.190) 5.290 28.903 ( -3.021 2.374 -0.659) 3.898 28.928 ( -4.335 0.624 0.387) 4.397 29.325 ( -3.359 8.835 -0.766) 9.483 29.687 ( -5.528 -7.186 -4.158) 9.975 31.220 ( -1.072 0.611 0.856) 1.502 31.260 ( -1.263 -2.398 0.587) 2.773 32.038 ( -9.046 14.019 2.724) 16.905 32.477 ( -20.448 -5.320 -3.253) 21.378 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 3.751 9.357 2.160) 10.310 1.460 ( 17.317 18.601 2.990) 25.589 1.685 ( 8.537 -1.874 5.123) 10.130 1.782 ( 5.811 -9.331 -5.024) 12.086 1.896 ( 12.157 -14.264 3.900) 19.143 2.080 ( 11.998 -7.795 -3.567) 14.746 2.156 ( 8.844 -3.149 7.460) 11.991 2.336 ( 2.647 -2.885 3.678) 5.372 2.481 ( 5.534 1.309 -2.991) 6.425 2.594 ( 0.282 -12.926 4.335) 13.636 2.668 ( -0.802 -2.581 6.176) 6.741 2.740 ( -2.887 2.032 -4.018) 5.348 2.957 ( -2.151 0.829 -5.462) 5.928 3.066 ( -3.741 -1.565 -4.157) 5.807 3.131 ( -3.922 0.624 -3.686) 5.419 3.205 ( -2.732 -3.503 -8.922) 9.967 3.265 ( -2.894 0.575 5.765) 6.476 3.330 ( -2.207 -7.371 -1.527) 7.844 3.487 ( 0.600 6.375 2.582) 6.904 3.671 ( 2.911 2.690 5.286) 6.607 3.808 ( -2.585 0.080 -4.121) 4.865 3.868 ( -2.621 -0.007 -0.816) 2.745 3.962 ( -0.177 -1.025 2.415) 2.629 4.023 ( 4.165 -5.131 -0.944) 6.676 4.209 ( 3.890 4.574 2.835) 6.640 4.317 ( 10.683 3.929 -4.825) 12.363 4.359 ( 5.595 8.307 3.218) 10.520 4.498 ( 11.217 2.722 2.372) 11.783 4.533 ( 8.252 1.297 1.841) 8.553 4.571 ( 5.697 -0.339 -6.562) 8.697 4.666 ( 3.031 -0.932 2.112) 3.810 4.764 ( 9.709 -2.611 -0.434) 10.063 4.835 ( 5.652 2.662 -4.030) 7.435 4.978 ( 14.870 -1.256 -6.556) 16.300 5.257 ( 10.061 3.782 -0.854) 10.782 5.345 ( 9.151 2.866 0.894) 9.631 5.488 ( 2.724 3.608 -1.447) 4.747 5.570 ( 9.644 -1.742 -1.540) 9.920 5.718 ( 5.575 3.440 1.862) 6.810 5.761 ( 5.734 2.730 5.510) 8.408 5.888 ( 4.508 2.348 0.429) 5.101 5.991 ( 2.147 -2.375 1.296) 3.454 6.092 ( 8.685 3.849 -1.335) 9.592 6.215 ( 11.827 -1.785 0.113) 11.962 6.411 ( 9.724 8.242 2.132) 12.924 6.613 ( 4.497 -0.497 1.904) 4.909 6.701 ( 9.270 4.990 0.082) 10.528 6.778 ( 4.288 2.924 6.301) 8.163 6.994 ( 9.467 5.678 3.553) 11.596 7.105 ( 1.136 1.529 -5.590) 5.906 7.254 ( 11.100 0.046 -1.545) 11.207 7.355 ( 3.534 -0.467 -5.474) 6.533 7.445 ( 10.835 -5.148 -0.252) 11.999 7.560 ( 8.369 -1.927 0.957) 8.641 7.652 ( 0.929 -5.140 4.036) 6.601 7.773 ( -4.796 -5.071 -4.734) 8.434 8.145 ( -5.045 6.300 0.219) 8.074 8.253 ( -11.236 4.373 1.944) 12.213 8.449 ( -4.943 -4.156 -1.287) 6.585 8.637 ( -0.338 2.534 -3.770) 4.556 8.761 ( -3.644 -11.121 3.786) 12.300 8.860 ( -4.398 3.599 -4.719) 7.386 8.900 ( -2.420 -8.779 -3.995) 9.944 9.142 ( -5.715 3.251 6.998) 9.602 9.205 ( -3.452 -1.292 -0.289) 3.697 9.346 ( 1.263 -1.353 2.432) 3.056 9.584 ( -0.766 -5.158 2.105) 5.623 9.658 ( -1.195 0.066 1.981) 2.315 9.824 ( 3.738 -2.025 -2.089) 4.737 9.902 ( -6.999 -6.836 0.550) 9.799 10.116 ( -7.183 6.432 2.614) 9.990 10.272 ( -12.546 -0.551 -1.777) 12.683 11.168 ( 3.690 6.738 0.747) 7.718 11.368 ( 4.712 6.294 -1.747) 8.054 11.498 ( 4.559 -4.230 3.482) 7.128 11.729 ( 5.216 -5.420 -2.949) 8.080 12.506 ( -6.801 4.482 3.784) 8.981 12.710 ( -11.345 4.103 -0.882) 12.096 12.746 ( -7.865 -6.489 -2.781) 10.568 12.930 ( -1.482 -6.277 -2.138) 6.795 13.086 ( 1.468 -0.104 0.007) 1.471 13.211 ( 2.686 -5.119 0.304) 5.789 13.474 ( 0.900 -0.358 0.210) 0.991 13.487 ( 2.393 -0.474 -0.922) 2.608 13.678 ( 5.184 2.246 0.635) 5.685 13.852 ( 1.758 2.040 1.063) 2.895 13.948 ( 3.651 -1.139 -1.815) 4.233 14.241 ( 1.513 -8.340 1.371) 8.587 14.380 ( -5.255 8.954 5.608) 11.799 14.425 ( 2.885 7.068 -3.793) 8.524 14.609 ( 3.761 0.127 1.987) 4.256 14.722 ( 6.414 -3.100 -7.310) 10.207 14.984 ( 5.322 1.128 -1.191) 5.569 15.151 ( -0.176 -4.548 2.505) 5.196 15.459 ( -3.632 -3.014 2.095) 5.164 15.702 ( -6.918 -9.561 -2.371) 12.037 15.764 ( -6.773 5.723 0.568) 8.886 15.969 ( -7.072 2.027 -5.546) 9.213 16.159 ( -7.624 -0.639 3.280) 8.324 16.231 ( -8.861 -2.882 1.683) 9.469 21.164 ( -1.450 3.119 -0.010) 3.439 21.195 ( -1.541 1.424 0.720) 2.219 21.350 ( -4.114 4.460 0.474) 6.087 21.387 ( -2.054 1.568 -0.303) 2.602 24.658 ( -0.716 3.319 0.301) 3.408 24.695 ( -1.549 1.898 0.523) 2.505 24.741 ( 0.860 -0.077 0.418) 0.960 24.783 ( 0.733 -1.489 -1.122) 2.003 25.334 ( 7.980 1.347 -1.656) 8.260 25.419 ( 5.697 0.189 1.799) 5.977 25.512 ( 12.956 -0.260 -3.130) 13.331 25.674 ( 9.751 -5.892 2.385) 11.640 26.365 ( 6.994 2.637 -1.903) 7.713 26.455 ( 7.564 -1.439 -1.300) 7.809 26.569 ( 9.190 2.668 1.198) 9.644 26.753 ( 10.533 -5.724 7.970) 14.395 27.091 ( 2.286 4.038 -2.207) 5.138 27.319 ( -2.439 -2.727 3.011) 4.738 27.604 ( -0.433 -0.853 -0.667) 1.166 27.775 ( -4.473 -5.320 -2.762) 7.479 28.142 ( 0.732 3.931 3.180) 5.109 28.166 ( -2.461 1.882 -2.109) 3.748 28.516 ( 1.701 -1.482 -5.700) 6.130 28.664 ( 1.725 -5.183 -2.133) 5.864 28.835 ( -4.245 1.423 1.214) 4.639 28.876 ( -1.752 -1.501 5.668) 6.119 29.233 ( -5.355 7.998 -1.472) 9.737 29.541 ( -5.935 -4.766 -4.492) 8.838 31.208 ( -1.165 0.302 1.616) 2.015 31.236 ( -1.568 -1.770 0.420) 2.402 31.842 ( -13.819 9.895 2.767) 17.220 32.071 ( -19.945 0.121 -1.166) 19.980 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.168 1.910 2.210) 2.926 1.675 ( -2.356 -10.471 -2.265) 10.969 1.777 ( 12.963 13.055 -2.376) 18.550 1.946 ( 6.570 0.506 2.464) 7.035 2.103 ( 5.833 -1.060 5.556) 8.125 2.240 ( 7.637 -6.738 2.294) 10.439 2.289 ( 2.277 -4.410 -4.876) 6.957 2.414 ( 9.670 -5.515 1.746) 11.268 2.581 ( 0.403 -1.898 -1.740) 2.606 2.653 ( 2.451 -8.568 -5.489) 10.467 2.701 ( -0.041 1.512 7.019) 7.180 2.725 ( 0.066 -3.728 6.552) 7.538 2.819 ( -7.786 -2.369 -3.492) 8.856 2.960 ( -0.071 4.611 -0.505) 4.639 2.994 ( -5.562 -4.224 -3.646) 7.879 3.195 ( 2.813 -2.947 -4.204) 5.854 3.256 ( -1.290 -4.406 0.585) 4.628 3.283 ( -4.006 -5.162 4.627) 8.007 3.412 ( -4.338 5.053 -6.466) 9.282 3.610 ( -6.769 -2.473 -3.734) 8.116 3.791 ( 1.125 5.020 6.476) 8.271 3.852 ( -2.219 4.931 1.307) 5.563 4.019 ( 2.999 5.350 2.584) 6.656 4.109 ( 3.200 -4.938 -1.360) 6.039 4.250 ( -0.172 1.311 -0.896) 1.597 4.437 ( 3.270 -2.352 -1.116) 4.180 4.470 ( 7.146 14.475 -0.182) 16.144 4.609 ( 1.839 5.654 0.280) 5.952 4.636 ( 6.119 3.820 -4.725) 8.624 4.737 ( 6.390 -1.337 2.358) 6.941 4.756 ( 6.780 -6.394 0.090) 9.320 4.883 ( 5.252 -3.139 0.281) 6.125 4.968 ( 9.387 7.447 -3.534) 12.492 5.228 ( 13.042 -1.573 -0.694) 13.154 5.398 ( 4.970 3.010 -2.520) 6.333 5.489 ( 2.556 4.576 2.052) 5.629 5.564 ( 8.336 0.562 0.531) 8.372 5.747 ( 9.364 -3.195 -0.216) 9.896 5.823 ( 7.262 3.508 1.950) 8.298 5.920 ( 6.954 2.917 -0.992) 7.606 6.008 ( 6.579 1.647 2.703) 7.301 6.076 ( 5.652 1.821 1.512) 6.127 6.209 ( 5.698 3.416 -1.636) 6.842 6.344 ( 1.386 -1.281 -0.424) 1.934 6.620 ( 13.480 5.876 0.549) 14.715 6.691 ( 8.155 2.802 -0.368) 8.631 6.883 ( 6.220 2.881 -1.595) 7.038 7.019 ( 9.856 3.092 8.808) 13.575 7.079 ( 4.404 5.444 -7.144) 10.003 7.240 ( 14.854 5.921 2.752) 16.225 7.314 ( 2.588 3.104 -2.545) 4.776 7.512 ( 11.679 -3.525 0.042) 12.200 7.620 ( 7.629 -7.087 -1.856) 10.577 7.665 ( -3.078 -6.882 -2.241) 7.865 7.712 ( 4.637 -0.980 2.931) 5.572 7.773 ( 8.860 -6.060 -0.027) 10.734 8.065 ( -4.577 6.072 1.714) 7.795 8.083 ( -7.067 4.536 0.713) 8.428 8.341 ( -4.995 -5.102 -2.227) 7.479 8.615 ( 1.181 4.202 -3.912) 5.861 8.704 ( -5.752 -11.461 4.685) 13.652 8.769 ( -4.449 -1.698 1.301) 4.937 8.855 ( 1.185 -6.614 -5.100) 8.436 9.051 ( -7.528 -5.191 2.645) 9.519 9.146 ( -2.289 4.330 -0.051) 4.898 9.352 ( -2.501 -4.950 2.554) 6.106 9.482 ( -9.398 -0.035 0.877) 9.439 9.621 ( -9.458 -2.309 4.816) 10.862 9.792 ( -1.685 -0.547 -2.270) 2.879 9.877 ( 3.180 -1.875 -2.426) 4.417 10.049 ( -2.022 1.385 0.470) 2.495 10.083 ( -5.992 0.189 -0.037) 5.995 11.216 ( 1.747 9.360 -0.376) 9.529 11.432 ( 2.486 7.772 1.564) 8.309 11.597 ( 2.255 -7.326 2.375) 8.024 11.777 ( 3.820 -7.189 -4.673) 9.387 12.397 ( -6.188 2.921 1.780) 7.070 12.538 ( -6.964 5.155 1.223) 8.750 12.638 ( -3.050 -3.578 -2.338) 5.251 12.925 ( 1.985 -5.892 -0.510) 6.238 13.126 ( 2.229 -0.784 1.422) 2.758 13.250 ( 1.485 -6.408 0.324) 6.586 13.474 ( -1.134 0.430 -0.818) 1.463 13.491 ( -1.394 -0.083 -0.771) 1.596 13.762 ( 2.821 5.163 1.403) 6.049 13.895 ( 4.615 5.575 -3.386) 7.990 13.996 ( 1.951 -4.063 -0.272) 4.515 14.281 ( 2.219 -9.334 -0.824) 9.629 14.362 ( -1.179 10.151 7.273) 12.543 14.452 ( 3.745 5.369 -4.629) 8.018 14.703 ( 4.889 -0.222 0.948) 4.985 14.775 ( 4.166 -2.325 -5.398) 7.203 15.093 ( 6.188 -0.485 -0.376) 6.218 15.177 ( 1.039 -1.876 3.130) 3.794 15.412 ( -2.706 -4.553 1.568) 5.524 15.565 ( -6.019 -7.811 -1.211) 9.935 15.657 ( -6.413 3.183 3.492) 7.966 15.797 ( -7.202 1.219 -4.529) 8.594 16.005 ( -10.415 -1.377 1.264) 10.581 16.053 ( -11.020 -2.115 0.386) 11.227 21.142 ( -0.930 2.575 0.195) 2.745 21.171 ( -1.575 1.149 0.741) 2.086 21.281 ( -3.329 4.340 0.051) 5.470 21.347 ( -1.923 0.511 -0.442) 2.038 24.648 ( -0.976 3.143 0.389) 3.314 24.672 ( -0.791 3.164 0.582) 3.313 24.745 ( -0.211 -0.216 -0.372) 0.479 24.789 ( 0.411 -1.100 -0.807) 1.424 25.448 ( 5.810 0.892 -2.190) 6.273 25.545 ( 5.850 -2.403 2.275) 6.721 25.715 ( 10.920 2.993 -2.880) 11.683 25.859 ( 8.583 -2.943 1.017) 9.131 26.481 ( 6.492 3.073 -1.383) 7.315 26.583 ( 6.797 -1.555 -0.933) 7.035 26.731 ( 7.522 3.558 0.050) 8.321 26.923 ( 1.927 -2.184 6.034) 6.700 27.120 ( 3.521 0.908 -4.611) 5.873 27.303 ( -2.711 -2.406 6.483) 7.428 27.567 ( -2.931 -0.649 -1.316) 3.277 27.714 ( -0.896 -4.540 1.422) 4.841 28.098 ( -1.463 5.471 -6.556) 8.663 28.185 ( 1.538 3.974 3.036) 5.232 28.473 ( -1.974 -2.879 -5.874) 6.833 28.668 ( 2.513 -4.314 -2.515) 5.590 28.795 ( -2.365 2.351 4.070) 5.262 28.934 ( 1.907 -7.387 5.843) 9.610 29.119 ( -5.397 7.081 -1.794) 9.082 29.418 ( -4.098 -5.787 -3.238) 7.795 31.205 ( -0.377 0.052 1.674) 1.717 31.218 ( -0.442 -0.915 0.235) 1.043 31.606 ( -12.644 6.613 1.407) 14.338 31.742 ( -15.437 -0.034 -0.087) 15.437 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 1.971 -6.232 -5.059) 8.266 1.607 ( -4.428 -16.157 -0.497) 16.761 1.896 ( 2.158 7.748 6.343) 10.243 2.037 ( 3.000 4.956 -2.058) 6.148 2.231 ( 3.468 -1.084 -3.816) 5.269 2.284 ( -0.087 -6.671 4.750) 8.190 2.440 ( 11.749 5.124 -0.548) 12.829 2.484 ( -2.153 -1.111 -5.431) 5.947 2.546 ( -0.631 -6.128 -1.725) 6.397 2.590 ( -3.902 3.443 0.523) 5.230 2.712 ( 3.454 -3.404 -1.243) 5.006 2.758 ( 0.338 -3.619 0.669) 3.696 2.829 ( 3.606 -6.107 4.086) 8.184 2.898 ( -1.011 -2.631 -0.546) 2.871 2.993 ( -1.009 0.526 -6.030) 6.136 3.106 ( -6.184 2.853 6.149) 9.176 3.147 ( -6.643 -5.734 -5.014) 10.107 3.270 ( -4.131 -3.809 2.615) 6.198 3.413 ( 3.907 4.153 1.577) 5.916 3.591 ( 5.427 -0.711 4.894) 7.342 3.781 ( -3.837 6.284 -1.655) 7.547 3.865 ( 0.733 2.562 5.355) 5.982 3.979 ( -4.352 8.036 -8.475) 12.464 4.155 ( 1.088 3.444 1.690) 3.988 4.245 ( 0.479 -7.497 2.250) 7.841 4.437 ( -1.132 -2.503 -1.632) 3.195 4.586 ( 3.963 13.064 -1.270) 13.711 4.616 ( 0.126 2.484 -1.011) 2.685 4.712 ( 5.463 8.766 -1.202) 10.399 4.805 ( -0.251 -9.086 -1.522) 9.216 4.853 ( 4.518 -1.544 1.472) 4.996 4.978 ( 3.785 -1.678 1.411) 4.374 5.066 ( 3.139 4.391 -3.348) 6.351 5.396 ( 4.239 4.928 0.363) 6.510 5.455 ( 5.416 1.909 -1.295) 5.886 5.540 ( 1.162 1.738 4.369) 4.844 5.657 ( -0.418 -3.723 -0.655) 3.804 5.898 ( 7.318 5.009 -1.422) 8.982 5.969 ( 6.727 2.997 1.807) 7.583 6.040 ( 4.536 1.320 -1.635) 4.999 6.134 ( 5.038 -0.465 0.474) 5.081 6.194 ( 5.766 0.024 -1.071) 5.864 6.242 ( 1.606 4.418 1.004) 4.807 6.378 ( 2.624 0.563 0.766) 2.791 6.773 ( 2.323 2.793 -2.365) 4.335 6.898 ( 6.575 -2.571 1.856) 7.300 6.981 ( 9.614 6.097 -0.047) 11.384 7.134 ( 7.575 0.392 -2.187) 7.895 7.224 ( 6.618 8.440 3.707) 11.348 7.402 ( 5.773 6.551 0.566) 8.750 7.534 ( 10.597 4.414 2.244) 11.697 7.581 ( -2.300 -2.862 -2.885) 4.670 7.635 ( 1.727 -5.926 1.234) 6.295 7.751 ( 6.803 -2.453 -3.771) 8.156 7.758 ( 0.888 -3.259 1.540) 3.712 7.853 ( -3.685 3.064 -2.854) 5.578 8.017 ( 3.270 -5.092 2.324) 6.483 8.093 ( 3.590 4.475 2.702) 6.342 8.235 ( -4.780 -7.547 -1.890) 9.131 8.606 ( -1.685 0.738 -1.451) 2.343 8.643 ( -1.770 -9.449 1.976) 9.814 8.727 ( -0.687 -2.941 -0.167) 3.025 8.822 ( -4.061 -4.245 1.026) 5.964 8.970 ( 0.093 -9.259 -1.537) 9.386 9.114 ( -1.129 6.158 -0.421) 6.275 9.262 ( -10.582 0.033 4.662) 11.563 9.357 ( -1.445 -3.794 -2.413) 4.723 9.444 ( -9.290 -4.136 0.957) 10.214 9.772 ( -0.560 2.002 0.062) 2.080 9.889 ( -0.440 -3.845 -1.726) 4.237 10.008 ( -0.420 1.735 0.072) 1.787 10.063 ( 0.355 0.662 0.501) 0.903 11.236 ( 0.777 10.837 -0.348) 10.871 11.480 ( 1.110 5.750 2.273) 6.282 11.606 ( -0.911 -8.035 -0.950) 8.143 11.817 ( 2.948 -8.180 -2.079) 8.940 12.323 ( -2.957 3.465 0.894) 4.642 12.475 ( -1.984 8.647 3.200) 9.431 12.572 ( -1.995 -3.145 -3.227) 4.928 12.978 ( 2.777 -6.664 0.912) 7.276 13.188 ( 3.217 -0.952 1.302) 3.599 13.284 ( 2.285 -5.765 0.077) 6.202 13.419 ( -3.699 0.099 -0.727) 3.772 13.433 ( -3.916 -0.730 -0.690) 4.043 13.808 ( 1.159 9.482 1.304) 9.642 13.950 ( 4.184 4.574 -4.608) 7.724 14.012 ( -0.502 -3.116 1.244) 3.392 14.306 ( 1.498 -6.989 -0.975) 7.214 14.451 ( 4.725 7.935 5.338) 10.667 14.492 ( 3.499 4.001 -3.313) 6.263 14.750 ( -1.621 -0.147 -1.678) 2.338 14.812 ( 4.037 -1.927 -1.323) 4.665 15.179 ( 3.472 -0.929 -0.449) 3.622 15.244 ( 2.845 -1.359 2.839) 4.242 15.383 ( -1.791 -3.661 1.603) 4.379 15.486 ( -0.996 -8.261 -1.166) 8.402 15.593 ( -2.602 0.758 3.247) 4.229 15.656 ( -4.389 0.631 -2.475) 5.078 15.817 ( -10.264 -1.313 0.276) 10.352 15.847 ( -10.107 -2.493 -0.946) 10.453 21.132 ( -0.346 1.955 0.077) 1.987 21.151 ( -1.057 1.027 0.566) 1.579 21.234 ( -1.721 4.155 -0.085) 4.498 21.314 ( -1.276 -0.010 -0.381) 1.332 24.633 ( -0.604 3.469 0.096) 3.522 24.671 ( -0.130 3.873 0.871) 3.972 24.734 ( -0.321 -0.532 -0.681) 0.922 24.786 ( -0.067 -0.810 -0.479) 0.944 25.515 ( 3.047 0.976 -1.389) 3.489 25.652 ( 3.705 -4.958 1.714) 6.423 25.854 ( 5.903 5.468 -1.883) 8.264 25.990 ( 4.860 -0.802 0.332) 4.937 26.572 ( 4.015 2.663 -0.716) 4.871 26.673 ( 3.112 -2.059 -0.326) 3.746 26.841 ( 5.054 3.499 -1.401) 6.304 26.941 ( -2.621 1.712 3.330) 4.571 27.147 ( 3.095 -1.378 -4.694) 5.789 27.309 ( -2.893 -6.568 7.181) 10.152 27.525 ( -0.353 5.168 0.442) 5.198 27.723 ( -0.175 -3.335 0.792) 3.432 28.028 ( -0.687 5.057 -4.951) 7.110 28.240 ( 1.755 2.798 2.621) 4.216 28.374 ( -2.852 -0.509 -6.064) 6.720 28.727 ( 3.503 -4.595 1.229) 5.907 28.795 ( -0.882 2.851 2.887) 4.153 29.001 ( 1.005 -9.783 3.302) 10.374 29.017 ( -3.570 6.155 -2.271) 7.469 29.344 ( -1.914 -7.775 -1.637) 8.173 31.222 ( 1.175 0.508 1.068) 1.667 31.233 ( 1.950 -0.141 0.472) 2.012 31.418 ( -8.265 3.752 0.398) 9.086 31.500 ( -10.525 -0.460 -0.412) 10.543 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 -8.187 0.000) 8.187 1.542 ( 0.000 -19.150 0.000) 19.150 1.985 ( 0.000 9.933 0.000) 9.933 2.023 ( 0.000 1.719 -0.000) 1.719 2.206 ( 0.000 -4.954 0.000) 4.954 2.348 ( 0.000 3.238 0.000) 3.238 2.403 ( 0.000 -4.976 -0.000) 4.976 2.482 ( 0.000 -7.189 0.000) 7.189 2.561 ( 0.000 4.809 0.000) 4.809 2.672 ( 0.000 -4.464 0.000) 4.464 2.701 ( -0.000 7.585 -0.000) 7.585 2.801 ( -0.000 -1.736 -0.000) 1.736 2.815 ( 0.000 -1.752 0.000) 1.752 2.920 ( -0.000 -2.199 0.000) 2.199 2.926 ( 0.000 -2.480 -0.000) 2.480 3.032 ( 0.000 -5.279 -0.000) 5.279 3.135 ( -0.000 0.929 -0.000) 0.929 3.206 ( 0.000 -2.902 0.000) 2.902 3.470 ( 0.000 8.194 0.000) 8.194 3.723 ( -0.000 5.443 -0.000) 5.443 3.727 ( 0.000 0.773 0.000) 0.773 3.862 ( 0.000 7.412 0.000) 7.412 3.889 ( 0.000 -0.774 -0.000) 0.774 4.146 ( 0.000 0.947 0.000) 0.947 4.285 ( 0.000 -8.516 -0.000) 8.516 4.413 ( 0.000 -1.837 0.000) 1.837 4.607 ( -0.000 15.238 0.000) 15.238 4.611 ( 0.000 1.489 -0.000) 1.489 4.774 ( 0.000 9.917 -0.000) 9.917 4.786 ( 0.000 -8.568 0.000) 8.568 4.906 ( -0.000 -1.032 0.000) 1.032 5.042 ( -0.000 8.408 -0.000) 8.408 5.045 ( 0.000 -8.485 0.000) 8.485 5.427 ( 0.000 8.855 0.000) 8.855 5.550 ( 0.000 -11.102 0.000) 11.102 5.576 ( 0.000 -1.204 0.000) 1.204 5.595 ( 0.000 10.695 -0.000) 10.695 5.980 ( 0.000 12.886 0.000) 12.886 6.023 ( 0.000 2.983 -0.000) 2.983 6.064 ( 0.000 -6.716 0.000) 6.716 6.164 ( 0.000 1.478 0.000) 1.478 6.268 ( 0.000 -3.161 -0.000) 3.161 6.294 ( -0.000 4.784 0.000) 4.784 6.406 ( 0.000 -0.341 0.000) 0.341 6.772 ( 0.000 2.871 0.000) 2.871 6.928 ( 0.000 -4.830 0.000) 4.830 7.114 ( 0.000 6.022 0.000) 6.022 7.250 ( 0.000 -0.546 0.000) 0.546 7.300 ( 0.000 8.694 -0.000) 8.694 7.447 ( 0.000 5.906 0.000) 5.906 7.541 ( 0.000 -3.613 0.000) 3.613 7.613 ( 0.000 1.298 0.000) 1.298 7.691 ( -0.000 5.956 -0.000) 5.956 7.744 ( 0.000 -0.496 0.000) 0.496 7.797 ( 0.000 1.920 -0.000) 1.920 7.799 ( -0.000 -3.279 0.000) 3.279 8.104 ( 0.000 1.252 0.000) 1.252 8.131 ( 0.000 -11.267 -0.000) 11.267 8.173 ( -0.000 -4.638 0.000) 4.638 8.562 ( 0.000 -6.411 -0.000) 6.411 8.669 ( 0.000 0.256 0.000) 0.256 8.696 ( -0.000 -9.154 -0.000) 9.154 8.783 ( -0.000 0.105 0.000) 0.105 8.996 ( 0.000 -13.767 0.000) 13.767 9.091 ( 0.000 6.798 0.000) 6.798 9.160 ( 0.000 5.178 0.000) 5.178 9.337 ( 0.000 -5.055 0.000) 5.055 9.356 ( 0.000 -5.224 0.000) 5.224 9.767 ( -0.000 2.156 0.000) 2.156 9.871 ( 0.000 -4.372 0.000) 4.372 10.011 ( 0.000 2.338 0.000) 2.338 10.070 ( 0.000 0.897 0.000) 0.897 11.241 ( 0.000 10.996 0.000) 10.996 11.501 ( 0.000 5.481 -0.000) 5.481 11.587 ( 0.000 -9.139 0.000) 9.139 11.838 ( 0.000 -8.301 0.000) 8.301 12.299 ( 0.000 3.945 0.000) 3.945 12.484 ( 0.000 16.162 0.000) 16.162 12.529 ( 0.000 -8.902 0.000) 8.902 13.011 ( 0.000 -7.537 0.000) 7.537 13.238 ( 0.000 -0.938 0.000) 0.938 13.329 ( -0.000 -5.279 0.000) 5.279 13.365 ( -0.000 -0.614 0.000) 0.614 13.366 ( 0.000 -0.096 -0.000) 0.096 13.824 ( 0.000 10.852 0.000) 10.852 13.973 ( -0.000 4.416 0.000) 4.416 14.008 ( 0.000 -2.581 0.000) 2.581 14.318 ( 0.000 -6.928 0.000) 6.928 14.514 ( 0.000 3.832 0.000) 3.832 14.548 ( 0.000 9.778 0.000) 9.778 14.694 ( 0.000 -2.059 0.000) 2.059 14.851 ( 0.000 -2.517 0.000) 2.517 15.213 ( 0.000 -0.103 0.000) 0.103 15.277 ( 0.000 -1.194 0.000) 1.194 15.379 ( -0.000 -3.549 0.000) 3.549 15.483 ( 0.000 -9.090 0.000) 9.090 15.616 ( 0.000 1.162 0.000) 1.162 15.644 ( -0.000 0.056 -0.000) 0.056 15.646 ( 0.000 -1.236 0.000) 1.236 15.731 ( 0.000 -3.543 0.000) 3.543 21.129 ( 0.000 1.683 0.000) 1.683 21.143 ( 0.000 1.053 0.000) 1.053 21.217 ( 0.000 4.013 0.000) 4.013 21.300 ( 0.000 -0.155 0.000) 0.155 24.628 ( 0.000 3.672 0.000) 3.672 24.674 ( 0.000 4.288 0.000) 4.288 24.728 ( 0.000 -0.857 -0.000) 0.857 24.783 ( 0.000 -0.708 0.000) 0.708 25.538 ( 0.000 1.129 0.000) 1.129 25.694 ( 0.000 -6.056 0.000) 6.056 25.901 ( 0.000 6.467 0.000) 6.467 26.037 ( 0.000 -0.101 0.000) 0.101 26.609 ( -0.000 2.167 0.000) 2.167 26.697 ( 0.000 -2.183 0.000) 2.183 26.894 ( 0.000 3.533 -0.000) 3.533 26.913 ( -0.000 2.436 0.000) 2.436 27.159 ( 0.000 -1.645 0.000) 1.645 27.305 ( 0.000 -8.367 -0.000) 8.367 27.537 ( 0.000 7.648 0.000) 7.648 27.717 ( 0.000 -1.633 -0.000) 1.633 28.006 ( 0.000 3.567 0.000) 3.567 28.276 ( 0.000 -9.274 0.000) 9.274 28.311 ( 0.000 12.100 -0.000) 12.100 28.778 ( 0.000 -5.724 0.000) 5.724 28.794 ( 0.000 3.441 0.000) 3.441 28.966 ( 0.000 7.987 0.000) 7.987 29.024 ( 0.000 -11.867 -0.000) 11.867 29.321 ( 0.000 -8.696 0.000) 8.696 31.253 ( 0.000 1.688 0.000) 1.688 31.277 ( 0.000 0.629 0.000) 0.629 31.327 ( 0.000 1.643 0.000) 1.643 31.375 ( 0.000 -0.960 0.000) 0.960 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 -19.488 0.000) 19.488 0.900 ( 0.000 19.488 0.000) 19.488 1.509 ( 0.000 -7.431 0.000) 7.431 1.509 ( 0.000 7.431 0.000) 7.431 1.713 ( 0.000 -16.520 0.000) 16.520 1.713 ( 0.000 16.520 0.000) 16.520 1.863 ( 0.000 -0.007 0.000) 0.007 1.863 ( 0.000 0.007 0.000) 0.007 2.480 ( 0.000 -1.120 0.000) 1.120 2.480 ( 0.000 1.120 0.000) 1.120 2.824 ( 0.000 -5.637 0.000) 5.637 2.824 ( 0.000 5.637 0.000) 5.637 3.049 ( 0.000 -2.738 0.000) 2.738 3.049 ( 0.000 2.738 0.000) 2.738 3.192 ( 0.000 -1.642 0.000) 1.642 3.192 ( 0.000 1.642 0.000) 1.642 3.376 ( 0.000 -0.359 0.000) 0.359 3.376 ( 0.000 0.359 0.000) 0.359 3.668 ( 0.000 -12.705 0.000) 12.705 3.668 ( 0.000 12.705 0.000) 12.705 3.738 ( 0.000 -3.054 0.000) 3.054 3.738 ( 0.000 3.054 0.000) 3.054 3.901 ( 0.000 -1.627 0.000) 1.627 3.901 ( 0.000 1.627 0.000) 1.627 4.219 ( 0.000 -4.400 0.000) 4.400 4.219 ( 0.000 4.400 0.000) 4.400 4.247 ( 0.000 -2.547 0.000) 2.547 4.247 ( 0.000 2.547 0.000) 2.547 4.327 ( 0.000 -1.306 0.000) 1.306 4.327 ( 0.000 1.306 0.000) 1.306 4.577 ( 0.000 -3.065 0.000) 3.065 4.577 ( 0.000 3.065 0.000) 3.065 4.804 ( 0.000 -7.695 0.000) 7.695 4.804 ( 0.000 7.695 0.000) 7.695 5.171 ( 0.000 -5.292 0.000) 5.292 5.171 ( 0.000 5.292 0.000) 5.292 5.380 ( 0.000 -4.526 0.000) 4.526 5.380 ( 0.000 4.526 0.000) 4.526 5.612 ( 0.000 -0.534 0.000) 0.534 5.612 ( 0.000 0.534 0.000) 0.534 5.710 ( 0.000 -1.373 0.000) 1.373 5.710 ( 0.000 1.373 0.000) 1.373 5.878 ( 0.000 -1.274 0.000) 1.274 5.878 ( 0.000 1.274 0.000) 1.274 6.506 ( 0.000 -2.789 0.000) 2.789 6.506 ( 0.000 2.789 0.000) 2.789 6.630 ( 0.000 -2.888 0.000) 2.888 6.630 ( 0.000 2.888 0.000) 2.888 6.833 ( 0.000 -4.682 0.000) 4.682 6.833 ( 0.000 4.682 0.000) 4.682 7.088 ( 0.000 -2.463 0.000) 2.463 7.088 ( 0.000 2.463 0.000) 2.463 7.431 ( 0.000 -3.031 0.000) 3.031 7.431 ( 0.000 3.031 0.000) 3.031 7.758 ( 0.000 -10.224 0.000) 10.224 7.758 ( 0.000 10.224 0.000) 10.224 8.444 ( 0.000 -7.159 0.000) 7.159 8.444 ( 0.000 7.159 0.000) 7.159 8.635 ( 0.000 -0.342 0.000) 0.342 8.635 ( 0.000 0.342 0.000) 0.342 8.886 ( 0.000 -0.089 0.000) 0.089 8.886 ( 0.000 0.089 0.000) 0.089 9.089 ( 0.000 -1.821 0.000) 1.821 9.089 ( 0.000 1.821 0.000) 1.821 9.373 ( 0.000 -3.130 0.000) 3.130 9.373 ( 0.000 3.130 0.000) 3.130 9.435 ( 0.000 -12.275 0.000) 12.275 9.435 ( 0.000 12.275 0.000) 12.275 9.847 ( 0.000 -9.838 0.000) 9.838 9.847 ( 0.000 9.838 0.000) 9.838 10.512 ( 0.000 -8.458 0.000) 8.458 10.512 ( 0.000 8.458 0.000) 8.458 11.118 ( 0.000 -3.521 0.000) 3.521 11.118 ( 0.000 3.521 0.000) 3.521 11.509 ( 0.000 -1.979 0.000) 1.979 11.509 ( 0.000 1.979 0.000) 1.979 12.744 ( 0.000 -11.977 0.000) 11.977 12.744 ( 0.000 11.977 0.000) 11.977 13.011 ( 0.000 -4.518 0.000) 4.518 13.011 ( 0.000 4.518 0.000) 4.518 13.256 ( 0.000 -2.371 0.000) 2.371 13.256 ( 0.000 2.371 0.000) 2.371 13.412 ( 0.000 -5.235 0.000) 5.235 13.412 ( 0.000 5.235 0.000) 5.235 13.525 ( 0.000 -0.856 0.000) 0.856 13.525 ( 0.000 0.856 0.000) 0.856 14.061 ( 0.000 -8.327 0.000) 8.327 14.061 ( 0.000 8.327 0.000) 8.327 14.489 ( 0.000 -0.875 0.000) 0.875 14.489 ( 0.000 0.875 0.000) 0.875 14.577 ( 0.000 -5.913 0.000) 5.913 14.577 ( 0.000 5.913 0.000) 5.913 14.988 ( 0.000 -4.637 0.000) 4.637 14.988 ( 0.000 4.637 0.000) 4.637 15.636 ( 0.000 -10.880 0.000) 10.880 15.636 ( 0.000 10.880 0.000) 10.880 16.130 ( 0.000 -6.989 0.000) 6.989 16.130 ( 0.000 6.989 0.000) 6.989 16.296 ( 0.000 -2.034 0.000) 2.034 16.296 ( 0.000 2.034 0.000) 2.034 21.236 ( 0.000 -0.347 0.000) 0.347 21.236 ( 0.000 0.347 0.000) 0.347 21.491 ( 0.000 -0.028 0.000) 0.028 21.491 ( 0.000 0.028 0.000) 0.028 24.657 ( 0.000 -0.652 0.000) 0.652 24.657 ( 0.000 0.652 0.000) 0.652 24.765 ( 0.000 -2.877 0.000) 2.877 24.765 ( 0.000 2.877 0.000) 2.877 25.155 ( 0.000 -1.931 0.000) 1.931 25.155 ( 0.000 1.931 0.000) 1.931 25.339 ( 0.000 -0.534 0.000) 0.534 25.339 ( 0.000 0.534 0.000) 0.534 26.268 ( 0.000 -1.063 0.000) 1.063 26.268 ( 0.000 1.063 0.000) 1.063 26.333 ( 0.000 -1.889 0.000) 1.889 26.333 ( 0.000 1.889 0.000) 1.889 27.196 ( 0.000 -7.708 0.000) 7.708 27.196 ( 0.000 7.708 0.000) 7.708 27.753 ( 0.000 -8.346 0.000) 8.346 27.753 ( 0.000 8.346 0.000) 8.346 28.181 ( 0.000 -5.110 0.000) 5.110 28.181 ( 0.000 5.110 0.000) 5.110 28.532 ( 0.000 -4.229 0.000) 4.229 28.532 ( 0.000 4.229 0.000) 4.229 28.972 ( 0.000 -0.680 0.000) 0.680 28.972 ( 0.000 0.680 0.000) 0.680 29.557 ( 0.000 -11.095 0.000) 11.095 29.557 ( 0.000 11.095 0.000) 11.095 31.240 ( 0.000 -0.859 0.000) 0.859 31.240 ( 0.000 0.859 0.000) 0.859 32.429 ( 0.000 -16.268 0.000) 16.268 32.429 ( 0.000 16.268 0.000) 16.268 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 25.514 -9.163 4.099) 27.418 1.213 ( 25.514 9.163 4.099) 27.418 1.522 ( 3.744 -11.347 -2.879) 12.291 1.522 ( 3.744 11.347 -2.879) 12.291 1.742 ( 4.655 -9.751 -7.686) 13.260 1.742 ( 4.655 9.751 -7.686) 13.260 2.036 ( 10.659 -10.458 13.453) 20.099 2.036 ( 10.659 10.458 13.453) 20.099 2.415 ( -4.593 -7.616 0.247) 8.898 2.415 ( -4.593 7.616 0.247) 8.898 2.784 ( -3.014 -5.950 -0.693) 6.706 2.784 ( -3.014 5.950 -0.693) 6.706 3.113 ( 4.643 -0.446 -4.041) 6.171 3.113 ( 4.643 0.446 -4.041) 6.171 3.179 ( -3.429 -1.670 2.032) 4.321 3.179 ( -3.429 1.670 2.032) 4.321 3.352 ( -3.351 -5.241 -2.688) 6.777 3.352 ( -3.351 5.241 -2.688) 6.777 3.551 ( -0.694 -6.178 -0.301) 6.224 3.551 ( -0.694 6.178 -0.301) 6.224 3.831 ( 1.847 -5.995 3.701) 7.284 3.831 ( 1.847 5.995 3.701) 7.284 3.966 ( 1.521 -0.700 2.184) 2.752 3.966 ( 1.521 0.700 2.184) 2.752 4.163 ( 2.153 -4.165 -2.473) 5.301 4.163 ( 2.153 4.165 -2.473) 5.301 4.320 ( 7.120 -2.551 -2.587) 7.993 4.320 ( 7.120 2.551 -2.587) 7.993 4.445 ( 10.075 -5.744 -0.054) 11.598 4.445 ( 10.075 5.744 -0.054) 11.598 4.596 ( 0.973 -1.732 2.149) 2.926 4.596 ( 0.973 1.732 2.149) 2.926 4.824 ( 4.241 -4.447 -5.354) 8.150 4.824 ( 4.241 4.447 -5.354) 8.150 5.176 ( 5.225 -3.043 -1.764) 6.299 5.176 ( 5.225 3.043 -1.764) 6.299 5.449 ( 6.796 -3.045 -3.889) 8.402 5.449 ( 6.796 3.045 -3.889) 8.402 5.650 ( 3.486 -2.193 2.715) 4.933 5.650 ( 3.486 2.193 2.715) 4.933 5.859 ( 9.451 -3.225 4.978) 11.159 5.859 ( 9.451 3.225 4.978) 11.159 5.931 ( 5.599 -0.921 1.021) 5.766 5.931 ( 5.599 0.921 1.021) 5.766 6.476 ( 0.631 -4.127 -1.206) 4.346 6.476 ( 0.631 4.127 -1.206) 4.346 6.700 ( 1.734 -6.168 4.489) 7.823 6.700 ( 1.734 6.168 4.489) 7.823 6.916 ( 8.713 -5.927 2.538) 10.839 6.916 ( 8.713 5.927 2.538) 10.839 7.146 ( 7.322 -3.516 -3.297) 8.766 7.146 ( 7.322 3.516 -3.297) 8.766 7.428 ( 0.363 -2.802 -1.669) 3.282 7.428 ( 0.363 2.802 -1.669) 3.282 7.727 ( -2.718 -8.782 -0.691) 9.219 7.727 ( -2.718 8.782 -0.691) 9.219 8.408 ( -4.125 -8.106 0.965) 9.147 8.408 ( -4.125 8.106 0.965) 9.147 8.592 ( -6.693 -8.752 3.497) 11.559 8.592 ( -6.693 8.752 3.497) 11.559 8.778 ( -2.776 -6.581 -9.364) 11.778 8.778 ( -2.776 6.581 -9.364) 11.778 9.141 ( 0.312 -4.971 1.480) 5.196 9.141 ( 0.312 4.971 1.480) 5.196 9.283 ( -5.444 -6.354 2.672) 8.783 9.283 ( -5.444 6.354 2.672) 8.783 9.538 ( 6.055 -6.723 1.221) 9.129 9.538 ( 6.055 6.723 1.221) 9.129 9.825 ( -1.902 -7.675 -0.370) 7.916 9.825 ( -1.902 7.675 -0.370) 7.916 10.420 ( -9.354 -7.598 1.118) 12.103 10.420 ( -9.354 7.598 1.118) 12.103 11.189 ( 6.259 -5.567 0.397) 8.386 11.189 ( 6.259 5.567 0.397) 8.386 11.536 ( 2.805 -5.940 -0.384) 6.580 11.536 ( 2.805 5.940 -0.384) 6.580 12.719 ( -4.298 -10.733 3.203) 11.997 12.719 ( -4.298 10.733 3.203) 11.997 12.968 ( -7.637 -3.392 -1.220) 8.445 12.968 ( -7.637 3.392 -1.220) 8.445 13.125 ( -2.968 -1.869 -2.856) 4.523 13.125 ( -2.968 1.869 -2.856) 4.523 13.438 ( 2.542 -0.827 -1.685) 3.160 13.438 ( 2.542 0.827 -1.685) 3.160 13.638 ( 6.882 -5.161 2.027) 8.838 13.638 ( 6.882 5.161 2.027) 8.838 14.063 ( 0.469 -8.477 -0.788) 8.527 14.063 ( 0.469 8.477 -0.788) 8.527 14.494 ( -0.438 -0.782 1.861) 2.066 14.494 ( -0.438 0.782 1.861) 2.066 14.593 ( 2.852 -5.641 -2.706) 6.876 14.593 ( 2.852 5.641 -2.706) 6.876 15.005 ( 1.204 -6.024 1.614) 6.352 15.005 ( 1.204 6.024 1.614) 6.352 15.591 ( -3.631 -9.825 -1.960) 10.657 15.591 ( -3.631 9.825 -1.960) 10.657 16.060 ( -5.472 -7.428 -2.827) 9.649 16.060 ( -5.472 7.428 -2.827) 9.649 16.276 ( -3.958 -2.986 2.920) 5.754 16.276 ( -3.958 2.986 2.920) 5.754 21.226 ( -1.050 -0.543 0.165) 1.193 21.226 ( -1.050 0.543 0.165) 1.193 21.461 ( -2.929 -0.091 0.099) 2.932 21.461 ( -2.929 0.091 0.099) 2.932 24.693 ( 2.052 -0.663 1.655) 2.718 24.693 ( 2.052 0.663 1.655) 2.718 24.749 ( -0.796 -3.091 -1.116) 3.381 24.749 ( -0.796 3.091 -1.116) 3.381 25.235 ( 7.700 -2.969 -0.075) 8.253 25.235 ( 7.700 2.969 -0.075) 8.253 25.395 ( 5.956 -3.657 0.560) 7.011 25.395 ( 5.956 3.657 0.560) 7.011 26.307 ( 4.833 -1.824 -1.151) 5.293 26.307 ( 4.833 1.824 -1.151) 5.293 26.433 ( 8.916 -2.062 2.217) 9.416 26.433 ( 8.916 2.062 2.217) 9.416 27.200 ( -0.014 -7.649 1.092) 7.726 27.200 ( -0.014 7.649 1.092) 7.726 27.728 ( -1.833 -7.611 -2.060) 8.095 27.728 ( -1.833 7.611 -2.060) 8.095 28.177 ( -1.168 -3.444 2.286) 4.296 28.177 ( -1.168 3.444 2.286) 4.296 28.545 ( 1.460 -3.789 -0.833) 4.146 28.545 ( 1.460 3.789 -0.833) 4.146 28.930 ( -3.863 -0.567 -0.308) 3.916 28.930 ( -3.863 0.567 -0.308) 3.916 29.513 ( -3.865 -10.248 -1.832) 11.104 29.513 ( -3.865 10.248 -1.832) 11.104 31.232 ( -1.053 -0.833 0.686) 1.508 31.232 ( -1.053 0.833 0.686) 1.508 32.295 ( -13.018 -12.378 -0.503) 17.970 32.295 ( -13.018 12.378 -0.503) 17.970 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.327 -9.500 -3.489) 10.126 1.539 ( 0.327 9.500 -3.489) 10.126 1.713 ( 20.855 -4.948 5.228) 22.062 1.713 ( 20.855 4.948 5.228) 22.062 1.844 ( 10.630 -13.521 0.566) 17.208 1.844 ( 10.630 13.521 0.566) 17.208 2.235 ( 1.086 -8.542 4.516) 9.723 2.235 ( 1.086 8.542 4.516) 9.723 2.454 ( 7.062 -1.270 3.375) 7.929 2.454 ( 7.062 1.270 3.375) 7.929 2.713 ( -3.367 -5.754 0.500) 6.686 2.713 ( -3.367 5.754 0.500) 6.686 3.026 ( -3.198 -7.508 -10.031) 12.931 3.026 ( -3.198 7.508 -10.031) 12.931 3.137 ( -3.963 -5.361 -2.556) 7.140 3.137 ( -3.963 5.361 -2.556) 7.140 3.271 ( -3.474 -0.967 1.929) 4.089 3.271 ( -3.474 0.967 1.929) 4.089 3.623 ( 1.203 -6.510 3.090) 7.306 3.623 ( 1.203 6.510 3.090) 7.306 3.844 ( -1.638 -2.336 0.102) 2.855 3.844 ( -1.638 2.336 0.102) 2.855 3.951 ( 1.294 -1.782 1.416) 2.618 3.951 ( 1.294 1.782 1.416) 2.618 4.288 ( 7.504 -3.033 0.958) 8.150 4.288 ( 7.504 3.033 0.958) 8.150 4.488 ( 11.660 -2.590 -2.941) 12.301 4.488 ( 11.660 2.590 -2.941) 12.301 4.603 ( 7.473 -2.584 -5.202) 9.465 4.603 ( 7.473 2.584 -5.202) 9.465 4.661 ( 3.315 -5.280 7.341) 9.631 4.661 ( 3.315 5.280 7.341) 9.631 4.918 ( 11.410 -4.461 -5.935) 13.613 4.918 ( 11.410 4.461 -5.935) 13.613 5.336 ( 10.674 -3.409 -0.344) 11.210 5.336 ( 10.674 3.409 -0.344) 11.210 5.540 ( 5.703 -1.773 -1.813) 6.242 5.540 ( 5.703 1.773 -1.813) 6.242 5.776 ( 5.881 -1.756 3.663) 7.147 5.776 ( 5.881 1.756 3.663) 7.147 5.934 ( 2.946 -2.842 1.097) 4.238 5.934 ( 2.946 2.842 1.097) 4.238 6.162 ( 11.688 -3.405 -0.628) 12.190 6.162 ( 11.688 3.405 -0.628) 12.190 6.550 ( 6.661 -5.447 0.995) 8.661 6.550 ( 6.661 5.447 0.995) 8.661 6.788 ( 7.270 -3.254 3.310) 8.626 6.788 ( 7.270 3.254 3.310) 8.626 7.101 ( 7.382 -3.259 0.208) 8.072 7.101 ( 7.382 3.259 0.208) 8.072 7.300 ( 11.512 -4.907 -3.668) 13.041 7.300 ( 11.512 4.907 -3.668) 13.041 7.432 ( 1.992 -5.616 -0.467) 5.977 7.432 ( 1.992 5.616 -0.467) 5.977 7.678 ( -1.190 -4.280 -0.369) 4.457 7.678 ( -1.190 4.280 -0.369) 4.457 8.315 ( -6.582 -5.809 0.550) 8.795 8.315 ( -6.582 5.809 0.550) 8.795 8.458 ( -8.196 -14.597 2.411) 16.913 8.458 ( -8.196 14.597 2.411) 16.913 8.719 ( 1.403 -6.347 -5.057) 8.235 8.719 ( 1.403 6.347 -5.057) 8.235 9.049 ( -7.666 -9.574 -2.049) 12.434 9.049 ( -7.666 9.574 -2.049) 12.434 9.263 ( -1.995 -5.566 4.641) 7.516 9.263 ( -1.995 5.566 4.641) 7.516 9.625 ( -0.528 -5.523 4.551) 7.176 9.625 ( -0.528 5.523 4.551) 7.176 9.794 ( 0.990 -1.881 -3.231) 3.867 9.794 ( 0.990 1.881 -3.231) 3.867 10.228 ( -10.855 -4.244 0.345) 11.660 10.228 ( -10.855 4.244 0.345) 11.660 11.311 ( 5.635 -7.633 1.386) 9.589 11.311 ( 5.635 7.633 1.386) 9.589 11.590 ( 3.172 -8.702 -1.220) 9.342 11.590 ( 3.172 8.702 -1.220) 9.342 12.611 ( -10.007 -6.434 3.440) 12.384 12.611 ( -10.007 6.434 3.440) 12.384 12.811 ( -3.928 -5.829 -2.465) 7.448 12.811 ( -3.928 5.829 -2.465) 7.448 13.124 ( 1.882 -3.578 -1.389) 4.275 13.124 ( 1.882 3.578 -1.389) 4.275 13.479 ( 2.223 -0.616 -0.451) 2.351 13.479 ( 2.223 0.616 -0.451) 2.351 13.760 ( 5.572 -6.171 0.653) 8.340 13.760 ( 5.572 6.171 0.653) 8.340 14.067 ( 1.237 -9.128 -1.973) 9.420 14.067 ( 1.237 9.128 -1.973) 9.420 14.495 ( -1.122 -1.941 2.500) 3.358 14.495 ( -1.122 1.941 2.500) 3.358 14.644 ( 5.038 -4.451 -3.308) 7.492 14.644 ( 5.038 4.451 -3.308) 7.492 15.055 ( 2.656 -5.347 2.013) 6.301 15.055 ( 2.656 5.347 2.013) 6.301 15.495 ( -4.802 -7.279 -1.585) 8.863 15.495 ( -4.802 7.279 -1.585) 8.863 15.916 ( -8.054 -6.676 -1.252) 10.536 15.916 ( -8.054 6.676 -1.252) 10.536 16.182 ( -8.023 -2.434 1.665) 8.548 16.182 ( -8.023 2.434 1.665) 8.548 21.203 ( -1.632 -0.811 0.375) 1.860 21.203 ( -1.632 0.811 0.375) 1.860 21.399 ( -3.502 -0.725 0.045) 3.576 21.399 ( -3.502 0.725 0.045) 3.576 24.712 ( -1.089 -1.604 0.866) 2.124 24.712 ( -1.089 1.604 0.866) 2.124 24.745 ( 1.152 -1.870 -0.723) 2.313 24.745 ( 1.152 1.870 -0.723) 2.313 25.377 ( 7.013 -2.938 -0.583) 7.626 25.377 ( 7.013 2.938 -0.583) 7.626 25.570 ( 11.948 -4.851 0.343) 12.900 25.570 ( 11.948 4.851 0.343) 12.900 26.416 ( 7.367 -2.506 -1.174) 7.870 26.416 ( 7.367 2.506 -1.174) 7.870 26.645 ( 10.983 -5.133 1.988) 12.285 26.645 ( 10.983 5.133 1.988) 12.285 27.209 ( -0.599 -7.196 2.382) 7.603 27.209 ( -0.599 7.196 2.382) 7.603 27.665 ( -2.750 -5.601 -2.028) 6.561 27.665 ( -2.750 5.601 -2.028) 6.561 28.180 ( -0.618 -0.934 3.043) 3.243 28.180 ( -0.618 0.934 3.043) 3.243 28.554 ( 1.333 -5.009 -4.862) 7.107 28.554 ( 1.333 5.009 -4.862) 7.107 28.859 ( -3.861 -1.006 2.842) 4.899 28.859 ( -3.861 1.006 2.842) 4.899 29.401 ( -5.813 -8.942 -2.814) 11.031 29.401 ( -5.813 8.942 -2.814) 11.031 31.216 ( -1.233 -0.615 0.922) 1.658 31.216 ( -1.233 0.615 0.922) 1.658 32.003 ( -17.070 -6.614 0.160) 18.308 32.003 ( -17.070 6.614 0.160) 18.308 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -2.571 -7.379 -4.480) 9.007 1.483 ( -2.571 7.379 -4.480) 9.007 1.979 ( 5.535 -2.644 5.361) 8.146 1.979 ( 5.535 2.644 5.361) 8.146 2.093 ( 9.280 -6.447 1.766) 11.437 2.093 ( 9.280 6.447 1.766) 11.437 2.318 ( 9.208 -4.587 1.605) 10.412 2.318 ( 9.208 4.587 1.605) 10.412 2.519 ( 1.057 -0.637 -2.522) 2.808 2.519 ( 1.057 0.637 -2.522) 2.808 2.712 ( 0.120 -3.117 -0.321) 3.136 2.712 ( 0.120 3.117 -0.321) 3.136 2.898 ( -6.663 -6.291 -0.121) 9.165 2.898 ( -6.663 6.291 -0.121) 9.165 3.089 ( 3.110 -7.295 -4.571) 9.153 3.089 ( 3.110 7.295 -4.572) 9.154 3.218 ( -4.911 -0.918 4.485) 6.714 3.218 ( -4.911 0.918 4.485) 6.714 3.528 ( -5.587 -6.045 -5.067) 9.666 3.528 ( -5.587 6.045 -5.067) 9.666 3.872 ( 0.462 -2.419 4.542) 5.167 3.872 ( 0.462 2.419 4.542) 5.167 4.045 ( 4.387 -0.664 3.237) 5.492 4.045 ( 4.387 0.664 3.237) 5.492 4.354 ( 0.666 -6.819 -3.270) 7.592 4.354 ( 0.666 6.819 -3.270) 7.592 4.647 ( 6.710 -3.891 -3.011) 8.320 4.647 ( 6.710 3.891 -3.011) 8.320 4.683 ( 5.251 -5.858 -1.136) 7.949 4.683 ( 5.251 5.858 -1.136) 7.949 4.778 ( 4.267 -7.315 2.208) 8.752 4.778 ( 4.267 7.315 2.208) 8.752 5.121 ( 11.937 -7.704 -1.942) 14.339 5.121 ( 11.937 7.704 -1.942) 14.339 5.496 ( 5.718 -5.081 -0.289) 7.655 5.496 ( 5.718 5.081 -0.289) 7.655 5.633 ( 4.924 -6.971 1.210) 8.620 5.633 ( 4.924 6.971 1.210) 8.620 5.901 ( 8.759 -3.472 -0.850) 9.460 5.901 ( 8.759 3.472 -0.850) 9.460 6.066 ( 7.000 -2.531 2.488) 7.848 6.066 ( 7.000 2.531 2.488) 7.848 6.291 ( 4.427 -4.107 -1.698) 6.273 6.291 ( 4.427 4.107 -1.698) 6.273 6.695 ( 8.987 -2.248 0.833) 9.301 6.695 ( 8.987 2.248 0.833) 9.301 6.981 ( 6.850 -5.350 0.515) 8.707 6.981 ( 6.850 5.350 0.515) 8.707 7.229 ( 10.767 -6.205 -2.053) 12.596 7.229 ( 10.767 6.205 -2.053) 12.596 7.448 ( 6.446 -5.228 0.020) 8.299 7.448 ( 6.446 5.228 0.020) 8.299 7.527 ( 6.103 -3.880 0.911) 7.289 7.527 ( 6.103 3.880 0.911) 7.289 7.703 ( 4.315 -1.450 0.125) 4.554 7.703 ( 4.315 1.450 0.125) 4.554 8.183 ( -6.927 -4.191 -1.144) 8.177 8.183 ( -6.927 4.191 -1.144) 8.177 8.363 ( -4.986 -15.596 3.871) 16.825 8.363 ( -4.986 15.596 3.871) 16.825 8.723 ( 1.815 -6.631 -2.736) 7.399 8.723 ( 1.815 6.631 -2.736) 7.399 8.889 ( -7.546 -9.002 -1.574) 11.851 8.889 ( -7.546 9.002 -1.574) 11.851 9.246 ( -2.714 -5.667 3.043) 6.982 9.246 ( -2.714 5.667 3.043) 6.982 9.548 ( -9.475 -4.930 1.833) 10.837 9.548 ( -9.475 4.930 1.833) 10.837 9.820 ( 2.296 -3.197 -1.730) 4.300 9.820 ( 2.296 3.197 -1.730) 4.300 10.076 ( -4.740 -1.149 0.034) 4.877 10.076 ( -4.740 1.149 0.034) 4.877 11.401 ( 2.396 -9.324 1.845) 9.802 11.401 ( 2.396 9.324 1.845) 9.802 11.624 ( 2.120 -8.362 -2.219) 8.908 11.624 ( 2.120 8.362 -2.219) 8.908 12.468 ( -6.677 -5.051 2.276) 8.676 12.468 ( -6.677 5.051 2.276) 8.676 12.774 ( 0.210 -9.802 -0.950) 9.850 12.774 ( 0.210 9.802 -0.950) 9.850 13.153 ( 2.106 -3.392 -0.320) 4.005 13.153 ( 2.106 3.392 -0.320) 4.005 13.484 ( -1.738 -0.606 -0.216) 1.853 13.484 ( -1.738 0.606 -0.216) 1.853 13.865 ( 5.282 -5.725 0.346) 7.797 13.865 ( 5.282 5.725 0.346) 7.797 14.082 ( 2.371 -10.253 -2.654) 10.853 14.082 ( 2.371 10.253 -2.654) 10.853 14.504 ( 0.999 -2.503 1.226) 2.961 14.504 ( 0.999 2.503 1.226) 2.961 14.717 ( 4.572 -2.544 -1.951) 5.584 14.717 ( 4.572 2.544 -1.951) 5.584 15.127 ( 3.252 -3.246 2.071) 5.040 15.127 ( 3.252 3.246 2.071) 5.040 15.404 ( -3.759 -4.576 -0.776) 5.972 15.404 ( -3.759 4.576 -0.776) 5.972 15.759 ( -8.344 -4.711 0.625) 9.603 15.759 ( -8.344 4.711 0.625) 9.603 16.015 ( -10.413 -1.862 -0.152) 10.579 16.015 ( -10.413 1.862 -0.152) 10.579 21.176 ( -1.496 -0.780 0.462) 1.749 21.176 ( -1.496 0.780 0.462) 1.749 21.339 ( -2.869 -1.641 -0.187) 3.311 21.339 ( -2.869 1.641 -0.187) 3.311 24.698 ( -0.929 -1.472 0.908) 1.963 24.698 ( -0.929 1.472 0.908) 1.963 24.754 ( 0.477 -2.043 -0.971) 2.312 24.754 ( 0.477 2.043 -0.971) 2.312 25.486 ( 5.444 -2.970 -0.721) 6.244 25.486 ( 5.444 2.970 -0.721) 6.244 25.791 ( 10.869 -4.125 -0.088) 11.626 25.791 ( 10.869 4.125 -0.088) 11.626 26.540 ( 6.374 -2.874 -0.722) 7.029 26.540 ( 6.374 2.874 -0.722) 7.029 26.826 ( 7.476 -6.059 -0.210) 9.625 26.826 ( 7.476 6.059 -0.210) 9.625 27.206 ( -2.133 -6.277 3.172) 7.349 27.206 ( -2.133 6.277 3.172) 7.349 27.620 ( -0.902 -4.808 0.259) 4.899 27.620 ( -0.902 4.808 0.259) 4.899 28.187 ( -0.616 -3.667 -0.006) 3.719 28.187 ( -0.616 3.667 -0.006) 3.719 28.530 ( 1.267 -7.876 -5.129) 9.483 28.530 ( 1.267 7.876 -5.129) 9.483 28.845 ( -1.298 -3.056 4.906) 5.924 28.845 ( -1.298 3.056 4.906) 5.924 29.274 ( -5.359 -8.572 -2.630) 10.446 29.274 ( -5.359 8.572 -2.630) 10.446 31.208 ( -0.157 -0.273 0.856) 0.912 31.208 ( -0.157 0.273 0.856) 0.912 31.706 ( -14.845 -3.710 0.395) 15.306 31.706 ( -14.845 3.710 0.395) 15.306 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -2.798 -4.961 -5.163) 7.687 1.390 ( -2.798 4.961 -5.163) 7.688 2.064 ( 0.632 -6.888 5.626) 8.916 2.064 ( 0.632 6.888 5.626) 8.916 2.191 ( 2.766 -4.114 -0.240) 4.963 2.191 ( 2.766 4.114 -0.239) 4.963 2.472 ( -2.624 -0.246 -5.224) 5.852 2.472 ( -2.624 0.246 -5.224) 5.852 2.558 ( 12.710 -7.043 -1.777) 14.640 2.558 ( 12.710 7.043 -1.777) 14.640 2.672 ( -3.437 -3.909 0.923) 5.287 2.672 ( -3.437 3.909 0.923) 5.287 2.860 ( 2.396 -2.406 3.144) 4.628 2.860 ( 2.396 2.406 3.144) 4.628 3.037 ( -5.584 -4.485 -5.769) 9.197 3.037 ( -5.584 4.485 -5.769) 9.197 3.182 ( -3.732 -4.896 4.817) 7.817 3.182 ( -3.732 4.896 4.817) 7.817 3.522 ( 5.803 -5.974 4.164) 9.311 3.522 ( 5.803 5.974 4.164) 9.311 3.867 ( -2.529 -2.753 -0.307) 3.751 3.867 ( -2.529 2.753 -0.307) 3.751 4.093 ( -1.327 -6.592 -0.848) 6.778 4.093 ( -1.327 6.592 -0.848) 6.778 4.317 ( -0.482 -9.585 -2.349) 9.880 4.317 ( -0.482 9.585 -2.349) 9.880 4.664 ( -0.635 -4.114 -2.004) 4.620 4.664 ( -0.635 4.114 -2.004) 4.620 4.794 ( 4.671 -6.315 2.253) 8.172 4.794 ( 4.671 6.315 2.253) 8.172 4.862 ( 4.730 -7.207 -1.549) 8.758 4.862 ( 4.730 7.207 -1.549) 8.758 5.262 ( 3.863 -12.040 -1.236) 12.705 5.262 ( 3.863 12.040 -1.236) 12.705 5.534 ( -0.108 -5.315 1.566) 5.542 5.534 ( -0.108 5.315 1.566) 5.542 5.771 ( 7.416 -11.570 0.604) 13.756 5.771 ( 7.416 11.570 0.604) 13.756 6.057 ( 6.599 -3.397 -0.268) 7.426 6.057 ( 6.599 3.397 -0.268) 7.426 6.167 ( 3.749 -2.900 -1.656) 5.021 6.167 ( 3.749 2.900 -1.656) 5.021 6.339 ( 1.920 -4.347 1.381) 4.949 6.339 ( 1.920 4.347 1.381) 4.949 6.835 ( 3.072 -3.466 -0.533) 4.662 6.835 ( 3.072 3.466 -0.533) 4.662 7.092 ( 8.156 -4.338 0.964) 9.288 7.092 ( 8.156 4.338 0.964) 9.288 7.405 ( 6.543 -8.678 -1.204) 10.935 7.405 ( 6.543 8.678 -1.204) 10.935 7.536 ( 1.857 -3.025 0.300) 3.562 7.536 ( 1.857 3.025 0.300) 3.562 7.644 ( 7.423 -6.068 0.173) 9.589 7.644 ( 7.423 6.068 0.173) 9.589 7.814 ( 5.424 -6.051 0.659) 8.153 7.814 ( 5.424 6.051 0.659) 8.153 8.057 ( -5.291 -8.140 -1.334) 9.800 8.057 ( -5.291 8.140 -1.334) 9.800 8.317 ( -3.213 -15.227 3.603) 15.974 8.317 ( -3.213 15.227 3.603) 15.974 8.724 ( -1.206 -3.876 -1.530) 4.338 8.724 ( -1.205 3.876 -1.530) 4.338 8.784 ( -1.272 -5.898 -0.688) 6.073 8.784 ( -1.272 5.898 -0.688) 6.073 9.224 ( -0.993 -5.074 0.842) 5.238 9.224 ( -0.993 5.074 0.842) 5.238 9.363 ( -9.810 -4.049 0.484) 10.624 9.363 ( -9.810 4.049 0.484) 10.624 9.821 ( -0.613 -3.159 -0.945) 3.354 9.821 ( -0.613 3.159 -0.945) 3.354 10.049 ( 0.420 -1.945 0.286) 2.010 10.049 ( 0.420 1.945 0.286) 2.010 11.426 ( -0.303 -8.950 0.757) 8.987 11.426 ( -0.303 8.950 0.757) 8.987 11.644 ( 1.537 -9.089 -1.357) 9.317 11.644 ( 1.537 9.089 -1.357) 9.317 12.403 ( -2.444 -5.354 1.679) 6.120 12.403 ( -2.444 5.354 1.679) 6.120 12.783 ( 1.006 -13.274 -0.587) 13.325 12.783 ( 1.006 13.274 -0.587) 13.325 13.203 ( 3.262 -2.532 0.491) 4.159 13.203 ( 3.262 2.532 0.491) 4.159 13.422 ( -4.225 -0.359 -0.310) 4.251 13.422 ( -4.225 0.359 -0.310) 4.251 13.940 ( 2.281 -4.576 0.193) 5.117 13.940 ( 2.281 4.576 0.193) 5.117 14.112 ( 2.335 -11.224 -1.611) 11.577 14.112 ( 2.335 11.224 -1.611) 11.577 14.558 ( 4.448 -1.328 -0.691) 4.693 14.558 ( 4.448 1.328 -0.691) 4.693 14.759 ( 0.258 -2.321 -0.086) 2.337 14.759 ( 0.258 2.321 -0.086) 2.337 15.197 ( 2.583 -2.914 1.613) 4.215 15.197 ( 2.583 2.914 1.613) 4.215 15.359 ( -0.577 -2.602 -0.451) 2.704 15.359 ( -0.577 2.602 -0.451) 2.704 15.639 ( -4.584 -2.329 1.449) 5.342 15.639 ( -4.584 2.329 1.449) 5.342 15.816 ( -9.957 -0.986 -1.252) 10.084 15.816 ( -9.957 0.986 -1.252) 10.084 21.157 ( -0.836 -0.532 0.316) 1.040 21.157 ( -0.836 0.532 0.316) 1.040 21.295 ( -1.646 -2.098 -0.226) 2.677 21.295 ( -1.646 2.098 -0.226) 2.677 24.693 ( -0.376 -2.327 0.756) 2.475 24.693 ( -0.376 2.327 0.756) 2.475 24.751 ( 0.021 -2.676 -0.821) 2.799 24.751 ( 0.021 2.676 -0.821) 2.799 25.563 ( 3.235 -3.875 -0.434) 5.066 25.563 ( 3.235 3.875 -0.434) 5.066 25.947 ( 5.937 -3.757 -0.179) 7.028 25.947 ( 5.937 3.757 -0.179) 7.028 26.626 ( 3.187 -2.780 -0.252) 4.237 26.626 ( 3.187 2.780 -0.252) 4.237 26.918 ( 3.432 -3.765 -1.459) 5.299 26.918 ( 3.432 3.765 -1.459) 5.299 27.184 ( -2.158 -5.255 2.370) 6.155 27.184 ( -2.158 5.255 2.370) 6.155 27.635 ( 0.951 -5.634 2.193) 6.120 27.635 ( 0.951 5.634 2.193) 6.120 28.146 ( -1.669 -7.153 -3.632) 8.194 28.146 ( -1.669 7.153 -3.632) 8.194 28.547 ( 2.387 -12.435 -0.511) 12.672 28.547 ( 2.387 12.435 -0.511) 12.672 28.863 ( -0.308 -4.531 2.814) 5.343 28.863 ( -0.308 4.531 2.814) 5.343 29.176 ( -3.270 -9.210 -1.600) 9.904 29.176 ( -3.270 9.210 -1.600) 9.904 31.230 ( 2.028 -0.272 0.693) 2.160 31.230 ( 2.028 0.272 0.693) 2.160 31.475 ( -10.195 -2.190 -0.003) 10.427 31.475 ( -10.195 2.190 -0.003) 10.427 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 -1.348 0.000) 1.348 1.339 ( 0.000 1.348 0.000) 1.348 2.097 ( 0.000 -4.933 0.000) 4.933 2.097 ( 0.000 4.933 0.000) 4.933 2.214 ( 0.000 -12.083 0.000) 12.083 2.214 ( 0.000 12.083 0.000) 12.083 2.408 ( 0.000 -2.210 0.000) 2.210 2.408 ( 0.000 2.210 0.000) 2.210 2.603 ( 0.000 -1.293 -0.000) 1.293 2.603 ( 0.000 1.293 0.000) 1.293 2.768 ( 0.000 -4.013 -0.000) 4.013 2.768 ( -0.000 4.013 0.000) 4.013 2.869 ( 0.000 -5.085 -0.000) 5.085 2.869 ( 0.000 5.085 0.000) 5.085 2.939 ( 0.000 -2.793 0.000) 2.793 2.939 ( 0.000 2.793 0.000) 2.793 3.161 ( 0.000 -1.640 0.000) 1.640 3.161 ( 0.000 1.640 0.000) 1.640 3.639 ( 0.000 -8.366 0.000) 8.366 3.639 ( 0.000 8.366 0.000) 8.366 3.828 ( 0.000 -5.123 0.000) 5.123 3.828 ( 0.000 5.123 0.000) 5.123 4.037 ( 0.000 -10.325 0.000) 10.325 4.037 ( 0.000 10.325 -0.000) 10.325 4.314 ( 0.000 -7.796 0.000) 7.796 4.314 ( 0.000 7.796 0.000) 7.796 4.646 ( 0.000 -3.547 0.000) 3.547 4.646 ( 0.000 3.547 0.000) 3.547 4.848 ( 0.000 -8.644 0.000) 8.644 4.848 ( 0.000 8.644 0.000) 8.644 4.910 ( 0.000 -4.403 -0.000) 4.403 4.910 ( 0.000 4.403 0.000) 4.403 5.278 ( 0.000 -14.995 0.000) 14.995 5.278 ( 0.000 14.995 0.000) 14.995 5.543 ( 0.000 -3.643 0.000) 3.643 5.543 ( 0.000 3.643 0.000) 3.643 5.847 ( 0.000 -13.425 0.000) 13.425 5.847 ( 0.000 13.425 0.000) 13.425 6.109 ( 0.000 -1.249 0.000) 1.249 6.109 ( 0.000 1.249 -0.000) 1.249 6.201 ( 0.000 -3.859 0.000) 3.859 6.201 ( 0.000 3.859 0.000) 3.859 6.371 ( 0.000 -3.168 0.000) 3.168 6.371 ( 0.000 3.168 0.000) 3.168 6.841 ( 0.000 -4.186 0.000) 4.186 6.841 ( 0.000 4.186 0.000) 4.186 7.209 ( 0.000 -3.620 0.000) 3.620 7.209 ( 0.000 3.620 0.000) 3.620 7.441 ( 0.000 -6.130 0.000) 6.130 7.441 ( 0.000 6.130 0.000) 6.130 7.558 ( 0.000 -6.274 0.000) 6.274 7.558 ( 0.000 6.274 0.000) 6.274 7.731 ( 0.000 -2.940 0.000) 2.940 7.731 ( 0.000 2.940 0.000) 2.940 7.864 ( -0.000 -8.767 -0.000) 8.767 7.864 ( 0.000 8.767 0.000) 8.767 7.998 ( 0.000 -6.230 0.000) 6.230 7.998 ( 0.000 6.230 0.000) 6.230 8.300 ( 0.000 -13.362 -0.000) 13.362 8.300 ( -0.000 13.362 0.000) 13.362 8.694 ( 0.000 -1.080 -0.000) 1.080 8.694 ( 0.000 1.080 0.000) 1.080 8.789 ( 0.000 -5.561 0.000) 5.561 8.789 ( 0.000 5.561 0.000) 5.561 9.224 ( -0.000 -6.600 0.000) 6.600 9.224 ( 0.000 6.600 0.000) 6.600 9.257 ( -0.000 -5.166 0.000) 5.166 9.257 ( 0.000 5.166 0.000) 5.166 9.808 ( 0.000 -2.430 0.000) 2.430 9.808 ( 0.000 2.430 0.000) 2.430 10.058 ( 0.000 -1.992 0.000) 1.992 10.058 ( 0.000 1.992 0.000) 1.992 11.422 ( 0.000 -8.395 0.000) 8.395 11.422 ( 0.000 8.395 0.000) 8.395 11.654 ( 0.000 -10.004 -0.000) 10.004 11.654 ( 0.000 10.004 0.000) 10.004 12.389 ( 0.000 -5.828 0.000) 5.828 12.389 ( 0.000 5.828 0.000) 5.828 12.791 ( 0.000 -14.858 -0.000) 14.858 12.791 ( 0.000 14.858 0.000) 14.858 13.253 ( 0.000 -2.543 0.000) 2.543 13.253 ( -0.000 2.543 0.000) 2.543 13.363 ( 0.000 -0.172 0.000) 0.172 13.363 ( 0.000 0.172 0.000) 0.172 13.959 ( 0.000 -3.347 0.000) 3.347 13.959 ( 0.000 3.347 -0.000) 3.347 14.130 ( 0.000 -11.253 0.000) 11.253 14.130 ( 0.000 11.253 0.000) 11.253 14.615 ( 0.000 -5.941 0.000) 5.941 14.615 ( 0.000 5.941 0.000) 5.941 14.744 ( 0.000 -8.792 0.000) 8.792 14.744 ( -0.000 8.792 0.000) 8.792 15.233 ( 0.000 -2.438 -0.000) 2.438 15.233 ( -0.000 2.439 0.000) 2.439 15.354 ( 0.000 -2.599 0.000) 2.599 15.354 ( 0.000 2.599 0.000) 2.599 15.635 ( 0.000 -0.620 0.000) 0.620 15.635 ( -0.000 0.620 -0.000) 0.620 15.675 ( 0.000 -2.522 0.000) 2.522 15.675 ( -0.000 2.522 0.000) 2.522 21.151 ( 0.000 -0.393 0.000) 0.393 21.151 ( 0.000 0.393 0.000) 0.393 21.279 ( 0.000 -2.191 0.000) 2.191 21.279 ( 0.000 2.191 0.000) 2.191 24.693 ( 0.000 -2.816 0.000) 2.816 24.693 ( 0.000 2.816 0.000) 2.816 24.747 ( 0.000 -3.046 0.000) 3.046 24.747 ( 0.000 3.046 0.000) 3.046 25.592 ( 0.000 -4.361 0.000) 4.361 25.592 ( 0.000 4.361 0.000) 4.361 26.001 ( 0.000 -3.677 0.000) 3.677 26.001 ( 0.000 3.677 0.000) 3.677 26.653 ( 0.000 -2.384 0.000) 2.384 26.653 ( 0.000 2.384 0.000) 2.384 26.942 ( 0.000 -0.358 0.000) 0.358 26.942 ( 0.000 0.358 -0.000) 0.358 27.173 ( 0.000 -4.217 0.000) 4.217 27.173 ( 0.000 4.217 -0.000) 4.217 27.658 ( 0.000 -4.728 0.000) 4.728 27.658 ( 0.000 4.728 0.000) 4.728 28.110 ( 0.000 -7.467 0.000) 7.467 28.110 ( 0.000 7.467 0.000) 7.467 28.574 ( 0.000 -14.239 0.000) 14.239 28.574 ( 0.000 14.239 0.000) 14.239 28.871 ( 0.000 -4.930 0.000) 4.930 28.871 ( 0.000 4.930 0.000) 4.930 29.139 ( 0.000 -9.825 0.000) 9.825 29.139 ( 0.000 9.825 0.000) 9.825 31.277 ( 0.000 -0.682 0.000) 0.682 31.277 ( 0.000 0.682 0.000) 0.682 31.355 ( -0.000 -1.231 0.000) 1.231 31.355 ( 0.000 1.231 0.000) 1.231 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -4.517 0.000 30.594) 30.926 0.621 ( -8.595 0.000 31.799) 32.940 1.085 ( 8.586 0.000 55.037) 55.703 1.639 ( 5.635 0.000 -17.405) 18.294 1.700 ( 4.826 0.000 -26.382) 26.820 2.339 ( 7.494 0.000 -4.802) 8.901 2.384 ( -10.457 0.000 -7.714) 12.994 2.503 ( -1.334 0.000 3.586) 3.826 2.535 ( -3.112 0.000 10.841) 11.279 2.566 ( -1.559 0.000 -0.970) 1.836 2.793 ( -4.930 0.000 6.925) 8.500 2.874 ( -7.371 0.000 -21.340) 22.577 2.949 ( -3.035 0.000 -4.642) 5.546 3.064 ( 6.000 0.000 13.574) 14.840 3.069 ( 3.108 0.000 -1.964) 3.676 3.240 ( -3.018 0.000 -2.680) 4.036 3.281 ( 4.374 0.000 -3.699) 5.728 3.378 ( -2.268 0.000 -5.180) 5.655 3.408 ( -0.141 0.000 13.113) 13.114 3.591 ( -7.198 0.000 2.113) 7.502 3.600 ( 0.415 0.000 -0.054) 0.419 3.741 ( 1.560 0.000 5.002) 5.240 3.782 ( 0.518 0.000 1.443) 1.533 3.910 ( 2.894 0.000 -4.324) 5.203 4.075 ( 0.078 0.000 6.092) 6.092 4.121 ( -3.463 0.000 -1.951) 3.975 4.199 ( 1.266 0.000 -0.829) 1.513 4.248 ( 7.626 0.000 2.393) 7.992 4.375 ( 1.072 0.000 0.663) 1.261 4.483 ( -0.282 0.000 -4.511) 4.519 4.525 ( -2.694 0.000 -5.157) 5.818 4.544 ( 0.197 0.000 -7.667) 7.669 4.676 ( -4.601 0.000 -1.943) 4.994 4.844 ( 0.867 0.000 -7.090) 7.143 4.933 ( -3.104 0.000 5.798) 6.576 5.106 ( -2.959 0.000 -3.859) 4.863 5.260 ( 2.328 0.000 1.672) 2.866 5.388 ( -3.521 0.000 -3.921) 5.270 5.586 ( 2.128 0.000 7.458) 7.756 5.637 ( -13.932 0.000 2.753) 14.202 5.767 ( 3.154 0.000 -3.232) 4.516 5.772 ( 1.720 0.000 -0.873) 1.929 6.023 ( 7.148 0.000 12.688) 14.563 6.116 ( -2.378 0.000 -0.056) 2.379 6.245 ( -15.227 0.000 8.902) 17.638 6.280 ( -0.618 0.000 -4.850) 4.889 6.473 ( 5.393 0.000 0.605) 5.427 6.552 ( -12.549 0.000 -6.572) 14.166 6.913 ( 5.767 0.000 6.215) 8.478 6.966 ( -0.359 0.000 4.388) 4.403 7.147 ( -5.409 0.000 -7.139) 8.957 7.182 ( -2.826 0.000 -5.170) 5.892 7.420 ( 6.525 0.000 5.049) 8.250 7.555 ( -6.684 0.000 -1.285) 6.806 7.953 ( 51.996 0.000 -3.673) 52.125 8.063 ( -6.491 0.000 -11.369) 13.091 8.189 ( 8.193 0.000 2.288) 8.506 8.237 ( -5.882 0.000 -0.016) 5.882 8.469 ( 3.351 0.000 -2.537) 4.203 8.584 ( -3.495 0.000 -5.830) 6.797 8.708 ( -2.533 0.000 5.268) 5.845 8.903 ( -7.621 0.000 -6.270) 9.869 9.107 ( 11.866 0.000 5.355) 13.018 9.246 ( -6.508 0.000 1.281) 6.633 9.273 ( 0.966 0.000 6.944) 7.011 9.365 ( 2.682 0.000 6.181) 6.737 9.502 ( -3.714 0.000 -3.340) 4.995 9.614 ( -1.675 0.000 -2.959) 3.400 9.773 ( -6.087 0.000 14.903) 16.098 10.234 ( -8.440 0.000 6.072) 10.397 10.439 ( 3.466 0.000 -10.301) 10.869 10.538 ( 0.512 0.000 -5.931) 5.953 10.895 ( 11.142 0.000 -0.047) 11.142 11.006 ( -5.522 0.000 -3.300) 6.433 11.432 ( 3.115 0.000 3.252) 4.503 11.583 ( -1.336 0.000 -3.116) 3.390 12.710 ( -6.455 0.000 2.253) 6.837 12.836 ( 2.731 0.000 -3.231) 4.231 13.143 ( 4.057 0.000 0.373) 4.074 13.148 ( -5.471 0.000 -0.493) 5.493 13.214 ( -1.672 0.000 0.785) 1.847 13.247 ( 1.445 0.000 -0.217) 1.461 13.487 ( -1.887 0.000 -0.374) 1.923 13.545 ( 21.441 0.000 -3.251) 21.686 13.624 ( -3.325 0.000 6.385) 7.199 13.776 ( 7.702 0.000 2.459) 8.085 13.881 ( 6.525 0.000 2.692) 7.058 14.076 ( 3.731 0.000 -2.977) 4.774 14.121 ( 1.694 0.000 1.109) 2.025 14.266 ( 1.732 0.000 -6.519) 6.745 14.610 ( -3.495 0.000 9.871) 10.472 15.029 ( -3.347 0.000 -9.622) 10.188 15.064 ( 7.077 0.000 2.962) 7.672 15.256 ( -38.204 0.000 -6.285) 38.717 15.456 ( -0.192 0.000 7.697) 7.700 15.828 ( -0.068 0.000 -9.406) 9.406 15.843 ( -1.601 0.000 8.648) 8.794 16.110 ( 0.782 0.000 -2.621) 2.735 16.451 ( 0.996 0.000 1.304) 1.640 16.491 ( 0.270 0.000 -0.327) 0.424 21.088 ( -1.113 0.000 2.396) 2.641 21.221 ( -2.454 0.000 -3.225) 4.053 21.271 ( 0.151 0.000 1.719) 1.726 21.345 ( -0.837 0.000 -1.237) 1.494 24.638 ( -1.068 0.000 0.252) 1.097 24.645 ( 1.706 0.000 0.021) 1.707 24.713 ( 9.448 0.000 0.574) 9.465 24.745 ( -0.461 0.000 -0.697) 0.836 25.144 ( 0.247 0.000 1.112) 1.139 25.203 ( -0.701 0.000 -1.396) 1.562 25.375 ( -5.378 0.000 1.537) 5.593 25.434 ( 31.787 0.000 -1.002) 31.802 26.230 ( 16.062 0.000 -0.893) 16.087 26.237 ( -4.091 0.000 -1.109) 4.239 26.355 ( 1.845 0.000 1.520) 2.390 26.371 ( 0.800 0.000 0.969) 1.257 27.223 ( -0.561 0.000 1.273) 1.391 27.308 ( -0.037 0.000 -2.775) 2.776 27.764 ( -17.823 0.000 0.143) 17.823 27.923 ( 3.245 0.000 -7.761) 8.412 27.999 ( -19.365 0.000 10.734) 22.141 28.275 ( -1.824 0.000 7.951) 8.158 28.443 ( 4.948 0.000 -4.532) 6.710 28.697 ( 2.727 0.000 -8.159) 8.602 28.993 ( -3.845 0.000 3.170) 4.983 29.120 ( 2.040 0.000 -3.103) 3.713 29.199 ( 3.277 0.000 1.456) 3.586 29.212 ( -2.465 0.000 1.097) 2.698 31.255 ( 0.161 0.000 4.721) 4.723 31.538 ( -0.765 0.000 -8.016) 8.053 32.162 ( 3.468 0.000 7.907) 8.634 32.433 ( -13.254 0.000 -4.368) 13.955 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.587 0.000 26.591) 26.832 0.926 ( 10.225 0.000 22.110) 24.360 1.635 ( 10.621 0.000 -17.626) 20.578 1.692 ( 12.725 0.000 -25.032) 28.081 1.804 ( 23.241 0.000 41.833) 47.856 2.203 ( -3.163 0.000 -0.407) 3.189 2.414 ( -0.144 0.000 3.387) 3.390 2.435 ( 3.264 0.000 -23.245) 23.473 2.580 ( 5.218 0.000 4.159) 6.673 2.649 ( 3.698 0.000 -10.959) 11.566 2.726 ( -1.003 0.000 -4.254) 4.371 2.754 ( 4.533 0.000 7.198) 8.506 2.971 ( 0.909 0.000 9.160) 9.205 3.135 ( 2.170 0.000 -0.969) 2.376 3.164 ( 0.699 0.000 -2.964) 3.045 3.237 ( 0.104 0.000 4.126) 4.127 3.350 ( 3.203 0.000 2.842) 4.282 3.399 ( -0.076 0.000 4.786) 4.786 3.406 ( 7.667 0.000 -1.902) 7.900 3.561 ( -2.519 0.000 -2.184) 3.334 3.759 ( -0.727 0.000 0.741) 1.038 3.760 ( -0.779 0.000 -10.168) 10.198 3.861 ( 11.081 0.000 1.933) 11.248 3.909 ( 1.597 0.000 -2.462) 2.934 4.058 ( -5.571 0.000 5.869) 8.092 4.156 ( -0.559 0.000 4.155) 4.192 4.216 ( 5.090 0.000 -3.044) 5.931 4.343 ( 5.635 0.000 -1.736) 5.896 4.405 ( 3.689 0.000 -2.283) 4.338 4.456 ( 3.435 0.000 -5.940) 6.862 4.457 ( 7.035 0.000 -7.680) 10.415 4.621 ( 7.691 0.000 4.613) 8.968 4.779 ( 1.901 0.000 -10.286) 10.460 4.820 ( 12.514 0.000 6.023) 13.888 4.901 ( -2.205 0.000 1.685) 2.775 5.078 ( -0.827 0.000 1.097) 1.373 5.394 ( 8.336 0.000 -2.422) 8.681 5.434 ( 12.430 0.000 2.011) 12.591 5.540 ( -1.383 0.000 5.892) 6.052 5.649 ( 0.116 0.000 3.993) 3.995 5.800 ( 2.072 0.000 -0.399) 2.110 5.876 ( 8.832 0.000 -0.746) 8.863 6.108 ( -2.179 0.000 4.770) 5.244 6.149 ( -2.849 0.000 0.153) 2.853 6.247 ( 2.650 0.000 -3.707) 4.557 6.350 ( 10.712 0.000 18.774) 21.615 6.415 ( 2.248 0.000 -3.391) 4.068 6.622 ( 8.612 0.000 2.607) 8.998 6.967 ( -2.290 0.000 3.447) 4.139 7.007 ( 4.208 0.000 0.512) 4.239 7.172 ( 5.517 0.000 -5.607) 7.866 7.226 ( 12.749 0.000 2.295) 12.954 7.333 ( -12.602 0.000 -7.992) 14.923 7.588 ( 6.282 0.000 5.150) 8.123 7.809 ( -6.115 0.000 -16.495) 17.592 8.126 ( -4.678 0.000 0.142) 4.680 8.127 ( -0.588 0.000 -2.221) 2.297 8.409 ( -10.034 0.000 -2.858) 10.434 8.523 ( 2.643 0.000 0.146) 2.647 8.545 ( 5.743 0.000 -3.977) 6.986 8.680 ( -4.702 0.000 5.574) 7.292 8.732 ( 1.559 0.000 -10.368) 10.484 9.113 ( -2.688 0.000 -3.621) 4.510 9.269 ( -6.016 0.000 7.452) 9.577 9.408 ( 11.341 0.000 6.055) 12.857 9.447 ( 0.461 0.000 -6.792) 6.808 9.595 ( 9.650 0.000 5.721) 11.219 9.600 ( 3.956 0.000 -3.460) 5.255 9.772 ( -6.383 0.000 15.282) 16.562 10.116 ( -10.961 0.000 9.851) 14.738 10.341 ( -13.266 0.000 -4.497) 14.008 10.354 ( -3.150 0.000 -10.518) 10.979 10.979 ( 2.960 0.000 -8.032) 8.560 11.081 ( 7.838 0.000 1.653) 8.010 11.558 ( 7.239 0.000 4.603) 8.578 11.597 ( 5.971 0.000 -6.301) 8.681 12.582 ( -9.513 0.000 4.419) 10.489 12.782 ( -7.459 0.000 -1.571) 7.622 12.966 ( -9.243 0.000 -5.442) 10.726 13.132 ( -2.804 0.000 2.054) 3.476 13.224 ( 2.022 0.000 0.517) 2.087 13.287 ( 2.261 0.000 1.140) 2.533 13.474 ( 0.856 0.000 -2.385) 2.534 13.607 ( -0.865 0.000 2.690) 2.826 13.670 ( -9.356 0.000 4.139) 10.231 13.673 ( 3.417 0.000 -4.262) 5.463 14.103 ( 3.964 0.000 -3.000) 4.971 14.115 ( 0.321 0.000 0.026) 0.322 14.300 ( 8.262 0.000 -7.821) 11.377 14.305 ( 13.535 0.000 -9.153) 16.340 14.634 ( -2.539 0.000 10.411) 10.716 14.634 ( -19.189 0.000 16.421) 25.256 15.011 ( 2.713 0.000 -11.829) 12.136 15.220 ( 3.861 0.000 9.395) 10.157 15.522 ( 0.086 0.000 7.751) 7.751 15.737 ( -2.023 0.000 -8.924) 9.150 15.849 ( -4.603 0.000 8.695) 9.838 16.048 ( -4.545 0.000 -5.451) 7.097 16.427 ( -4.783 0.000 2.344) 5.326 16.435 ( -5.285 0.000 -1.830) 5.593 21.084 ( -1.275 0.000 2.551) 2.852 21.161 ( -2.105 0.000 -0.022) 2.105 21.269 ( -2.071 0.000 2.125) 2.967 21.326 ( 0.077 0.000 -2.280) 2.281 24.606 ( -1.677 0.000 0.198) 1.689 24.689 ( 2.399 0.000 -0.076) 2.400 24.731 ( -3.192 0.000 -1.022) 3.351 24.745 ( 1.769 0.000 -2.267) 2.875 25.200 ( 2.910 0.000 -2.652) 3.937 25.204 ( 5.558 0.000 1.122) 5.670 25.394 ( 6.486 0.000 -1.805) 6.732 25.789 ( 10.145 0.000 -4.674) 11.170 26.197 ( 1.329 0.000 -1.938) 2.350 26.364 ( 3.488 0.000 -1.040) 3.640 26.439 ( 5.911 0.000 1.025) 5.999 26.756 ( 30.994 0.000 -24.545) 39.536 27.233 ( 0.343 0.000 1.018) 1.074 27.304 ( 3.091 0.000 -2.168) 3.776 27.449 ( -16.746 0.000 16.025) 23.179 27.902 ( 0.085 0.000 -5.811) 5.811 27.949 ( -2.119 0.000 7.732) 8.017 28.260 ( -5.841 0.000 7.839) 9.776 28.522 ( 5.475 0.000 -0.387) 5.489 28.664 ( 0.352 0.000 -8.766) 8.773 28.931 ( -5.349 0.000 4.866) 7.231 29.118 ( -0.860 0.000 -3.304) 3.414 29.186 ( 0.190 0.000 0.781) 0.804 29.279 ( 4.105 0.000 0.176) 4.108 31.288 ( -1.098 0.000 6.048) 6.147 31.438 ( -3.113 0.000 -7.557) 8.173 31.963 ( -27.111 0.000 11.682) 29.520 32.174 ( -9.042 0.000 6.713) 11.262 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 8.890 0.000 18.695) 20.701 1.202 ( 9.774 0.000 7.587) 12.373 1.695 ( 7.212 0.000 -19.555) 20.842 1.757 ( 12.958 0.000 -10.288) 16.546 2.161 ( 0.031 0.000 5.902) 5.902 2.366 ( 9.539 0.000 -24.934) 26.696 2.467 ( 1.740 0.000 5.417) 5.689 2.497 ( 12.340 0.000 23.301) 26.367 2.647 ( 1.205 0.000 1.686) 2.073 2.652 ( 0.582 0.000 -2.328) 2.399 2.826 ( 0.081 0.000 0.339) 0.348 2.851 ( 13.632 0.000 8.086) 15.850 3.066 ( 1.443 0.000 8.647) 8.766 3.114 ( 0.403 0.000 -4.814) 4.831 3.189 ( -9.125 0.000 6.771) 11.363 3.225 ( 1.461 0.000 1.815) 2.330 3.283 ( 0.247 0.000 -3.481) 3.490 3.392 ( -5.827 0.000 -14.434) 15.566 3.592 ( -3.615 0.000 -1.846) 4.059 3.605 ( -1.074 0.000 2.996) 3.183 3.628 ( 5.374 0.000 -0.378) 5.387 3.655 ( 0.470 0.000 -1.004) 1.109 3.851 ( -5.258 0.000 9.015) 10.436 3.893 ( -7.303 0.000 -2.890) 7.854 4.124 ( 4.482 0.000 -9.850) 10.821 4.172 ( 7.301 0.000 2.440) 7.698 4.375 ( 0.939 0.000 -7.192) 7.253 4.400 ( 15.830 0.000 0.618) 15.842 4.471 ( 3.620 0.000 -0.747) 3.697 4.503 ( 5.058 0.000 2.506) 5.644 4.720 ( 20.499 0.000 -4.461) 20.979 4.811 ( 8.561 0.000 -3.549) 9.268 4.835 ( 5.796 0.000 10.328) 11.843 4.883 ( 0.460 0.000 -3.700) 3.728 5.121 ( 13.624 0.000 5.250) 14.600 5.123 ( 7.389 0.000 -0.404) 7.400 5.527 ( 2.398 0.000 -1.063) 2.623 5.615 ( 14.770 0.000 -1.287) 14.826 5.660 ( -0.290 0.000 2.119) 2.139 5.756 ( 11.029 0.000 3.637) 11.613 5.865 ( 6.163 0.000 3.909) 7.298 6.032 ( 7.788 0.000 -1.153) 7.873 6.099 ( -2.397 0.000 1.860) 3.034 6.142 ( 6.426 0.000 0.095) 6.427 6.292 ( 3.496 0.000 1.015) 3.641 6.551 ( -0.933 0.000 4.692) 4.784 6.563 ( 12.844 0.000 -0.093) 12.844 6.849 ( 12.745 0.000 2.327) 12.956 6.937 ( -7.571 0.000 -4.798) 8.963 6.996 ( 2.986 0.000 4.323) 5.254 7.216 ( 1.561 0.000 -5.113) 5.346 7.345 ( 17.040 0.000 2.635) 17.243 7.477 ( 11.513 0.000 -0.362) 11.519 7.673 ( 5.004 0.000 -12.571) 13.531 7.708 ( 3.148 0.000 3.220) 4.503 8.058 ( -4.995 0.000 -2.461) 5.569 8.090 ( -0.140 0.000 1.481) 1.487 8.191 ( -9.128 0.000 -2.249) 9.401 8.508 ( -4.028 0.000 2.124) 4.554 8.549 ( -1.069 0.000 2.452) 2.675 8.631 ( -4.703 0.000 5.224) 7.029 8.751 ( 5.009 0.000 -9.693) 10.911 9.053 ( -0.695 0.000 -5.798) 5.839 9.167 ( -7.163 0.000 2.651) 7.638 9.401 ( 1.449 0.000 -10.005) 10.110 9.545 ( -4.612 0.000 11.160) 12.076 9.685 ( 5.428 0.000 -5.419) 7.670 9.753 ( 3.259 0.000 5.022) 5.987 9.802 ( 0.101 0.000 11.181) 11.182 9.954 ( -13.925 0.000 7.619) 15.873 10.080 ( -10.331 0.000 -2.857) 10.718 10.212 ( -3.993 0.000 -7.392) 8.402 10.943 ( 0.299 0.000 -8.367) 8.373 11.224 ( 4.470 0.000 6.220) 7.659 11.684 ( 8.785 0.000 -7.776) 11.732 11.725 ( 6.061 0.000 3.735) 7.120 12.445 ( -8.124 0.000 2.930) 8.636 12.560 ( -12.107 0.000 -1.884) 12.253 12.823 ( -2.385 0.000 -4.614) 5.193 13.101 ( -2.423 0.000 2.075) 3.190 13.290 ( 4.251 0.000 1.443) 4.489 13.324 ( 0.285 0.000 1.674) 1.698 13.460 ( -0.239 0.000 -3.093) 3.102 13.527 ( -7.092 0.000 -0.581) 7.116 13.653 ( 4.719 0.000 -0.632) 4.761 13.680 ( -0.278 0.000 -1.584) 1.608 14.106 ( -0.732 0.000 1.118) 1.336 14.149 ( 2.793 0.000 -0.132) 2.796 14.338 ( -1.958 0.000 2.036) 2.825 14.412 ( 7.764 0.000 -4.664) 9.057 14.601 ( 2.407 0.000 -0.539) 2.467 14.670 ( -0.767 0.000 7.713) 7.751 15.021 ( 6.570 0.000 -8.764) 10.953 15.327 ( -0.079 0.000 9.631) 9.631 15.561 ( -2.610 0.000 7.807) 8.232 15.630 ( -2.797 0.000 -6.904) 7.449 15.810 ( -5.869 0.000 7.443) 9.478 15.878 ( -7.218 0.000 -7.857) 10.669 16.281 ( -9.103 0.000 -2.739) 9.506 16.319 ( -8.626 0.000 2.258) 8.917 21.079 ( -1.137 0.000 2.087) 2.377 21.132 ( -1.253 0.000 -0.016) 1.253 21.233 ( -3.202 0.000 2.052) 3.803 21.307 ( -0.023 0.000 -2.846) 2.846 24.591 ( -0.621 0.000 0.689) 0.927 24.644 ( -3.497 0.000 -1.857) 3.960 24.733 ( 0.832 0.000 1.523) 1.735 24.765 ( 1.488 0.000 -1.737) 2.287 25.291 ( 8.463 0.000 -2.112) 8.722 25.350 ( 8.892 0.000 1.202) 8.973 25.536 ( 9.634 0.000 -1.631) 9.771 25.892 ( 4.387 0.000 -1.379) 4.598 26.256 ( 5.777 0.000 -0.400) 5.791 26.454 ( 6.613 0.000 -0.171) 6.615 26.574 ( 7.761 0.000 0.411) 7.772 26.962 ( 10.200 0.000 -11.765) 15.571 27.236 ( -0.550 0.000 -0.492) 0.738 27.276 ( -7.957 0.000 5.578) 9.717 27.437 ( 8.036 0.000 -5.041) 9.486 27.833 ( -3.827 0.000 -3.679) 5.308 27.978 ( -1.259 0.000 7.727) 7.829 28.203 ( -5.815 0.000 7.240) 9.286 28.585 ( -1.342 0.000 -8.523) 8.628 28.629 ( 4.484 0.000 3.279) 5.555 28.875 ( -5.101 0.000 5.456) 7.469 29.044 ( -3.819 0.000 -2.802) 4.737 29.230 ( 3.358 0.000 0.312) 3.373 29.348 ( 3.648 0.000 -0.566) 3.692 31.301 ( -2.503 0.000 6.012) 6.512 31.329 ( -3.012 0.000 -5.465) 6.240 31.649 ( -16.626 0.000 8.373) 18.616 31.950 ( -15.492 0.000 -1.618) 15.576 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.796 0.000 9.871) 11.984 1.467 ( 16.826 0.000 -2.456) 17.004 1.770 ( 13.228 0.000 -6.203) 14.610 1.877 ( 5.141 0.000 -3.510) 6.225 2.242 ( 3.506 0.000 7.249) 8.053 2.364 ( 5.411 0.000 -13.604) 14.640 2.462 ( -8.385 0.000 -3.427) 9.058 2.533 ( 0.177 0.000 5.881) 5.884 2.626 ( -0.454 0.000 -5.109) 5.129 2.805 ( 0.414 0.000 -3.128) 3.155 2.849 ( 2.770 0.000 12.220) 12.530 2.988 ( -10.781 0.000 4.572) 11.711 3.057 ( -3.769 0.000 -5.189) 6.413 3.111 ( -8.041 0.000 -10.229) 13.011 3.133 ( -3.573 0.000 7.148) 7.991 3.169 ( 2.241 0.000 3.328) 4.012 3.193 ( -8.835 0.000 -2.019) 9.063 3.383 ( 10.261 0.000 8.582) 13.377 3.457 ( -2.660 0.000 -1.306) 2.964 3.492 ( -3.958 0.000 2.178) 4.518 3.637 ( -7.368 0.000 -6.304) 9.697 3.740 ( 0.781 0.000 3.365) 3.455 3.795 ( 3.496 0.000 0.965) 3.627 3.923 ( 1.746 0.000 13.122) 13.237 4.170 ( 7.841 0.000 -8.604) 11.641 4.284 ( 4.007 0.000 -5.812) 7.059 4.311 ( -1.899 0.000 -1.358) 2.334 4.461 ( -2.196 0.000 -0.332) 2.221 4.660 ( 9.049 0.000 1.730) 9.213 4.789 ( 21.375 0.000 -0.581) 21.383 4.841 ( -1.020 0.000 -0.141) 1.030 4.842 ( 0.052 0.000 -5.838) 5.838 5.033 ( 14.850 0.000 -1.910) 14.972 5.120 ( 12.844 0.000 11.149) 17.008 5.288 ( -0.307 0.000 0.750) 0.810 5.306 ( 10.989 0.000 -2.840) 11.350 5.635 ( -1.936 0.000 -0.823) 2.104 5.667 ( 14.875 0.000 -2.734) 15.124 5.843 ( -0.892 0.000 5.634) 5.705 5.912 ( 15.992 0.000 -1.051) 16.027 6.046 ( 6.661 0.000 1.142) 6.758 6.093 ( 2.398 0.000 2.563) 3.510 6.129 ( 4.544 0.000 -2.187) 5.043 6.304 ( -6.126 0.000 2.937) 6.794 6.437 ( 20.839 0.000 2.387) 20.975 6.560 ( 8.137 0.000 -6.174) 10.214 6.811 ( 1.678 0.000 -3.442) 3.829 6.822 ( 13.792 0.000 0.840) 13.817 7.146 ( 8.269 0.000 5.895) 10.156 7.180 ( -0.727 0.000 0.978) 1.218 7.190 ( 14.506 0.000 2.832) 14.780 7.582 ( 2.314 0.000 -5.523) 5.988 7.631 ( 11.370 0.000 -2.585) 11.660 7.745 ( -1.122 0.000 0.041) 1.122 7.767 ( 7.937 0.000 -1.926) 8.168 7.925 ( -6.979 0.000 -0.330) 6.987 8.106 ( 1.812 0.000 -1.452) 2.322 8.134 ( 3.793 0.000 0.797) 3.876 8.459 ( -2.096 0.000 0.197) 2.105 8.532 ( -2.533 0.000 3.342) 4.193 8.601 ( -3.081 0.000 6.755) 7.425 8.762 ( 2.977 0.000 -5.674) 6.407 8.991 ( -1.524 0.000 -5.263) 5.479 9.070 ( -5.368 0.000 1.575) 5.594 9.351 ( 1.961 0.000 -11.373) 11.541 9.459 ( -11.292 0.000 7.650) 13.639 9.631 ( -5.975 0.000 -3.854) 7.110 9.734 ( -13.676 0.000 4.689) 14.458 9.806 ( -2.339 0.000 6.705) 7.102 9.902 ( 3.340 0.000 3.423) 4.783 9.979 ( -0.141 0.000 -0.058) 0.153 10.108 ( -2.904 0.000 -3.500) 4.548 10.888 ( 0.415 0.000 -6.331) 6.344 11.326 ( 2.374 0.000 2.681) 3.581 11.794 ( 7.896 0.000 -4.094) 8.894 11.825 ( 2.366 0.000 4.005) 4.651 12.329 ( -6.170 0.000 1.234) 6.292 12.358 ( -9.123 0.000 -0.454) 9.134 12.792 ( 0.686 0.000 -0.655) 0.948 13.065 ( -2.348 0.000 -0.223) 2.359 13.333 ( -0.293 0.000 1.831) 1.854 13.392 ( 4.427 0.000 2.934) 5.312 13.415 ( -3.215 0.000 -2.957) 4.368 13.418 ( -1.310 0.000 -3.684) 3.910 13.648 ( -2.341 0.000 -0.070) 2.342 13.743 ( 5.782 0.000 -3.278) 6.647 14.131 ( 1.782 0.000 3.655) 4.066 14.209 ( 2.751 0.000 2.249) 3.553 14.328 ( 0.278 0.000 -0.352) 0.448 14.486 ( 2.079 0.000 -0.407) 2.118 14.643 ( 3.846 0.000 -2.869) 4.798 14.724 ( 2.332 0.000 1.905) 3.011 15.098 ( 6.629 0.000 -4.512) 8.019 15.369 ( -1.822 0.000 7.008) 7.241 15.532 ( -6.984 0.000 7.607) 10.327 15.543 ( -1.142 0.000 -5.761) 5.873 15.709 ( -4.389 0.000 -6.743) 8.046 15.762 ( -4.000 0.000 5.043) 6.437 16.077 ( -10.012 0.000 -3.158) 10.499 16.150 ( -10.876 0.000 1.220) 10.944 21.073 ( -0.730 0.000 0.890) 1.151 21.112 ( -0.797 0.000 -0.149) 0.811 21.193 ( -2.890 0.000 2.677) 3.940 21.284 ( -0.083 0.000 -2.956) 2.957 24.580 ( -2.194 0.000 -0.894) 2.369 24.583 ( -0.733 0.000 0.261) 0.778 24.747 ( -0.328 0.000 1.133) 1.180 24.768 ( 0.224 0.000 -1.017) 1.042 25.436 ( 7.325 0.000 -0.566) 7.346 25.527 ( 8.640 0.000 1.031) 8.701 25.705 ( 8.900 0.000 0.071) 8.900 25.939 ( 2.027 0.000 -1.209) 2.360 26.387 ( 7.250 0.000 1.997) 7.520 26.587 ( 7.050 0.000 0.399) 7.061 26.714 ( 6.840 0.000 0.078) 6.840 27.023 ( 1.185 0.000 -0.068) 1.186 27.189 ( -1.937 0.000 -2.536) 3.191 27.205 ( -1.299 0.000 -2.544) 2.857 27.532 ( 7.017 0.000 -7.029) 9.932 27.714 ( -6.519 0.000 -1.404) 6.669 28.012 ( -1.661 0.000 7.851) 8.024 28.168 ( -3.575 0.000 6.198) 7.155 28.507 ( -0.743 0.000 -5.736) 5.784 28.720 ( 2.747 0.000 2.827) 3.942 28.822 ( -4.675 0.000 4.330) 6.372 28.949 ( -4.137 0.000 -2.756) 4.971 29.302 ( 3.815 0.000 0.515) 3.849 29.404 ( 3.005 0.000 -1.113) 3.204 31.257 ( -0.995 0.000 -3.173) 3.325 31.287 ( -3.277 0.000 4.687) 5.719 31.449 ( -10.684 0.000 4.590) 11.628 31.652 ( -12.232 0.000 -6.205) 13.716 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.955 0.000 3.666) 4.155 1.717 ( 13.466 0.000 -12.428) 18.325 1.957 ( 6.404 0.000 3.182) 7.152 2.074 ( 17.689 0.000 6.613) 18.884 2.295 ( -6.146 0.000 0.055) 6.147 2.350 ( 0.981 0.000 -6.663) 6.735 2.358 ( 1.434 0.000 6.202) 6.365 2.530 ( -4.461 0.000 4.922) 6.643 2.585 ( 2.542 0.000 -11.072) 11.360 2.778 ( -12.782 0.000 1.403) 12.858 2.803 ( -0.570 0.000 -8.342) 8.361 2.844 ( -10.213 0.000 3.204) 10.703 2.872 ( -8.499 0.000 5.390) 10.064 3.018 ( -2.230 0.000 0.645) 2.322 3.033 ( -0.460 0.000 -0.393) 0.605 3.053 ( -1.151 0.000 1.708) 2.060 3.193 ( -1.312 0.000 0.329) 1.352 3.457 ( -4.141 0.000 6.120) 7.390 3.461 ( 0.197 0.000 0.943) 0.964 3.526 ( -0.710 0.000 -0.816) 1.082 3.612 ( 2.058 0.000 11.359) 11.544 3.783 ( 2.039 0.000 -0.841) 2.206 3.850 ( 3.749 0.000 -4.647) 5.971 3.993 ( -2.999 0.000 3.111) 4.321 4.226 ( -1.000 0.000 -3.532) 3.670 4.267 ( 7.555 0.000 -6.797) 10.163 4.333 ( 2.486 0.000 -1.158) 2.743 4.422 ( -1.042 0.000 1.369) 1.720 4.784 ( -5.736 0.000 3.402) 6.669 4.808 ( 2.645 0.000 0.419) 2.678 4.849 ( 7.806 0.000 -4.373) 8.948 5.092 ( 11.809 0.000 -5.498) 13.026 5.188 ( -5.734 0.000 1.195) 5.857 5.253 ( 6.401 0.000 2.457) 6.856 5.390 ( 8.249 0.000 -2.165) 8.529 5.456 ( 6.226 0.000 7.752) 9.942 5.567 ( -3.428 0.000 -2.621) 4.315 5.758 ( -1.460 0.000 -2.290) 2.716 5.993 ( 9.766 0.000 2.293) 10.032 6.064 ( 1.871 0.000 -4.225) 4.621 6.165 ( 2.304 0.000 1.084) 2.546 6.189 ( 7.696 0.000 2.884) 8.219 6.219 ( -2.772 0.000 1.110) 2.986 6.285 ( 14.241 0.000 -1.041) 14.279 6.689 ( 4.806 0.000 1.811) 5.136 6.806 ( 15.374 0.000 1.395) 15.437 6.892 ( 8.834 0.000 -2.795) 9.266 7.044 ( 9.682 0.000 -1.448) 9.790 7.177 ( -2.165 0.000 3.387) 4.020 7.294 ( 0.889 0.000 2.183) 2.357 7.400 ( 4.715 0.000 2.007) 5.125 7.578 ( 3.581 0.000 -2.585) 4.416 7.682 ( -3.591 0.000 -3.739) 5.184 7.751 ( 5.987 0.000 -5.481) 8.117 7.812 ( -5.102 0.000 3.504) 6.189 7.877 ( 5.434 0.000 -0.179) 5.437 8.175 ( 3.525 0.000 0.077) 3.526 8.223 ( 5.291 0.000 -1.025) 5.390 8.454 ( 2.795 0.000 -1.355) 3.106 8.520 ( -2.432 0.000 4.358) 4.991 8.606 ( -2.586 0.000 6.748) 7.227 8.785 ( 2.445 0.000 -2.459) 3.467 8.930 ( -0.353 0.000 -4.334) 4.349 8.984 ( -4.231 0.000 -0.850) 4.316 9.279 ( -10.628 0.000 1.622) 10.752 9.299 ( 0.896 0.000 -10.082) 10.122 9.507 ( -5.078 0.000 1.048) 5.185 9.547 ( -8.968 0.000 4.028) 9.831 9.792 ( -4.153 0.000 6.090) 7.372 9.954 ( 2.576 0.000 -3.569) 4.402 10.005 ( 0.499 0.000 2.823) 2.866 10.050 ( -1.694 0.000 -1.117) 2.029 10.882 ( 2.903 0.000 -2.525) 3.848 11.341 ( 0.105 0.000 -4.811) 4.812 11.891 ( 0.736 0.000 5.714) 5.761 11.907 ( 5.489 0.000 0.761) 5.542 12.211 ( -6.509 0.000 0.296) 6.516 12.237 ( -4.077 0.000 -0.177) 4.081 12.812 ( 0.656 0.000 1.240) 1.403 13.020 ( -0.547 0.000 -3.472) 3.515 13.352 ( 0.731 0.000 2.303) 2.417 13.359 ( -0.780 0.000 -2.457) 2.578 13.367 ( -1.289 0.000 -2.860) 3.137 13.478 ( 2.381 0.000 1.313) 2.719 13.605 ( -2.918 0.000 2.843) 4.074 13.800 ( 3.779 0.000 -4.518) 5.890 14.212 ( 2.217 0.000 5.044) 5.510 14.266 ( -0.741 0.000 5.985) 6.031 14.353 ( 4.413 0.000 -3.596) 5.693 14.494 ( -0.341 0.000 -0.243) 0.419 14.702 ( 5.040 0.000 -3.381) 6.069 14.756 ( 0.095 0.000 -0.719) 0.725 15.182 ( 4.396 0.000 -0.813) 4.470 15.390 ( 0.652 0.000 2.441) 2.527 15.433 ( -8.846 0.000 6.739) 11.121 15.498 ( 0.788 0.000 -5.730) 5.784 15.630 ( -0.631 0.000 -2.208) 2.297 15.743 ( -1.340 0.000 2.323) 2.682 15.890 ( -7.154 0.000 -2.592) 7.609 15.959 ( -9.696 0.000 0.434) 9.706 21.069 ( -0.078 0.000 0.052) 0.094 21.099 ( -0.403 0.000 -0.373) 0.549 21.166 ( -2.510 0.000 3.152) 4.029 21.265 ( 0.484 0.000 -2.634) 2.678 24.549 ( -0.849 0.000 -0.234) 0.881 24.570 ( -0.593 0.000 -0.327) 0.677 24.744 ( -0.680 0.000 1.003) 1.212 24.765 ( 0.132 0.000 -0.480) 0.498 25.538 ( 3.843 0.000 0.359) 3.860 25.657 ( 4.710 0.000 -0.521) 4.739 25.846 ( 5.261 0.000 1.477) 5.465 25.958 ( 1.026 0.000 -0.694) 1.239 26.534 ( 5.539 0.000 4.400) 7.074 26.698 ( 4.364 0.000 0.301) 4.374 26.806 ( 2.523 0.000 0.186) 2.530 27.000 ( -6.442 0.000 8.462) 10.635 27.166 ( 4.752 0.000 -13.118) 13.952 27.175 ( 1.550 0.000 -3.726) 4.036 27.587 ( -6.296 0.000 -0.378) 6.308 27.599 ( 5.663 0.000 -5.420) 7.839 28.035 ( -2.124 0.000 8.140) 8.412 28.157 ( -2.442 0.000 5.119) 5.671 28.484 ( 1.153 0.000 -1.258) 1.706 28.772 ( -3.628 0.000 2.921) 4.658 28.773 ( 1.965 0.000 -0.137) 1.970 28.853 ( -3.678 0.000 -3.117) 4.822 29.365 ( 2.327 0.000 0.612) 2.406 29.440 ( 1.924 0.000 -1.422) 2.393 31.247 ( 1.721 0.000 -1.559) 2.322 31.257 ( -2.829 0.000 2.861) 4.024 31.319 ( -6.350 0.000 2.295) 6.752 31.435 ( -6.264 0.000 -5.396) 8.267 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -3.538 0.000 0.994) 3.675 1.775 ( 5.103 0.000 -13.044) 14.007 2.111 ( 0.925 0.000 4.746) 4.835 2.203 ( -3.820 0.000 1.755) 4.204 2.212 ( -9.983 0.000 -2.950) 10.410 2.390 ( 4.491 0.000 3.506) 5.697 2.407 ( -2.001 0.000 5.938) 6.266 2.478 ( -4.254 0.000 -1.143) 4.405 2.599 ( 7.647 0.000 1.800) 7.856 2.600 ( -1.130 0.000 0.024) 1.130 2.785 ( 9.322 0.000 -9.992) 13.665 2.797 ( -1.901 0.000 1.848) 2.651 2.817 ( 4.926 0.000 10.643) 11.728 3.029 ( -4.530 0.000 -1.612) 4.808 3.042 ( 3.616 0.000 0.917) 3.730 3.147 ( -1.546 0.000 -1.814) 2.383 3.176 ( 8.229 0.000 8.896) 12.118 3.422 ( -4.470 0.000 8.140) 9.286 3.450 ( -1.859 0.000 -1.481) 2.377 3.593 ( 3.955 0.000 7.692) 8.649 3.625 ( -5.797 0.000 4.024) 7.057 3.723 ( -3.222 0.000 -10.551) 11.032 3.861 ( -9.598 0.000 -2.864) 10.016 3.867 ( 2.311 0.000 -5.590) 6.049 4.249 ( 4.452 0.000 0.387) 4.469 4.293 ( 0.849 0.000 -5.536) 5.601 4.378 ( 1.038 0.000 0.953) 1.409 4.471 ( 4.681 0.000 -1.387) 4.882 4.699 ( -5.967 0.000 4.564) 7.512 4.807 ( -1.309 0.000 -1.241) 1.804 4.965 ( 4.969 0.000 -2.165) 5.420 5.108 ( -1.961 0.000 3.750) 4.232 5.118 ( -1.416 0.000 -10.549) 10.644 5.388 ( 3.429 0.000 6.644) 7.476 5.436 ( 3.890 0.000 -8.063) 8.953 5.501 ( -4.629 0.000 5.662) 7.314 5.577 ( -0.717 0.000 2.307) 2.416 5.726 ( -0.375 0.000 0.188) 0.419 6.062 ( 2.067 0.000 -1.937) 2.833 6.071 ( -1.417 0.000 -3.188) 3.488 6.171 ( -1.628 0.000 0.962) 1.891 6.212 ( -0.237 0.000 1.586) 1.604 6.312 ( -0.428 0.000 4.451) 4.472 6.442 ( 0.408 0.000 -1.679) 1.727 6.775 ( 2.060 0.000 6.001) 6.344 6.953 ( -1.347 0.000 -0.389) 1.402 6.988 ( 1.000 0.000 -1.791) 2.051 7.125 ( 1.085 0.000 -6.439) 6.530 7.155 ( -2.151 0.000 4.545) 5.028 7.235 ( -4.394 0.000 -0.783) 4.463 7.441 ( 0.576 0.000 1.805) 1.895 7.564 ( -2.391 0.000 -5.103) 5.635 7.643 ( 2.396 0.000 1.543) 2.850 7.774 ( 0.785 0.000 -5.654) 5.709 7.851 ( 2.278 0.000 6.665) 7.044 7.958 ( 2.683 0.000 -0.632) 2.757 8.193 ( -0.773 0.000 -0.477) 0.909 8.295 ( 3.434 0.000 -3.679) 5.032 8.462 ( -6.638 0.000 4.167) 7.837 8.538 ( 4.973 0.000 0.480) 4.996 8.615 ( -1.946 0.000 6.457) 6.743 8.803 ( 1.981 0.000 -0.418) 2.025 8.912 ( -1.244 0.000 -3.922) 4.115 8.927 ( 2.253 0.000 -4.110) 4.687 9.135 ( -5.803 0.000 0.768) 5.854 9.253 ( 2.459 0.000 -6.615) 7.057 9.482 ( 1.667 0.000 1.814) 2.464 9.490 ( -0.233 0.000 2.289) 2.301 9.761 ( -3.389 0.000 5.203) 6.209 9.964 ( 1.077 0.000 -2.456) 2.682 10.012 ( -0.830 0.000 -0.004) 0.830 10.023 ( -0.704 0.000 -0.118) 0.714 10.955 ( 4.667 0.000 2.499) 5.294 11.263 ( -2.163 0.000 -10.157) 10.385 11.919 ( -2.825 0.000 5.508) 6.191 11.996 ( 2.328 0.000 2.805) 3.645 12.148 ( -0.048 0.000 0.663) 0.664 12.189 ( -0.244 0.000 -1.059) 1.087 12.830 ( 0.338 0.000 1.701) 1.734 13.002 ( 1.885 0.000 -4.722) 5.085 13.328 ( -1.199 0.000 -1.268) 1.746 13.331 ( -0.740 0.000 -2.500) 2.608 13.396 ( 1.787 0.000 2.409) 2.999 13.491 ( -0.330 0.000 -1.377) 1.416 13.598 ( -1.375 0.000 5.114) 5.295 13.831 ( 3.698 0.000 -4.730) 6.004 14.220 ( -6.669 0.000 4.908) 8.280 14.265 ( -3.940 0.000 5.680) 6.912 14.417 ( 3.418 0.000 -1.093) 3.589 14.496 ( 1.827 0.000 -2.299) 2.937 14.732 ( -0.866 0.000 -1.180) 1.464 14.772 ( 5.260 0.000 -3.519) 6.328 15.241 ( 1.199 0.000 2.216) 2.519 15.336 ( -5.680 0.000 5.103) 7.636 15.375 ( -3.531 0.000 -2.938) 4.593 15.530 ( 6.914 0.000 -3.614) 7.801 15.629 ( 0.371 0.000 1.863) 1.899 15.714 ( -2.989 0.000 -1.521) 3.354 15.830 ( 2.798 0.000 0.146) 2.802 15.845 ( -1.556 0.000 -0.411) 1.609 21.072 ( 0.407 0.000 -0.132) 0.428 21.091 ( -0.083 0.000 -0.643) 0.648 21.148 ( -1.945 0.000 3.027) 3.598 21.265 ( 1.484 0.000 -2.108) 2.578 24.542 ( 0.152 0.000 0.095) 0.179 24.560 ( -0.083 0.000 -0.633) 0.638 24.741 ( -0.385 0.000 0.908) 0.987 24.768 ( 0.531 0.000 -0.176) 0.560 25.586 ( 0.731 0.000 1.460) 1.633 25.682 ( -0.615 0.000 -2.479) 2.554 25.911 ( 0.221 0.000 2.157) 2.168 25.966 ( -0.186 0.000 -0.235) 0.300 26.633 ( -0.094 0.000 6.993) 6.993 26.747 ( 0.831 0.000 0.007) 0.831 26.809 ( -1.491 0.000 -0.543) 1.587 26.931 ( -7.307 0.000 6.412) 9.721 27.144 ( 3.936 0.000 -13.078) 13.657 27.224 ( 6.329 0.000 -2.776) 6.911 27.485 ( -4.048 0.000 -1.056) 4.184 27.659 ( 5.283 0.000 -5.909) 7.926 28.071 ( -1.257 0.000 10.403) 10.478 28.150 ( -2.167 0.000 4.009) 4.557 28.526 ( 2.727 0.000 2.306) 3.572 28.735 ( -3.269 0.000 -5.703) 6.574 28.735 ( -2.260 0.000 2.031) 3.038 28.830 ( 2.637 0.000 -0.911) 2.790 29.390 ( -0.255 0.000 0.704) 0.749 29.451 ( 0.380 0.000 -1.612) 1.657 31.230 ( -2.725 0.000 2.281) 3.553 31.251 ( -1.502 0.000 0.003) 1.502 31.272 ( 0.702 0.000 -0.888) 1.132 31.364 ( 3.176 0.000 -3.226) 4.527 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -10.605 0.000 1.023) 10.654 1.707 ( -5.457 0.000 -6.385) 8.399 1.964 ( -12.554 0.000 1.742) 12.675 2.023 ( -6.328 0.000 -2.039) 6.648 2.196 ( -2.568 0.000 2.069) 3.297 2.341 ( -3.320 0.000 0.785) 3.411 2.471 ( 6.705 0.000 5.150) 8.454 2.492 ( 1.201 0.000 -1.152) 1.664 2.724 ( 4.760 0.000 5.589) 7.342 2.731 ( 10.134 0.000 -3.436) 10.701 2.769 ( -10.889 0.000 2.116) 11.093 2.876 ( 0.742 0.000 -8.103) 8.137 2.955 ( 11.962 0.000 -4.078) 12.638 3.053 ( 7.351 0.000 1.778) 7.562 3.134 ( 2.173 0.000 -3.285) 3.939 3.210 ( 11.517 0.000 5.230) 12.649 3.320 ( -8.524 0.000 -5.647) 10.225 3.376 ( 6.203 0.000 9.366) 11.234 3.465 ( 1.848 0.000 12.747) 12.880 3.501 ( -2.912 0.000 -6.322) 6.960 3.619 ( -7.981 0.000 -0.747) 8.016 3.687 ( -1.572 0.000 -2.625) 3.060 3.751 ( 3.852 0.000 11.894) 12.502 3.848 ( -1.038 0.000 -2.052) 2.300 4.242 ( -1.653 0.000 -5.749) 5.982 4.307 ( -2.335 0.000 -5.130) 5.637 4.378 ( 1.728 0.000 4.809) 5.110 4.500 ( 2.425 0.000 -9.815) 10.111 4.665 ( -2.002 0.000 5.691) 6.033 4.775 ( -3.035 0.000 2.842) 4.158 4.956 ( -6.774 0.000 -8.386) 10.781 4.990 ( -1.230 0.000 2.120) 2.451 5.147 ( 1.933 0.000 0.370) 1.968 5.359 ( -16.724 0.000 6.926) 18.101 5.437 ( 2.477 0.000 -7.333) 7.740 5.481 ( 2.335 0.000 4.829) 5.364 5.552 ( -0.833 0.000 -1.927) 2.100 5.746 ( 0.099 0.000 3.543) 3.545 5.882 ( -15.529 0.000 -4.748) 16.239 6.094 ( 0.771 0.000 -0.395) 0.866 6.123 ( -4.478 0.000 0.889) 4.565 6.195 ( -3.381 0.000 -0.236) 3.389 6.224 ( -9.842 0.000 2.459) 10.144 6.289 ( -11.771 0.000 -1.215) 11.833 6.775 ( -15.704 0.000 -0.133) 15.705 6.823 ( -5.629 0.000 4.576) 7.254 6.914 ( -3.927 0.000 0.591) 3.972 6.981 ( -8.949 0.000 -4.648) 10.084 7.154 ( -5.943 0.000 -0.677) 5.981 7.176 ( -0.145 0.000 4.502) 4.504 7.441 ( -4.222 0.000 3.016) 5.189 7.552 ( 3.265 0.000 -4.776) 5.786 7.706 ( 2.988 0.000 0.719) 3.073 7.709 ( -3.176 0.000 -4.372) 5.404 7.890 ( -1.372 0.000 0.821) 1.599 7.958 ( -0.951 0.000 -1.267) 1.585 8.174 ( -1.296 0.000 1.497) 1.980 8.230 ( -6.382 0.000 -2.763) 6.954 8.442 ( 2.244 0.000 1.562) 2.734 8.583 ( -1.547 0.000 3.131) 3.492 8.624 ( -2.334 0.000 7.288) 7.653 8.878 ( 5.954 0.000 -2.323) 6.392 8.891 ( 2.176 0.000 -4.588) 5.078 8.952 ( 4.658 0.000 -2.243) 5.170 9.061 ( -2.203 0.000 -1.630) 2.741 9.303 ( 6.994 0.000 -5.806) 9.090 9.542 ( 2.799 0.000 2.668) 3.867 9.592 ( 8.315 0.000 1.275) 8.413 9.761 ( -0.235 0.000 4.651) 4.657 9.938 ( -3.812 0.000 1.893) 4.256 10.001 ( 1.079 0.000 -2.585) 2.801 10.029 ( 1.807 0.000 0.034) 1.808 11.073 ( 4.216 0.000 5.971) 7.309 11.125 ( -2.923 0.000 -12.244) 12.588 11.877 ( -5.009 0.000 3.470) 6.094 12.021 ( -1.647 0.000 2.220) 2.764 12.213 ( 5.958 0.000 0.612) 5.990 12.222 ( 4.257 0.000 -0.457) 4.281 12.863 ( 1.845 0.000 2.870) 3.412 13.013 ( 3.158 0.000 -4.993) 5.908 13.290 ( -1.607 0.000 -2.053) 2.607 13.304 ( -0.798 0.000 0.004) 0.798 13.445 ( 1.573 0.000 1.656) 2.284 13.468 ( -0.570 0.000 -2.385) 2.452 13.613 ( -0.939 0.000 3.834) 3.947 13.867 ( 4.419 0.000 -6.925) 8.215 14.068 ( -12.135 0.000 5.585) 13.359 14.211 ( -5.452 0.000 3.522) 6.491 14.436 ( -2.171 0.000 2.137) 3.046 14.495 ( -0.820 0.000 -1.850) 2.024 14.725 ( 1.333 0.000 -2.702) 3.013 14.843 ( 4.781 0.000 -1.800) 5.109 15.245 ( -6.894 0.000 -3.599) 7.777 15.248 ( -2.029 0.000 3.858) 4.359 15.333 ( 1.229 0.000 3.500) 3.710 15.635 ( 6.028 0.000 -1.664) 6.254 15.647 ( -2.258 0.000 -2.310) 3.230 15.699 ( 5.294 0.000 3.330) 6.255 15.889 ( 6.654 0.000 -2.575) 7.135 15.953 ( 9.201 0.000 0.641) 9.224 21.078 ( 0.031 0.000 0.311) 0.312 21.088 ( 0.421 0.000 -0.733) 0.845 21.145 ( -0.421 0.000 2.461) 2.496 21.285 ( 2.107 0.000 -1.842) 2.799 24.556 ( 1.200 0.000 0.123) 1.206 24.557 ( 0.359 0.000 -0.670) 0.761 24.743 ( -0.096 0.000 0.733) 0.740 24.780 ( 0.854 0.000 -0.227) 0.884 25.585 ( -2.576 0.000 2.379) 3.506 25.611 ( -4.662 0.000 -2.557) 5.318 25.889 ( -4.402 0.000 2.771) 5.201 25.933 ( -2.739 0.000 -1.990) 3.386 26.625 ( -7.093 0.000 9.326) 11.717 26.727 ( -3.003 0.000 -0.090) 3.004 26.757 ( -3.263 0.000 -2.087) 3.874 26.819 ( -7.036 0.000 -1.135) 7.127 27.137 ( 3.833 0.000 -6.792) 7.799 27.342 ( 3.193 0.000 4.542) 5.552 27.438 ( 4.735 0.000 -8.086) 9.370 27.705 ( 4.747 0.000 -5.927) 7.593 28.138 ( -1.915 0.000 3.088) 3.634 28.147 ( 0.148 0.000 12.187) 12.188 28.605 ( 2.968 0.000 3.345) 4.472 28.625 ( -3.280 0.000 -6.771) 7.524 28.725 ( -0.305 0.000 2.628) 2.646 28.886 ( 4.400 0.000 -1.829) 4.765 29.370 ( -2.467 0.000 1.250) 2.766 29.428 ( -1.339 0.000 -2.015) 2.419 31.196 ( -1.633 0.000 0.537) 1.719 31.260 ( 1.698 0.000 0.564) 1.789 31.288 ( 2.232 0.000 0.558) 2.301 31.465 ( 9.092 0.000 -3.508) 9.746 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -16.943 0.000 3.883) 17.382 1.475 ( -21.432 0.000 9.512) 23.448 1.739 ( -5.846 0.000 -14.002) 15.174 1.960 ( 0.388 0.000 -3.043) 3.067 2.188 ( -2.428 0.000 -0.594) 2.499 2.343 ( 1.536 0.000 3.165) 3.519 2.411 ( -14.604 0.000 -4.517) 15.286 2.496 ( 2.347 0.000 -4.164) 4.780 2.639 ( 2.232 0.000 3.762) 4.374 2.829 ( 4.226 0.000 -2.129) 4.732 2.842 ( 1.729 0.000 8.060) 8.243 2.946 ( 2.943 0.000 0.618) 3.007 3.060 ( -0.519 0.000 2.584) 2.636 3.128 ( -3.548 0.000 0.767) 3.630 3.193 ( 7.739 0.000 -3.238) 8.389 3.224 ( 4.309 0.000 -4.754) 6.416 3.351 ( 6.346 0.000 -2.106) 6.687 3.430 ( -0.618 0.000 -4.147) 4.192 3.509 ( -3.124 0.000 4.705) 5.648 3.515 ( 0.521 0.000 0.294) 0.598 3.695 ( 10.701 0.000 11.203) 15.492 3.708 ( 2.849 0.000 0.770) 2.952 3.790 ( -1.176 0.000 2.200) 2.495 3.904 ( 0.571 0.000 9.697) 9.714 4.135 ( -5.075 0.000 -6.725) 8.425 4.165 ( -6.159 0.000 -4.586) 7.679 4.434 ( -0.132 0.000 -12.285) 12.286 4.464 ( 2.966 0.000 2.346) 3.781 4.622 ( -8.098 0.000 -1.673) 8.269 4.701 ( -8.723 0.000 4.763) 9.939 4.809 ( -2.812 0.000 -0.748) 2.910 4.929 ( -6.894 0.000 -1.805) 7.126 5.081 ( -15.809 0.000 6.109) 16.948 5.131 ( -4.152 0.000 -1.104) 4.297 5.374 ( -8.253 0.000 1.094) 8.325 5.484 ( -20.150 0.000 -3.030) 20.377 5.515 ( 0.691 0.000 -4.913) 4.962 5.560 ( 2.695 0.000 1.645) 3.157 5.752 ( -5.139 0.000 9.005) 10.368 5.962 ( -14.888 0.000 2.526) 15.101 5.982 ( -12.147 0.000 0.029) 12.147 6.081 ( -3.100 0.000 -3.996) 5.057 6.116 ( -1.990 0.000 2.950) 3.558 6.202 ( 0.954 0.000 -2.197) 2.395 6.463 ( -16.121 0.000 2.747) 16.353 6.582 ( -16.348 0.000 -4.204) 16.879 6.794 ( -9.289 0.000 -0.082) 9.289 6.864 ( -8.113 0.000 -2.056) 8.370 6.999 ( -9.226 0.000 -0.012) 9.226 7.180 ( -3.589 0.000 8.036) 8.801 7.412 ( 0.016 0.000 4.060) 4.060 7.516 ( -3.333 0.000 -9.046) 9.641 7.567 ( -8.781 0.000 0.705) 8.810 7.687 ( -5.659 0.000 -1.130) 5.770 7.899 ( 4.363 0.000 -3.963) 5.894 7.955 ( 1.701 0.000 -0.118) 1.705 8.105 ( -4.762 0.000 -0.940) 4.854 8.157 ( -1.341 0.000 0.078) 1.344 8.527 ( 4.854 0.000 1.863) 5.200 8.572 ( -0.808 0.000 2.687) 2.806 8.649 ( -0.434 0.000 5.982) 5.997 8.900 ( 2.245 0.000 -5.038) 5.516 8.981 ( 6.111 0.000 1.225) 6.233 9.031 ( 5.140 0.000 -5.312) 7.391 9.034 ( 1.489 0.000 -2.879) 3.241 9.393 ( 6.091 0.000 -2.636) 6.637 9.591 ( -0.226 0.000 2.315) 2.326 9.752 ( 4.911 0.000 1.448) 5.120 9.833 ( 4.560 0.000 3.746) 5.902 9.881 ( -3.459 0.000 3.650) 5.029 10.012 ( 2.764 0.000 -0.886) 2.903 10.103 ( 6.568 0.000 -0.878) 6.627 11.000 ( -0.457 0.000 -10.971) 10.980 11.188 ( 2.815 0.000 7.025) 7.568 11.778 ( -7.820 0.000 -0.113) 7.820 11.970 ( -4.970 0.000 0.337) 4.982 12.320 ( 5.808 0.000 1.046) 5.901 12.363 ( 9.867 0.000 -0.262) 9.870 12.956 ( 5.047 0.000 5.121) 7.190 13.035 ( 3.687 0.000 -6.919) 7.840 13.250 ( -1.709 0.000 -0.055) 1.710 13.298 ( -0.560 0.000 1.349) 1.461 13.426 ( -1.731 0.000 -3.474) 3.882 13.463 ( -0.267 0.000 -0.797) 0.841 13.618 ( -0.958 0.000 2.047) 2.259 13.805 ( -5.692 0.000 -5.739) 8.083 13.988 ( -0.105 0.000 4.782) 4.783 14.134 ( -4.748 0.000 2.045) 5.170 14.366 ( -7.211 0.000 2.708) 7.703 14.442 ( -2.870 0.000 -2.377) 3.727 14.720 ( -0.405 0.000 -1.527) 1.580 14.927 ( 4.985 0.000 0.212) 4.989 15.091 ( -5.963 0.000 -4.913) 7.726 15.257 ( -0.328 0.000 4.722) 4.733 15.398 ( 1.730 0.000 4.662) 4.973 15.604 ( 0.083 0.000 -2.591) 2.592 15.743 ( 5.635 0.000 1.256) 5.773 15.840 ( 7.824 0.000 0.753) 7.860 16.024 ( 9.869 0.000 -3.193) 10.373 16.148 ( 10.751 0.000 0.636) 10.769 21.078 ( -0.488 0.000 1.229) 1.322 21.098 ( 1.125 0.000 -0.472) 1.220 21.169 ( 1.176 0.000 1.662) 2.036 21.309 ( 2.018 0.000 -1.955) 2.809 24.563 ( 0.756 0.000 -0.291) 0.810 24.587 ( 2.205 0.000 -0.345) 2.231 24.747 ( -0.134 0.000 0.636) 0.650 24.793 ( 0.644 0.000 -0.500) 0.816 25.483 ( -7.305 0.000 -1.524) 7.462 25.519 ( -6.584 0.000 2.030) 6.889 25.805 ( -7.244 0.000 4.437) 8.494 25.833 ( -5.002 0.000 -5.609) 7.515 26.534 ( -10.051 0.000 9.501) 13.831 26.638 ( -7.058 0.000 1.848) 7.296 26.654 ( -6.107 0.000 -1.958) 6.413 26.662 ( -5.588 0.000 -9.351) 10.893 27.183 ( 4.533 0.000 -2.283) 5.075 27.338 ( -3.880 0.000 3.442) 5.187 27.584 ( 14.233 0.000 -8.555) 16.606 27.751 ( 4.324 0.000 -3.822) 5.771 28.131 ( -1.192 0.000 3.164) 3.381 28.255 ( 1.795 0.000 11.575) 11.713 28.520 ( -2.405 0.000 -6.637) 7.059 28.656 ( 0.373 0.000 1.997) 2.032 28.786 ( 3.361 0.000 5.372) 6.336 28.962 ( 5.474 0.000 -2.430) 5.989 29.326 ( -3.439 0.000 2.127) 4.044 29.373 ( -2.618 0.000 -2.866) 3.882 31.181 ( -0.154 0.000 0.037) 0.158 31.317 ( 2.987 0.000 3.267) 4.427 31.369 ( 5.399 0.000 1.723) 5.667 31.622 ( 11.228 0.000 -5.269) 12.403 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -19.126 0.000 11.633) 22.386 1.059 ( -28.917 0.000 8.770) 30.218 1.520 ( -15.765 0.000 -5.565) 16.718 1.870 ( -14.329 0.000 -10.286) 17.638 1.929 ( 1.226 0.000 -11.098) 11.165 2.421 ( 1.069 0.000 6.562) 6.649 2.434 ( 4.345 0.000 9.725) 10.651 2.510 ( 2.464 0.000 -7.143) 7.556 2.637 ( -1.210 0.000 0.704) 1.400 2.849 ( -3.974 0.000 5.045) 6.422 2.908 ( -3.039 0.000 9.849) 10.308 2.954 ( -2.201 0.000 -1.188) 2.501 2.997 ( -5.375 0.000 -0.730) 5.424 3.127 ( 3.010 0.000 1.967) 3.596 3.204 ( -3.266 0.000 -4.506) 5.565 3.207 ( -5.732 0.000 1.460) 5.915 3.385 ( -1.347 0.000 -2.967) 3.259 3.422 ( -0.256 0.000 3.423) 3.432 3.513 ( 5.722 0.000 0.376) 5.735 3.681 ( 13.324 0.000 1.842) 13.451 3.719 ( -5.425 0.000 -4.882) 7.299 3.775 ( 3.227 0.000 -0.532) 3.270 3.808 ( -5.717 0.000 -5.556) 7.971 3.967 ( -1.303 0.000 0.692) 1.475 4.051 ( 1.299 0.000 9.637) 9.724 4.059 ( -1.740 0.000 -3.286) 3.718 4.300 ( -5.659 0.000 -9.494) 11.052 4.420 ( -7.831 0.000 -0.467) 7.844 4.498 ( -3.780 0.000 1.414) 4.036 4.547 ( -5.136 0.000 -0.446) 5.156 4.706 ( -12.416 0.000 -6.505) 14.017 4.808 ( 0.233 0.000 0.151) 0.278 4.906 ( -6.071 0.000 -2.276) 6.484 4.999 ( -8.315 0.000 1.164) 8.396 5.146 ( -14.006 0.000 -0.883) 14.034 5.229 ( -8.235 0.000 10.375) 13.245 5.466 ( -2.394 0.000 -7.870) 8.226 5.616 ( -13.889 0.000 0.641) 13.904 5.633 ( 1.874 0.000 1.547) 2.429 5.754 ( -9.910 0.000 4.052) 10.706 5.826 ( -6.269 0.000 12.769) 14.225 5.978 ( -5.269 0.000 -1.229) 5.410 6.133 ( -1.983 0.000 10.465) 10.651 6.154 ( -11.662 0.000 -7.787) 14.023 6.294 ( -1.323 0.000 -2.901) 3.189 6.318 ( -2.427 0.000 3.849) 4.551 6.620 ( -12.362 0.000 -3.509) 12.851 6.633 ( -9.215 0.000 4.421) 10.221 6.872 ( -4.119 0.000 0.023) 4.119 7.078 ( -8.989 0.000 -1.049) 9.050 7.324 ( -8.076 0.000 -6.893) 10.618 7.445 ( -3.463 0.000 2.417) 4.223 7.506 ( -10.841 0.000 -6.211) 12.494 7.547 ( 1.504 0.000 11.827) 11.923 7.908 ( 1.875 0.000 -15.199) 15.315 8.005 ( 2.975 0.000 0.853) 3.095 8.086 ( 4.744 0.000 0.228) 4.749 8.138 ( 0.070 0.000 -1.382) 1.384 8.601 ( -0.072 0.000 1.590) 1.592 8.605 ( 1.897 0.000 1.879) 2.670 8.683 ( 0.247 0.000 2.854) 2.865 8.897 ( 1.509 0.000 -3.098) 3.447 9.044 ( 2.527 0.000 -8.487) 8.855 9.082 ( 5.985 0.000 -2.897) 6.649 9.101 ( 5.189 0.000 0.708) 5.237 9.473 ( 1.440 0.000 1.470) 2.058 9.584 ( -1.218 0.000 4.930) 5.078 9.740 ( -7.127 0.000 8.429) 11.038 9.847 ( -3.678 0.000 0.957) 3.800 9.968 ( 6.789 0.000 3.399) 7.592 10.161 ( 12.671 0.000 -0.164) 12.672 10.243 ( 10.184 0.000 -4.206) 11.019 10.951 ( 2.606 0.000 -9.102) 9.468 11.280 ( 1.262 0.000 7.093) 7.205 11.574 ( -12.345 0.000 -4.154) 13.025 11.847 ( -7.818 0.000 -1.008) 7.883 12.444 ( 5.965 0.000 3.104) 6.724 12.559 ( 11.840 0.000 -1.950) 11.999 13.019 ( 2.542 0.000 -14.594) 14.814 13.101 ( 5.222 0.000 4.653) 6.994 13.234 ( -1.791 0.000 5.001) 5.312 13.289 ( -2.914 0.000 3.256) 4.369 13.354 ( -3.860 0.000 -1.426) 4.115 13.444 ( 1.531 0.000 -2.645) 3.056 13.615 ( 0.247 0.000 -0.113) 0.272 13.684 ( -4.770 0.000 0.358) 4.783 14.037 ( 2.331 0.000 0.138) 2.335 14.074 ( -3.693 0.000 2.351) 4.378 14.230 ( -8.622 0.000 1.696) 8.788 14.368 ( -2.619 0.000 -2.996) 3.979 14.685 ( -4.344 0.000 3.579) 5.629 14.969 ( -1.436 0.000 -7.430) 7.567 15.022 ( 5.607 0.000 -2.044) 5.968 15.313 ( 1.303 0.000 8.028) 8.134 15.448 ( -0.787 0.000 8.393) 8.430 15.631 ( 4.249 0.000 -1.207) 4.418 15.839 ( 4.512 0.000 -1.886) 4.890 15.981 ( 7.023 0.000 -0.911) 7.082 16.197 ( 10.352 0.000 -0.911) 10.392 16.335 ( 8.650 0.000 0.132) 8.651 21.081 ( -0.484 0.000 1.925) 1.985 21.125 ( 1.985 0.000 0.506) 2.049 21.207 ( 1.683 0.000 1.169) 2.049 21.327 ( 1.524 0.000 -2.105) 2.599 24.585 ( 1.489 0.000 0.650) 1.625 24.621 ( 1.813 0.000 -1.413) 2.299 24.750 ( 0.192 0.000 0.230) 0.300 24.792 ( -0.326 0.000 -0.791) 0.856 25.330 ( -8.027 0.000 -1.187) 8.115 25.385 ( -8.213 0.000 0.621) 8.237 25.659 ( -7.379 0.000 -11.263) 13.465 25.689 ( -10.132 0.000 6.584) 12.083 26.417 ( -9.092 0.000 7.738) 11.940 26.467 ( -6.318 0.000 -13.508) 14.912 26.513 ( -7.571 0.000 -1.327) 7.686 26.516 ( -7.330 0.000 2.074) 7.618 27.254 ( 4.151 0.000 -1.044) 4.281 27.287 ( -3.578 0.000 1.770) 3.992 27.773 ( 12.886 0.000 -9.601) 16.069 27.803 ( 3.327 0.000 -1.616) 3.699 28.151 ( 0.256 0.000 4.925) 4.932 28.387 ( 4.974 0.000 5.985) 7.782 28.443 ( -0.626 0.000 -5.933) 5.966 28.674 ( -0.444 0.000 4.103) 4.127 28.895 ( 3.468 0.000 5.059) 6.133 29.042 ( 5.209 0.000 -3.015) 6.018 29.281 ( -3.346 0.000 2.705) 4.303 29.293 ( -3.039 0.000 -4.241) 5.217 31.190 ( 0.669 0.000 0.850) 1.082 31.441 ( 4.995 0.000 14.522) 15.357 31.491 ( 6.266 0.000 0.153) 6.268 31.794 ( 11.596 0.000 -4.631) 12.487 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -16.912 0.000 24.933) 30.127 0.692 ( -20.749 0.000 25.595) 32.949 1.010 ( -36.529 0.000 22.075) 42.681 1.694 ( 1.377 0.000 -14.667) 14.731 1.843 ( 1.977 0.000 -20.337) 20.433 2.366 ( -6.299 0.000 -5.084) 8.095 2.484 ( -2.094 0.000 -0.477) 2.148 2.488 ( -1.842 0.000 4.557) 4.915 2.649 ( -4.428 0.000 -0.496) 4.456 2.750 ( -13.406 0.000 2.313) 13.604 2.827 ( -3.472 0.000 10.916) 11.455 2.878 ( -1.547 0.000 2.760) 3.164 3.001 ( -0.026 0.000 5.332) 5.333 3.086 ( -3.430 0.000 -4.648) 5.776 3.133 ( -0.511 0.000 -10.864) 10.876 3.239 ( 4.069 0.000 3.869) 5.615 3.326 ( -4.756 0.000 -0.949) 4.850 3.438 ( -3.442 0.000 4.398) 5.584 3.510 ( -5.543 0.000 -4.629) 7.222 3.584 ( -0.136 0.000 -9.411) 9.412 3.709 ( 1.771 0.000 4.025) 4.397 3.719 ( -4.220 0.000 0.780) 4.291 3.904 ( 1.082 0.000 -17.210) 17.244 3.939 ( -2.634 0.000 3.028) 4.013 4.042 ( 6.652 0.000 1.595) 6.841 4.084 ( -5.414 0.000 4.240) 6.877 4.188 ( 1.786 0.000 -5.072) 5.377 4.324 ( -9.372 0.000 -8.664) 12.763 4.359 ( 0.143 0.000 -0.823) 0.836 4.503 ( -3.280 0.000 -0.599) 3.334 4.551 ( 0.448 0.000 0.401) 0.601 4.684 ( -8.263 0.000 -4.326) 9.327 4.863 ( 1.325 0.000 -5.102) 5.271 4.899 ( -8.549 0.000 -2.100) 8.803 4.926 ( -6.075 0.000 4.915) 7.814 5.224 ( -4.242 0.000 0.512) 4.273 5.348 ( -10.905 0.000 -0.479) 10.915 5.390 ( 2.709 0.000 2.689) 3.817 5.598 ( -8.700 0.000 -0.692) 8.728 5.725 ( 4.384 0.000 0.300) 4.394 5.817 ( -4.726 0.000 4.561) 6.568 5.856 ( -8.824 0.000 -5.623) 10.463 5.920 ( -2.792 0.000 5.389) 6.069 6.169 ( -3.071 0.000 3.647) 4.768 6.324 ( 2.665 0.000 -5.828) 6.408 6.438 ( -3.866 0.000 -0.428) 3.890 6.453 ( -2.091 0.000 15.631) 15.770 6.641 ( 17.915 0.000 20.279) 27.059 6.838 ( 0.935 0.000 4.306) 4.406 6.964 ( -3.268 0.000 2.339) 4.018 7.137 ( -15.915 0.000 -7.083) 17.420 7.265 ( -1.828 0.000 -3.505) 3.953 7.321 ( -8.416 0.000 -0.969) 8.472 7.621 ( -2.063 0.000 4.751) 5.180 7.622 ( -15.241 0.000 -27.881) 31.774 8.102 ( 5.570 0.000 -0.969) 5.654 8.143 ( 1.220 0.000 -0.479) 1.311 8.233 ( 6.820 0.000 2.749) 7.353 8.519 ( -5.655 0.000 -4.629) 7.308 8.637 ( 0.523 0.000 -1.259) 1.363 8.704 ( -0.677 0.000 3.044) 3.119 8.937 ( 4.038 0.000 1.468) 4.297 9.014 ( 1.307 0.000 -9.801) 9.888 9.169 ( 2.085 0.000 2.920) 3.588 9.184 ( 5.414 0.000 0.303) 5.423 9.449 ( -2.806 0.000 -0.520) 2.853 9.627 ( -2.180 0.000 2.261) 3.141 9.672 ( -6.378 0.000 7.295) 9.690 9.789 ( -4.836 0.000 6.555) 8.146 10.154 ( 9.925 0.000 6.868) 12.069 10.389 ( 9.763 0.000 -8.441) 12.906 10.406 ( 13.671 0.000 -2.768) 13.948 10.887 ( -3.387 0.000 -10.356) 10.896 11.249 ( -15.458 0.000 1.896) 15.574 11.376 ( 1.377 0.000 -1.234) 1.849 11.690 ( -7.443 0.000 -1.437) 7.581 12.632 ( 11.741 0.000 10.220) 15.566 12.744 ( 9.632 0.000 -3.414) 10.219 12.924 ( 1.517 0.000 -10.568) 10.676 13.177 ( 1.231 0.000 0.288) 1.265 13.250 ( -2.380 0.000 1.644) 2.892 13.255 ( -2.207 0.000 6.226) 6.606 13.280 ( -3.289 0.000 4.833) 5.846 13.500 ( 2.286 0.000 1.515) 2.743 13.625 ( -3.349 0.000 4.786) 5.841 13.640 ( 3.213 0.000 -0.668) 3.282 13.996 ( -9.227 0.000 5.381) 10.682 14.059 ( 1.397 0.000 -3.022) 3.329 14.122 ( -2.214 0.000 -0.546) 2.280 14.305 ( -1.307 0.000 -4.077) 4.281 14.627 ( -5.728 0.000 7.794) 9.673 14.953 ( 5.014 0.000 -5.088) 7.143 15.075 ( 4.090 0.000 -9.042) 9.924 15.389 ( 0.737 0.000 5.457) 5.506 15.590 ( 5.901 0.000 10.030) 11.637 15.715 ( 4.794 0.000 4.110) 6.315 15.870 ( 2.406 0.000 -6.887) 7.295 16.076 ( 4.210 0.000 -1.316) 4.411 16.366 ( 7.264 0.000 0.554) 7.285 16.453 ( 3.995 0.000 -0.308) 4.007 21.087 ( -0.681 0.000 2.245) 2.346 21.191 ( 4.546 0.000 1.638) 4.832 21.245 ( 1.358 0.000 1.144) 1.776 21.338 ( 1.357 0.000 -1.223) 1.827 24.624 ( 1.601 0.000 1.249) 2.030 24.630 ( 0.628 0.000 -1.178) 1.335 24.716 ( -4.978 0.000 -5.724) 7.585 24.769 ( -1.296 0.000 -0.788) 1.516 25.173 ( -6.535 0.000 -3.467) 7.397 25.258 ( -4.930 0.000 -0.607) 4.967 25.374 ( -12.719 0.000 -9.375) 15.801 25.527 ( -12.346 0.000 6.214) 13.822 26.238 ( -7.492 0.000 -8.571) 11.384 26.331 ( -6.056 0.000 5.137) 7.941 26.373 ( -5.163 0.000 -1.561) 5.394 26.415 ( -4.984 0.000 1.671) 5.257 27.241 ( -2.394 0.000 1.275) 2.713 27.306 ( 2.327 0.000 -1.762) 2.919 27.840 ( 1.560 0.000 -1.080) 1.897 27.891 ( 7.766 0.000 -9.776) 12.485 28.215 ( 1.479 0.000 6.748) 6.908 28.414 ( 2.189 0.000 -5.426) 5.851 28.429 ( -5.275 0.000 -10.595) 11.836 28.701 ( 1.549 0.000 -2.195) 2.686 28.975 ( 1.565 0.000 4.720) 4.973 29.098 ( 3.337 0.000 -3.401) 4.764 29.202 ( -3.117 0.000 -3.091) 4.390 29.245 ( -2.683 0.000 2.344) 3.563 31.217 ( 0.789 0.000 2.646) 2.761 31.567 ( 3.322 0.000 -4.990) 5.995 31.890 ( 28.197 0.000 39.133) 48.234 31.985 ( 10.238 0.000 1.629) 10.367 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -7.244 5.184 23.433) 25.069 0.751 ( 4.429 11.640 24.229) 27.242 1.392 ( 4.429 19.750 38.626) 43.608 1.512 ( 9.378 -8.117 -19.665) 23.250 1.704 ( -5.159 -2.576 -18.907) 19.767 2.157 ( 1.467 -18.051 -3.951) 18.536 2.186 ( 0.572 -14.971 2.535) 15.195 2.421 ( -7.782 0.326 -0.601) 7.812 2.513 ( -1.377 -4.850 0.349) 5.054 2.633 ( 4.175 -1.259 7.982) 9.095 2.788 ( -0.702 -7.939 5.080) 9.451 2.870 ( -10.394 4.184 -6.643) 13.026 2.999 ( 0.941 -0.835 -1.171) 1.718 3.030 ( -4.283 11.338 0.085) 12.121 3.088 ( 0.120 -9.218 -4.334) 10.187 3.234 ( 0.254 1.375 -0.705) 1.566 3.261 ( 6.438 4.647 -6.387) 10.190 3.371 ( 1.320 -1.885 1.540) 2.769 3.431 ( 1.617 -0.126 2.837) 3.268 3.614 ( -0.301 1.189 -3.596) 3.799 3.700 ( 1.717 9.841 -1.806) 10.151 3.799 ( -0.610 5.939 3.895) 7.129 3.904 ( -2.097 1.344 -2.583) 3.588 3.937 ( -1.175 3.809 -5.850) 7.079 4.007 ( 1.574 0.265 7.612) 7.778 4.152 ( 4.731 -1.167 -0.164) 4.876 4.224 ( -2.050 -0.894 1.449) 2.665 4.247 ( -0.402 4.484 -1.116) 4.638 4.298 ( 3.118 -4.464 0.013) 5.445 4.463 ( -1.554 -4.575 -5.104) 7.028 4.530 ( -3.157 3.720 -4.353) 6.539 4.565 ( -0.607 -0.312 -4.298) 4.352 4.671 ( -0.011 -1.905 -0.089) 1.907 4.864 ( -2.783 2.223 -0.640) 3.619 4.970 ( -3.032 3.024 -1.071) 4.414 5.119 ( -0.616 0.815 -9.304) 9.360 5.266 ( 1.800 1.083 3.881) 4.413 5.406 ( -0.131 2.247 -2.477) 3.347 5.586 ( -10.921 -3.052 4.704) 12.277 5.609 ( 1.790 -0.599 6.105) 6.390 5.733 ( -0.187 -0.754 -2.061) 2.202 5.808 ( 3.157 2.079 -0.903) 3.887 5.952 ( 5.903 -2.958 10.381) 12.303 6.166 ( -7.171 -8.602 10.104) 15.083 6.216 ( -4.458 6.699 -0.005) 8.047 6.336 ( -0.904 5.853 3.445) 6.851 6.438 ( -2.770 3.257 -1.001) 4.391 6.546 ( 8.142 1.613 2.010) 8.540 6.867 ( 2.019 -2.002 5.602) 6.282 7.031 ( 2.667 1.839 2.237) 3.937 7.108 ( -1.912 -4.149 1.313) 4.754 7.162 ( -1.004 -2.228 -4.220) 4.877 7.263 ( 4.147 0.675 2.308) 4.794 7.488 ( -1.535 -2.803 0.291) 3.209 7.778 ( 9.039 -11.892 -1.248) 14.989 8.011 ( -2.829 -4.721 -11.197) 12.477 8.231 ( -5.957 2.963 2.812) 7.223 8.390 ( 12.410 7.331 -7.060) 16.050 8.550 ( 1.411 3.819 -1.438) 4.318 8.681 ( -2.129 3.573 -1.899) 4.572 8.724 ( -2.193 2.184 2.424) 3.932 8.924 ( -3.378 5.372 -4.840) 7.981 9.096 ( 7.829 -2.311 0.434) 8.175 9.239 ( -4.530 -0.453 8.314) 9.478 9.253 ( 1.609 -3.431 1.026) 3.926 9.391 ( -4.698 -2.428 4.020) 6.643 9.544 ( -3.511 -1.154 0.423) 3.720 9.588 ( 4.180 1.984 -3.996) 6.114 9.846 ( -1.907 1.366 5.035) 5.555 10.200 ( -3.593 -0.879 6.314) 7.317 10.372 ( 2.483 -5.776 -5.145) 8.124 10.596 ( 4.126 2.053 -6.231) 7.750 10.920 ( 3.157 4.395 1.535) 5.625 11.076 ( -3.461 3.859 -6.866) 8.603 11.461 ( 1.511 2.283 2.404) 3.643 11.575 ( -1.061 -1.032 -2.656) 3.040 12.628 ( -1.619 -4.883 6.398) 8.210 12.897 ( 1.510 2.680 -8.723) 9.250 12.976 ( 3.822 -4.596 4.982) 7.781 13.176 ( -3.096 -3.181 -2.265) 4.984 13.237 ( -7.693 2.597 -0.328) 8.127 13.251 ( 0.379 0.155 0.788) 0.888 13.411 ( 4.736 -5.221 0.289) 7.055 13.519 ( 3.225 -3.545 -4.639) 6.670 13.632 ( -1.268 -1.449 6.372) 6.656 13.711 ( 6.107 -5.956 4.662) 9.721 13.881 ( -1.661 1.072 3.650) 4.151 14.087 ( 6.074 5.346 -7.023) 10.715 14.268 ( 4.870 6.460 -3.600) 8.855 14.276 ( 1.003 2.560 -5.087) 5.783 14.583 ( -3.103 -2.643 8.317) 9.262 14.805 ( -7.650 -8.140 10.033) 15.015 14.990 ( -4.061 -3.472 -7.162) 8.935 15.236 ( -1.888 -6.680 -6.706) 9.652 15.649 ( -0.173 6.020 3.308) 6.872 15.745 ( 0.515 -1.324 5.864) 6.033 15.981 ( -3.277 9.808 -10.995) 15.094 16.057 ( 0.014 -6.537 -5.229) 8.371 16.372 ( 0.529 -5.813 4.437) 7.332 16.461 ( 0.655 -3.029 -0.109) 3.101 21.152 ( -1.183 4.621 1.609) 5.034 21.236 ( -1.282 1.387 0.628) 1.990 21.321 ( 0.717 4.933 0.472) 5.007 21.379 ( -0.676 3.202 -1.067) 3.443 24.655 ( 1.060 1.149 0.228) 1.580 24.657 ( 0.125 1.364 0.311) 1.405 24.677 ( 3.188 -0.671 3.071) 4.477 24.788 ( -0.338 1.171 -3.395) 3.607 25.138 ( -0.142 -0.440 1.051) 1.148 25.198 ( 1.016 -0.558 -1.700) 2.057 25.361 ( -4.090 -1.377 1.634) 4.615 25.381 ( 14.298 -2.512 1.962) 14.649 26.218 ( 1.703 0.802 0.577) 1.969 26.250 ( 1.496 0.649 -0.761) 1.800 26.340 ( 1.548 -1.230 1.712) 2.615 26.373 ( 1.690 -0.068 0.610) 1.798 27.129 ( -5.531 -2.137 9.542) 11.235 27.349 ( 0.852 2.329 -2.107) 3.254 27.676 ( -3.275 -4.862 1.959) 6.181 27.856 ( 0.909 -4.302 -6.403) 7.767 28.176 ( -8.533 8.712 4.277) 12.922 28.309 ( -4.246 1.511 1.878) 4.882 28.380 ( 5.337 -4.614 -1.868) 7.298 28.697 ( 2.151 -2.444 -5.876) 6.717 28.915 ( -0.088 -0.976 8.764) 8.819 29.009 ( -2.011 0.278 3.413) 3.971 29.223 ( -0.991 3.553 0.016) 3.689 29.564 ( 2.958 9.608 -21.184) 23.449 31.241 ( 0.267 -0.630 3.580) 3.645 31.410 ( -1.278 -8.572 -1.280) 8.761 32.046 ( -0.640 3.654 17.784) 18.167 32.676 ( -3.147 4.556 -17.972) 18.806 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 11.924 8.101 15.109) 20.882 1.167 ( 12.938 14.213 20.703) 28.249 1.553 ( 7.929 -6.016 -15.670) 18.564 1.662 ( 19.112 -5.010 -21.540) 29.229 1.876 ( 14.958 5.882 30.435) 34.418 2.068 ( -3.140 -16.823 -0.850) 17.134 2.292 ( 2.602 -3.270 -4.034) 5.809 2.372 ( 2.221 -10.404 6.335) 12.382 2.542 ( 4.265 -3.958 -10.473) 11.981 2.551 ( -2.452 5.285 -0.504) 5.847 2.790 ( 2.053 -1.331 2.906) 3.799 2.844 ( -0.798 -4.048 5.413) 6.806 3.006 ( 1.329 4.917 1.196) 5.232 3.025 ( -2.404 -3.377 3.505) 5.429 3.093 ( 3.710 -6.843 -1.940) 8.022 3.249 ( 0.325 0.540 -6.718) 6.748 3.315 ( 1.237 3.598 2.537) 4.573 3.360 ( 4.489 -2.908 -4.064) 6.718 3.512 ( 1.514 3.784 0.423) 4.097 3.583 ( -0.843 -2.260 -0.481) 2.460 3.727 ( -4.402 3.923 -8.386) 10.252 3.838 ( 3.428 3.077 -1.007) 4.715 3.882 ( 0.420 2.499 2.794) 3.772 3.959 ( 11.062 3.664 1.513) 11.751 4.068 ( -3.661 1.235 2.454) 4.578 4.177 ( -1.997 0.651 1.133) 2.386 4.246 ( 3.222 1.899 -4.417) 5.788 4.320 ( 11.273 1.379 2.604) 11.652 4.382 ( 2.773 -2.924 -0.060) 4.031 4.448 ( 8.849 -0.342 -8.963) 12.600 4.494 ( 4.773 2.399 -2.531) 5.911 4.603 ( 5.377 -1.175 1.317) 5.660 4.774 ( 1.450 1.061 -4.291) 4.652 4.806 ( 2.732 -4.374 9.886) 11.150 4.944 ( 5.809 5.593 -7.663) 11.124 5.144 ( 4.988 3.870 0.306) 6.321 5.383 ( 8.000 0.354 0.712) 8.039 5.476 ( 7.075 3.140 -0.992) 7.804 5.522 ( 1.526 -0.884 5.499) 5.775 5.708 ( 0.739 4.617 4.035) 6.176 5.784 ( 6.254 -2.743 1.258) 6.944 5.886 ( 7.003 2.316 -1.763) 7.584 6.027 ( -2.097 -3.547 -2.441) 4.790 6.146 ( -1.381 -0.818 6.151) 6.357 6.266 ( 5.847 -0.950 10.538) 12.089 6.393 ( 3.788 8.515 -4.029) 10.154 6.496 ( 8.824 4.609 6.242) 11.750 6.680 ( 6.246 4.100 -1.357) 7.594 6.933 ( 2.063 -2.238 5.484) 6.272 7.035 ( -0.676 2.019 -2.824) 3.536 7.161 ( 3.725 -3.063 -3.180) 5.776 7.176 ( 7.614 -3.369 -1.657) 8.490 7.344 ( -0.595 2.329 -5.821) 6.298 7.480 ( 6.032 -7.756 5.924) 11.474 7.798 ( -6.091 -2.105 -13.629) 15.076 7.883 ( 0.500 -11.472 1.024) 11.528 8.157 ( -3.127 1.648 0.706) 3.604 8.451 ( -6.712 0.926 0.661) 6.808 8.567 ( -2.624 1.289 -0.138) 2.926 8.628 ( -0.258 3.622 -1.031) 3.775 8.704 ( 1.860 2.580 -2.030) 3.773 8.775 ( -4.464 6.063 -4.629) 8.839 9.123 ( -3.343 -1.246 -3.201) 4.793 9.233 ( 2.457 -6.324 3.148) 7.480 9.305 ( -2.066 -1.019 1.766) 2.902 9.464 ( 0.518 -3.841 9.954) 10.682 9.531 ( 4.580 -3.003 1.446) 5.665 9.665 ( 7.840 3.023 -6.619) 10.697 9.849 ( -2.785 1.040 7.503) 8.071 10.124 ( -10.769 2.426 10.208) 15.035 10.303 ( -5.821 -4.139 -3.807) 8.093 10.392 ( -12.574 4.428 -10.137) 16.748 11.020 ( 3.969 3.988 -2.880) 6.321 11.112 ( 7.773 3.345 -0.965) 8.516 11.516 ( 4.467 -2.972 1.527) 5.579 11.618 ( 6.200 0.913 -2.614) 6.790 12.598 ( -6.198 1.317 5.698) 8.521 12.807 ( -6.039 1.792 -5.289) 8.225 12.920 ( -11.120 -3.211 -4.726) 12.502 13.053 ( -2.508 -6.328 2.000) 7.095 13.210 ( 2.386 -1.090 0.677) 2.709 13.243 ( -2.200 -3.619 3.683) 5.613 13.467 ( 2.197 -1.135 0.055) 2.473 13.532 ( 2.390 -4.746 -3.490) 6.358 13.619 ( -2.234 -4.456 1.660) 5.254 13.752 ( -2.551 5.889 1.649) 6.626 14.034 ( 7.356 -8.484 4.155) 11.973 14.151 ( 5.333 4.296 -5.521) 8.797 14.263 ( 2.954 1.430 -8.112) 8.751 14.372 ( 8.152 2.933 -4.529) 9.776 14.599 ( -2.088 -3.133 7.877) 8.730 14.664 ( -11.929 3.159 11.678) 16.990 14.914 ( 3.090 -4.684 -5.664) 7.973 15.222 ( 2.754 -3.824 -1.698) 5.009 15.640 ( -4.102 6.790 6.175) 10.053 15.763 ( -4.218 -1.900 6.485) 7.966 15.846 ( -3.225 6.845 -6.640) 10.067 15.993 ( -2.703 -7.249 -6.289) 9.970 16.363 ( -4.819 -4.022 3.422) 7.149 16.414 ( -4.783 -2.431 -1.403) 5.546 21.135 ( -2.008 4.302 2.201) 5.232 21.206 ( -2.071 3.337 1.257) 4.123 21.314 ( -2.010 4.413 0.677) 4.896 21.351 ( -0.761 2.649 -1.733) 3.256 24.625 ( -1.588 1.889 0.046) 2.468 24.701 ( 1.841 0.882 -0.830) 2.204 24.716 ( -0.142 -0.265 1.113) 1.153 24.763 ( -0.032 0.763 -2.241) 2.367 25.181 ( 4.668 -0.426 -0.394) 4.704 25.241 ( 5.106 2.263 -1.357) 5.747 25.374 ( 5.851 -1.916 -1.132) 6.260 25.673 ( 11.616 -9.807 -2.362) 15.385 26.215 ( 2.315 1.757 -0.789) 3.011 26.350 ( 4.538 -1.171 -0.681) 4.736 26.428 ( 6.228 -0.845 1.047) 6.372 26.625 ( 24.191 -8.723 -9.775) 27.511 27.119 ( -4.829 -0.530 13.399) 14.253 27.345 ( 0.461 2.235 -1.904) 2.972 27.621 ( -2.857 4.121 -0.784) 5.075 27.822 ( -0.371 -6.243 -4.334) 7.609 28.035 ( -6.265 8.804 1.356) 10.891 28.278 ( -5.199 0.869 7.763) 9.383 28.480 ( 5.816 -3.656 -0.282) 6.875 28.666 ( 0.074 -0.818 -8.135) 8.177 28.937 ( -4.446 0.728 5.083) 6.793 29.019 ( 1.181 -4.824 6.438) 8.132 29.179 ( -3.514 3.798 -0.205) 5.178 29.464 ( 0.848 7.315 -12.469) 14.481 31.267 ( -0.827 -1.418 4.655) 4.936 31.352 ( -2.847 -5.650 -2.747) 6.897 32.020 ( -15.901 6.015 13.588) 21.764 32.313 ( -17.139 7.966 -5.671) 19.732 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 15.073 7.503 6.831) 18.170 1.400 ( 3.689 14.934 10.756) 18.770 1.680 ( 12.722 -0.866 -9.550) 15.931 1.791 ( 7.251 1.006 -14.772) 16.486 2.031 ( 2.446 -10.862 2.367) 11.383 2.241 ( 11.092 -6.096 -12.496) 17.785 2.359 ( 9.473 -12.416 7.342) 17.257 2.471 ( -0.939 -2.487 9.171) 9.549 2.620 ( 1.285 -4.230 0.592) 4.460 2.695 ( 8.108 -3.525 12.007) 14.911 2.754 ( 2.471 3.812 -5.555) 7.176 2.913 ( -0.359 -1.082 6.008) 6.115 2.966 ( -3.959 -9.538 5.505) 11.703 3.058 ( 2.131 -4.026 2.190) 5.054 3.125 ( -5.078 -1.193 -4.177) 6.682 3.148 ( -0.479 -10.329 -2.482) 10.634 3.300 ( -1.905 0.373 -1.408) 2.398 3.369 ( -5.729 0.463 -8.191) 10.006 3.447 ( -1.002 -0.039 3.163) 3.318 3.645 ( 7.859 3.501 -1.696) 8.769 3.680 ( -0.500 2.809 -1.117) 3.064 3.842 ( -3.549 2.743 -0.630) 4.530 3.924 ( -2.177 8.739 3.184) 9.553 3.976 ( -0.759 7.895 -0.937) 7.987 4.151 ( 5.209 1.458 -3.086) 6.227 4.201 ( 6.056 0.451 2.131) 6.436 4.286 ( 8.315 1.671 -6.638) 10.770 4.433 ( 3.033 -1.596 -0.255) 3.437 4.532 ( 4.929 1.489 3.263) 6.096 4.564 ( 9.533 7.748 -1.557) 12.382 4.643 ( 13.919 -4.198 -7.516) 16.366 4.759 ( 5.200 -3.722 5.262) 8.281 4.838 ( 7.055 0.352 3.355) 7.820 4.936 ( 10.047 2.344 0.059) 10.317 5.132 ( 13.124 2.179 0.751) 13.325 5.259 ( 8.627 8.924 0.005) 12.413 5.500 ( -0.147 -1.280 0.922) 1.584 5.589 ( 12.661 -1.563 -0.817) 12.784 5.673 ( 3.815 1.250 0.445) 4.039 5.798 ( 7.911 3.056 3.942) 9.352 5.892 ( 5.056 1.967 3.509) 6.462 6.018 ( 5.867 0.387 0.173) 5.883 6.027 ( 3.797 -3.444 -2.362) 5.644 6.199 ( 7.277 5.079 4.044) 9.752 6.429 ( 7.004 4.363 -3.127) 8.825 6.452 ( 0.802 1.089 2.703) 3.022 6.663 ( 6.396 3.824 -0.335) 7.459 6.861 ( 13.294 1.073 2.033) 13.491 6.938 ( -4.895 0.163 -4.992) 6.994 7.014 ( 3.816 2.128 4.729) 6.438 7.224 ( 0.801 1.070 -4.449) 4.645 7.311 ( 17.306 -3.650 1.861) 17.784 7.482 ( 11.461 -0.730 -2.532) 11.760 7.611 ( 4.575 -2.325 -2.243) 5.601 7.691 ( 4.637 -3.074 -3.439) 6.540 7.875 ( -1.052 -8.344 0.120) 8.411 8.105 ( -3.196 -1.278 -0.227) 3.450 8.253 ( -11.917 2.570 1.197) 12.250 8.507 ( -3.838 -3.372 0.724) 5.160 8.562 ( -4.056 2.767 0.943) 5.000 8.696 ( -3.418 6.056 2.346) 7.339 8.782 ( 5.337 1.735 -5.332) 7.741 9.059 ( -1.526 0.224 -2.940) 3.320 9.186 ( -7.135 -0.775 1.909) 7.427 9.265 ( 0.092 -8.773 -5.314) 10.258 9.505 ( -5.367 -3.216 10.777) 12.461 9.678 ( 6.521 -3.978 3.393) 8.359 9.733 ( 2.919 0.622 -6.952) 7.565 9.854 ( -2.437 -1.466 6.191) 6.813 9.962 ( -13.309 2.076 6.944) 15.154 10.077 ( -10.837 1.907 -3.386) 11.512 10.189 ( -4.260 -2.036 -6.263) 7.843 11.022 ( 0.464 7.911 -4.429) 9.078 11.255 ( 5.602 3.148 3.959) 7.547 11.643 ( 8.901 -4.034 -3.475) 10.372 11.712 ( 4.231 -1.342 0.253) 4.446 12.496 ( -8.357 4.446 3.722) 10.172 12.580 ( -11.369 1.971 -3.473) 12.050 12.780 ( -1.725 -3.624 -2.966) 4.991 13.021 ( -2.561 -7.352 1.390) 7.909 13.241 ( -1.364 -5.871 3.979) 7.222 13.287 ( 4.765 -0.504 1.178) 4.934 13.478 ( -1.113 0.299 -2.838) 3.063 13.504 ( -2.019 -3.786 -1.825) 4.662 13.643 ( 5.242 1.343 -2.161) 5.827 13.722 ( -1.547 4.056 0.312) 4.352 14.130 ( 0.152 -1.942 6.078) 6.382 14.202 ( 4.072 4.295 -3.928) 7.103 14.251 ( 1.961 -1.709 -6.190) 6.715 14.455 ( 1.964 0.921 2.722) 3.480 14.615 ( 2.250 -0.471 -1.294) 2.638 14.648 ( 0.632 0.384 5.464) 5.514 14.983 ( 7.417 -2.665 -4.103) 8.885 15.268 ( 0.437 -4.877 4.633) 6.741 15.596 ( -2.962 -2.160 0.473) 3.696 15.705 ( -6.669 4.456 6.180) 10.126 15.734 ( -5.402 3.621 -3.793) 7.528 15.882 ( -5.319 -4.947 -1.976) 7.528 16.241 ( -9.014 -3.210 -1.100) 9.631 16.285 ( -8.538 -2.787 0.333) 8.988 21.117 ( -1.687 3.506 2.088) 4.416 21.181 ( -1.704 3.758 1.119) 4.275 21.263 ( -3.665 3.239 0.775) 4.952 21.324 ( -0.437 1.620 -2.679) 3.161 24.612 ( -0.447 2.054 0.591) 2.184 24.657 ( -2.892 1.349 -1.474) 3.515 24.745 ( 0.842 0.886 1.017) 1.590 24.768 ( 0.973 0.190 -1.176) 1.538 25.291 ( 7.677 0.235 -1.336) 7.796 25.382 ( 9.951 3.162 0.655) 10.462 25.512 ( 9.203 -2.513 -1.437) 9.647 25.814 ( 6.601 -6.777 -1.554) 9.587 26.295 ( 5.951 3.291 0.484) 6.818 26.452 ( 6.962 -0.142 -0.061) 6.963 26.569 ( 7.993 -0.323 0.312) 8.006 26.895 ( 14.800 -7.532 -14.137) 21.809 27.138 ( -5.368 -0.280 13.441) 14.477 27.340 ( -0.177 2.530 0.739) 2.642 27.573 ( 1.364 7.370 -7.675) 10.728 27.761 ( -3.299 -6.294 -3.434) 7.892 27.981 ( -2.277 1.889 4.422) 5.321 28.236 ( -5.215 2.639 8.055) 9.952 28.538 ( -0.566 -4.600 -5.485) 7.181 28.634 ( 3.653 -0.269 -0.418) 3.687 28.882 ( -4.777 1.215 4.396) 6.604 29.064 ( -1.806 0.347 -2.745) 3.304 29.141 ( -0.304 -3.461 7.809) 8.547 29.409 ( 1.234 2.151 -7.572) 7.968 31.277 ( -1.916 -1.985 4.131) 4.967 31.280 ( -2.444 -3.057 -2.234) 4.506 31.759 ( -17.132 8.783 5.790) 20.104 31.991 ( -16.431 3.264 -2.153) 16.890 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 7.837 0.950 -0.720) 7.927 1.582 ( 10.142 11.337 3.592) 15.630 1.807 ( 5.020 -5.798 -3.016) 8.241 1.843 ( 12.656 7.222 -5.435) 15.552 2.124 ( 3.048 -9.046 3.605) 10.204 2.363 ( 5.445 -1.682 -4.405) 7.203 2.467 ( -3.138 -1.278 -0.368) 3.409 2.492 ( 0.967 -4.486 0.762) 4.651 2.576 ( 0.780 -8.437 2.337) 8.790 2.693 ( -0.320 -4.325 -8.633) 9.661 2.790 ( -6.676 -5.369 1.632) 8.721 2.882 ( -6.217 -7.391 0.930) 9.702 2.969 ( 0.093 -7.281 -1.676) 7.471 3.013 ( -4.630 -5.318 4.453) 8.339 3.114 ( -1.719 -5.494 4.059) 7.043 3.146 ( -0.640 -0.860 -3.011) 3.196 3.255 ( -3.480 4.980 4.784) 7.733 3.349 ( 5.429 -2.904 2.857) 6.788 3.421 ( -4.069 1.651 2.222) 4.921 3.590 ( -4.142 -0.066 -0.371) 4.159 3.713 ( -5.467 11.125 0.330) 12.400 3.764 ( 3.402 3.847 -2.770) 5.835 3.876 ( -1.806 3.537 3.781) 5.483 4.057 ( 5.524 9.169 -0.173) 10.706 4.238 ( 5.959 4.814 1.137) 7.745 4.251 ( -0.458 0.142 -4.600) 4.625 4.384 ( 5.963 7.278 -3.075) 9.898 4.499 ( -0.148 1.044 -0.386) 1.122 4.628 ( 6.659 -2.070 3.367) 7.743 4.761 ( 4.433 -4.006 -5.383) 8.042 4.799 ( 10.228 0.254 -0.820) 10.264 4.842 ( 7.375 0.059 -2.209) 7.699 5.026 ( 7.664 -2.295 6.990) 10.624 5.162 ( 11.104 5.142 1.138) 12.290 5.325 ( 4.289 2.571 2.456) 5.572 5.433 ( 8.208 10.170 -1.281) 13.132 5.582 ( 11.275 -5.451 -1.441) 12.606 5.672 ( 1.344 2.472 -2.012) 3.459 5.866 ( 8.347 -0.116 -0.362) 8.356 5.899 ( 7.820 -0.164 4.159) 8.858 6.026 ( 3.986 -0.032 0.443) 4.011 6.070 ( 3.277 0.546 3.198) 4.611 6.151 ( 7.203 1.419 -1.520) 7.497 6.352 ( -6.042 0.630 -0.705) 6.116 6.510 ( 19.313 6.690 2.274) 20.565 6.583 ( 11.258 3.935 -2.435) 12.171 6.821 ( 8.660 0.599 -1.299) 8.778 6.854 ( 5.043 3.454 -5.023) 7.912 7.173 ( 7.485 1.736 7.836) 10.975 7.190 ( 1.350 2.159 1.049) 2.754 7.216 ( 16.141 2.427 0.588) 16.333 7.573 ( 4.184 -1.708 -4.954) 6.706 7.607 ( 8.409 -1.754 -2.356) 8.908 7.689 ( 5.806 -5.516 -2.225) 8.312 7.784 ( 2.209 1.592 1.704) 3.212 7.868 ( 0.550 -4.759 -1.892) 5.151 8.037 ( -1.502 -2.770 -1.907) 3.684 8.123 ( -2.511 -2.078 3.648) 4.892 8.443 ( -3.413 -4.893 1.049) 6.057 8.521 ( -1.512 1.188 1.919) 2.717 8.666 ( -1.627 6.249 2.648) 6.979 8.808 ( 1.286 1.230 -3.243) 3.699 9.015 ( -1.352 3.163 -2.304) 4.140 9.077 ( -5.655 -1.064 1.141) 5.866 9.204 ( -2.670 -11.900 -4.636) 13.048 9.443 ( -6.699 -1.718 4.274) 8.130 9.605 ( -9.881 -4.093 -3.761) 11.337 9.716 ( -12.098 -0.921 4.435) 12.918 9.786 ( -0.229 -1.948 2.408) 3.105 9.901 ( 1.149 -2.422 4.203) 4.985 9.978 ( 0.802 2.218 -3.612) 4.314 10.085 ( -3.541 -1.957 -2.701) 4.865 11.000 ( 0.425 10.661 -2.534) 10.967 11.360 ( 3.237 3.286 1.388) 4.817 11.752 ( 4.928 -4.124 -4.098) 7.622 11.787 ( 4.029 -3.974 3.028) 6.418 12.366 ( -7.186 3.489 1.340) 8.100 12.396 ( -7.277 3.892 -0.851) 8.296 12.759 ( -1.088 -3.691 1.389) 4.091 12.995 ( 0.344 -6.472 -1.522) 6.658 13.253 ( -0.195 -4.867 3.308) 5.888 13.378 ( 1.530 -3.750 0.469) 4.077 13.408 ( -0.051 0.649 -3.110) 3.177 13.463 ( -1.960 2.365 -1.618) 3.471 13.690 ( -1.299 5.299 0.499) 5.479 13.741 ( 5.767 0.063 -3.120) 6.557 14.165 ( -1.202 -0.801 6.745) 6.898 14.245 ( 2.229 3.953 0.964) 4.639 14.268 ( 5.506 -1.392 -6.972) 8.992 14.500 ( -0.204 -0.632 5.215) 5.257 14.663 ( 4.810 1.072 -4.917) 6.962 14.712 ( 2.973 -0.027 1.617) 3.384 15.092 ( 6.681 -0.600 -2.725) 7.241 15.303 ( -0.550 -4.555 5.314) 7.020 15.558 ( -0.500 -7.432 -1.821) 7.669 15.603 ( -3.967 3.221 -6.039) 7.911 15.614 ( -8.436 5.515 7.026) 12.286 15.781 ( -5.430 -3.004 1.842) 6.473 16.045 ( -9.991 -2.569 -2.580) 10.633 16.103 ( -11.072 -4.034 -0.091) 11.784 21.103 ( -1.164 2.868 1.263) 3.343 21.158 ( -1.375 3.878 0.217) 4.120 21.208 ( -3.096 1.584 1.816) 3.923 21.295 ( -0.319 1.085 -2.900) 3.113 24.599 ( -1.733 2.053 -0.244) 2.698 24.611 ( -0.663 2.611 -0.302) 2.710 24.753 ( -0.708 0.404 1.211) 1.460 24.773 ( 0.577 0.324 -1.085) 1.271 25.419 ( 6.462 -0.875 -0.448) 6.536 25.580 ( 9.689 4.681 0.823) 10.792 25.667 ( 7.726 -3.882 0.148) 8.647 25.909 ( 5.002 -2.598 -1.305) 5.785 26.423 ( 6.466 3.233 2.183) 7.551 26.589 ( 7.049 0.157 0.537) 7.071 26.710 ( 6.752 -0.246 -0.059) 6.756 27.006 ( 8.599 -4.808 -10.965) 14.741 27.099 ( -7.923 0.968 10.003) 12.797 27.346 ( 0.127 6.658 -0.692) 6.695 27.556 ( 3.331 1.793 -8.325) 9.144 27.660 ( -4.657 -4.425 -2.590) 6.926 27.997 ( -0.873 -0.992 6.182) 6.321 28.218 ( -3.317 4.760 7.520) 9.499 28.455 ( -1.602 -5.240 -6.173) 8.254 28.726 ( 3.409 -0.282 3.089) 4.609 28.832 ( -3.915 1.693 3.628) 5.600 28.972 ( -4.165 2.215 -3.677) 5.981 29.216 ( 1.675 -7.074 5.327) 9.013 29.393 ( 2.065 -2.262 -5.078) 5.930 31.233 ( -0.584 -1.497 -1.734) 2.364 31.268 ( -2.219 -1.614 3.402) 4.370 31.520 ( -12.071 6.009 2.747) 13.761 31.683 ( -13.513 2.532 -4.328) 14.413 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 3.704 -4.869 -1.786) 6.373 1.727 ( 4.788 3.397 -5.795) 8.249 1.937 ( 8.829 -0.257 3.694) 9.574 2.114 ( 13.608 -0.083 0.784) 13.631 2.148 ( -0.460 -11.658 4.597) 12.540 2.302 ( -4.578 0.377 -1.879) 4.962 2.441 ( 0.966 1.202 -2.451) 2.896 2.513 ( -0.249 -5.106 2.344) 5.624 2.597 ( -4.673 -0.550 0.201) 4.710 2.621 ( -4.588 -3.459 1.867) 6.042 2.694 ( 0.791 0.144 -5.196) 5.257 2.834 ( 2.569 -7.891 0.375) 8.307 2.954 ( 0.554 -5.139 -0.154) 5.172 2.958 ( -7.524 0.053 1.793) 7.734 3.055 ( -5.240 -0.890 1.197) 5.448 3.064 ( -0.659 -1.776 -1.384) 2.346 3.170 ( -5.666 4.346 0.253) 7.145 3.333 ( -4.213 -1.103 2.079) 4.825 3.434 ( -1.089 -4.863 0.776) 5.043 3.641 ( 1.895 2.792 8.776) 9.402 3.682 ( -0.693 7.515 4.378) 8.725 3.764 ( 0.532 1.679 -2.602) 3.142 3.882 ( -1.234 2.644 -0.158) 2.923 4.151 ( 1.203 10.520 -9.567) 14.270 4.175 ( 3.277 -3.648 -0.571) 4.936 4.374 ( 3.814 10.243 3.914) 11.610 4.408 ( -0.669 -2.475 -2.201) 3.379 4.484 ( 1.915 12.617 -1.529) 12.853 4.724 ( -2.301 -3.817 6.176) 7.616 4.806 ( 6.871 -3.617 -4.769) 9.113 4.850 ( 2.246 2.281 -0.967) 3.344 5.020 ( 6.230 -5.213 -6.154) 10.191 5.157 ( 1.368 -3.312 5.398) 6.479 5.272 ( 3.070 4.213 2.027) 5.593 5.463 ( 6.320 3.634 8.903) 11.507 5.543 ( 3.418 5.299 -2.558) 6.805 5.607 ( -1.754 7.379 -5.193) 9.192 5.731 ( 2.909 -3.569 -4.056) 6.136 5.979 ( 5.004 0.537 5.333) 7.333 6.074 ( 2.101 0.153 -1.909) 2.842 6.139 ( 7.968 -1.038 0.449) 8.048 6.175 ( 5.586 0.879 2.122) 6.040 6.242 ( 5.109 -2.123 -0.321) 5.542 6.306 ( 4.021 3.324 -2.663) 5.857 6.715 ( 3.634 2.353 2.559) 5.029 6.868 ( 13.841 5.835 1.395) 15.086 6.944 ( 7.797 2.786 -4.709) 9.525 7.000 ( 10.072 -0.765 0.476) 10.112 7.234 ( 1.482 4.146 3.094) 5.382 7.331 ( 1.453 3.253 2.221) 4.198 7.450 ( 6.455 4.814 -0.220) 8.055 7.569 ( 3.202 -0.812 -1.625) 3.682 7.678 ( -2.457 -0.205 -2.329) 3.392 7.715 ( 4.653 -3.868 -5.817) 8.394 7.794 ( -3.436 -2.656 -0.444) 4.365 7.851 ( 3.070 -0.954 2.395) 4.009 8.072 ( 4.358 -4.796 -1.092) 6.571 8.195 ( 5.185 -5.290 2.142) 7.711 8.406 ( -1.207 -6.158 0.548) 6.299 8.514 ( -1.609 0.340 1.500) 2.226 8.678 ( 0.473 6.256 2.983) 6.947 8.795 ( -1.369 -0.780 0.064) 1.577 8.968 ( -0.918 3.532 -4.156) 5.531 9.008 ( -1.661 0.867 0.280) 1.894 9.102 ( -5.443 -12.900 -0.952) 14.033 9.318 ( -7.139 -1.165 -5.873) 9.317 9.442 ( -4.058 -5.371 1.395) 6.874 9.537 ( -9.363 -1.718 4.124) 10.374 9.789 ( -2.188 -0.383 4.044) 4.614 9.951 ( 0.732 -3.544 2.135) 4.202 9.981 ( 2.106 1.287 -3.820) 4.548 10.020 ( -1.533 -1.934 -1.641) 2.964 11.008 ( 1.630 11.507 -0.236) 11.624 11.384 ( 0.706 3.839 -4.598) 6.032 11.798 ( 0.487 -7.783 4.060) 8.792 11.884 ( 4.649 -3.322 0.035) 5.714 12.267 ( -4.042 3.296 0.244) 5.222 12.284 ( -4.627 6.707 -0.022) 8.148 12.744 ( -1.975 -6.620 2.949) 7.511 13.006 ( 2.640 -2.200 -4.738) 5.853 13.284 ( 0.838 -3.397 2.725) 4.435 13.340 ( 0.280 -2.383 -3.692) 4.403 13.406 ( -2.371 1.321 -1.000) 2.892 13.448 ( 0.356 -2.589 1.036) 2.812 13.671 ( -1.965 6.978 3.095) 7.883 13.809 ( 4.675 1.187 -4.400) 6.529 14.185 ( -2.809 -2.953 7.950) 8.934 14.311 ( 3.564 3.388 1.537) 5.152 14.340 ( 6.694 0.734 -4.665) 8.192 14.520 ( -1.578 1.517 3.190) 3.869 14.700 ( 2.474 -0.965 -3.776) 4.616 14.766 ( 2.731 1.431 -1.153) 3.292 15.181 ( 4.268 -0.068 -0.395) 4.287 15.336 ( 0.575 -3.029 2.765) 4.141 15.487 ( -7.414 0.964 4.044) 8.500 15.516 ( -0.232 1.448 -5.356) 5.553 15.581 ( 1.641 -2.628 -0.066) 3.099 15.715 ( -3.081 -3.376 1.974) 4.979 15.857 ( -8.147 -2.733 -1.946) 8.811 15.897 ( -9.978 -5.429 -0.652) 11.378 21.094 ( -0.527 2.401 0.513) 2.511 21.136 ( -0.660 3.457 -0.579) 3.567 21.176 ( -2.424 0.912 2.794) 3.810 21.274 ( 0.347 0.769 -2.595) 2.729 24.573 ( -0.776 2.459 -0.097) 2.581 24.599 ( -0.412 2.876 -0.551) 2.957 24.747 ( -0.746 0.223 1.196) 1.427 24.774 ( 0.262 0.673 -0.547) 0.906 25.514 ( 3.709 -1.395 0.677) 4.020 25.705 ( 4.255 2.717 -3.325) 6.045 25.800 ( 4.919 -2.540 4.217) 6.959 25.977 ( 3.180 1.091 -1.031) 3.516 26.552 ( 4.704 1.816 3.952) 6.407 26.697 ( 3.791 -0.252 0.554) 3.840 26.801 ( 2.970 -0.085 0.036) 2.971 27.022 ( -6.933 0.163 7.274) 10.050 27.069 ( 6.137 -1.912 -7.583) 9.941 27.321 ( 0.751 8.503 -7.440) 11.323 27.535 ( -4.818 -4.807 1.722) 7.021 27.604 ( 4.571 0.223 -7.334) 8.645 28.027 ( -1.164 -0.729 6.664) 6.805 28.213 ( -2.764 5.854 5.339) 8.392 28.420 ( 0.933 -6.253 -0.562) 6.347 28.784 ( -1.577 0.848 2.875) 3.387 28.801 ( 1.057 2.616 0.445) 2.856 28.866 ( -4.063 1.570 -4.213) 6.060 29.272 ( 0.699 -8.609 3.184) 9.206 29.402 ( 2.217 -4.499 -3.570) 6.156 31.235 ( 1.475 -0.512 -0.613) 1.677 31.255 ( -0.906 -0.386 2.028) 2.254 31.357 ( -7.252 3.254 0.899) 8.000 31.452 ( -7.931 1.415 -3.871) 8.938 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.604 0.654 0.339) 1.765 1.719 ( 3.803 -4.497 -9.998) 11.603 2.071 ( -3.981 -12.887 2.392) 13.698 2.103 ( -1.790 -1.733 6.982) 7.414 2.221 ( -3.137 1.614 -1.692) 3.913 2.357 ( 6.625 -6.379 0.621) 9.218 2.424 ( -0.667 2.065 1.899) 2.884 2.519 ( -3.039 2.819 0.591) 4.187 2.559 ( 2.434 -1.299 0.728) 2.853 2.588 ( -3.826 1.362 -0.222) 4.067 2.714 ( 8.940 2.654 2.668) 9.700 2.789 ( -3.913 -1.108 2.996) 5.051 2.929 ( 4.029 -3.783 -2.182) 5.942 2.982 ( -0.389 -3.944 1.068) 4.104 3.041 ( -3.296 -3.377 -0.850) 4.795 3.106 ( 6.568 -4.182 -1.087) 7.862 3.138 ( 4.667 4.444 4.030) 7.601 3.259 ( -5.152 -5.630 2.527) 8.039 3.415 ( -1.056 -3.366 2.693) 4.438 3.649 ( -2.763 -0.365 -0.365) 2.810 3.682 ( -4.423 2.690 1.304) 5.338 3.784 ( -2.543 7.407 -1.841) 8.044 3.823 ( 1.364 4.138 0.324) 4.369 4.063 ( -0.021 7.353 -6.080) 9.541 4.273 ( 4.733 2.124 -1.184) 5.321 4.338 ( -2.539 -0.460 -2.203) 3.393 4.473 ( 2.875 9.439 1.548) 9.988 4.513 ( 0.349 7.959 -0.898) 8.017 4.705 ( -3.653 1.393 5.825) 7.015 4.847 ( 0.685 3.282 -2.524) 4.197 4.907 ( 4.521 -5.210 -3.040) 7.538 4.987 ( -2.779 -6.174 -3.539) 7.640 5.198 ( -0.705 1.942 2.794) 3.475 5.352 ( 2.169 1.722 4.746) 5.495 5.484 ( -5.664 -0.473 2.825) 6.347 5.573 ( 1.177 5.789 -4.187) 7.240 5.609 ( 2.374 3.284 -0.291) 4.063 5.736 ( 0.839 2.318 -1.508) 2.890 6.019 ( -2.280 -0.600 1.791) 2.960 6.105 ( 2.322 2.722 -1.565) 3.906 6.202 ( -0.284 2.316 0.974) 2.528 6.241 ( -2.927 -2.591 2.456) 4.617 6.275 ( 0.369 0.494 0.075) 0.621 6.396 ( 1.272 -3.511 -2.499) 4.493 6.789 ( 1.354 1.281 5.771) 6.064 6.981 ( 0.235 -0.616 -2.210) 2.306 7.007 ( -0.426 3.052 -0.340) 3.101 7.132 ( 0.706 3.779 -3.110) 4.945 7.231 ( -4.185 4.762 2.088) 6.675 7.298 ( -1.291 6.283 -1.159) 6.518 7.498 ( 0.724 5.526 0.463) 5.592 7.565 ( -2.460 0.400 -4.125) 4.819 7.633 ( 2.314 -0.877 0.834) 2.611 7.735 ( 0.738 -3.433 -4.002) 5.324 7.835 ( 3.808 -2.094 3.555) 5.615 7.919 ( 1.459 -2.820 0.297) 3.189 8.117 ( 0.114 -5.398 0.708) 5.445 8.257 ( 0.482 -4.636 -2.631) 5.353 8.379 ( -4.937 -7.348 4.493) 9.927 8.522 ( 5.133 -0.862 -2.794) 5.907 8.719 ( 0.036 5.895 5.123) 7.810 8.760 ( -1.860 -1.737 1.565) 2.987 8.946 ( 1.901 1.781 -3.230) 4.149 8.988 ( -2.691 -2.800 -0.489) 3.914 9.042 ( -0.235 -0.829 -0.914) 1.257 9.168 ( -0.476 -7.947 -6.867) 10.514 9.448 ( -0.851 -3.484 1.721) 3.978 9.455 ( 1.347 -3.203 2.593) 4.335 9.774 ( -2.745 1.176 4.478) 5.382 9.956 ( 0.349 -3.258 -1.178) 3.482 9.991 ( -0.050 -0.523 -0.102) 0.535 10.005 ( 1.227 -0.047 -2.304) 2.611 11.054 ( 2.214 9.426 2.693) 10.050 11.327 ( -1.177 5.606 -8.537) 10.281 11.822 ( -2.127 -8.241 5.534) 10.152 11.954 ( 2.798 -4.764 0.094) 5.526 12.225 ( -0.513 5.852 0.232) 5.879 12.233 ( -0.354 5.629 -0.526) 5.665 12.745 ( -0.551 -7.402 3.771) 8.326 13.002 ( 1.675 -1.393 -6.695) 7.041 13.287 ( -3.032 -1.989 0.623) 3.679 13.350 ( 3.070 0.040 -1.578) 3.452 13.392 ( 1.380 -0.584 0.856) 1.726 13.436 ( -1.066 -4.935 -0.693) 5.096 13.661 ( -2.127 6.789 3.759) 8.046 13.857 ( 4.367 2.593 -4.397) 6.718 14.172 ( -5.587 -2.349 8.025) 10.056 14.349 ( -3.260 5.369 2.443) 6.739 14.424 ( 3.871 1.307 -0.432) 4.108 14.483 ( -1.177 -1.123 -2.613) 3.078 14.715 ( 1.480 -1.016 -0.209) 1.807 14.805 ( 3.626 1.884 -3.957) 5.688 15.238 ( 1.014 -0.373 2.048) 2.316 15.320 ( -4.159 -1.119 2.063) 4.775 15.400 ( -4.235 1.418 -0.123) 4.468 15.536 ( 5.112 0.219 -3.259) 6.066 15.621 ( 2.055 -0.879 1.250) 2.561 15.675 ( -3.148 -3.695 -1.002) 4.956 15.753 ( -0.515 -7.004 0.649) 7.053 15.795 ( 1.479 -4.199 -1.055) 4.575 21.092 ( 0.003 2.005 0.241) 2.019 21.126 ( 0.129 3.300 -0.722) 3.380 21.158 ( -1.679 0.982 2.681) 3.312 21.272 ( 1.424 0.597 -2.102) 2.608 24.567 ( 0.056 2.511 0.157) 2.516 24.589 ( -0.012 2.903 -0.838) 3.022 24.745 ( -0.428 0.369 1.141) 1.274 24.778 ( 0.552 0.710 -0.267) 0.938 25.565 ( 0.743 -1.303 2.019) 2.515 25.701 ( -0.903 0.454 -4.516) 4.628 25.888 ( 0.509 -0.255 4.556) 4.592 26.001 ( -0.026 2.092 -1.194) 2.409 26.634 ( -0.496 0.215 5.703) 5.728 26.735 ( 0.363 -1.275 0.234) 1.346 26.823 ( -0.290 1.593 -0.365) 1.660 26.948 ( -6.656 1.503 5.533) 8.785 27.123 ( 5.719 -0.896 -8.190) 10.029 27.292 ( 2.571 5.244 -5.377) 7.938 27.457 ( -3.483 -2.589 -0.357) 4.355 27.649 ( 4.922 -1.061 -6.672) 8.359 28.065 ( -0.599 -0.255 8.545) 8.570 28.196 ( -2.636 4.478 3.526) 6.280 28.473 ( 2.838 -4.756 4.183) 6.941 28.743 ( -2.676 1.345 -3.498) 4.605 28.769 ( -3.021 2.348 -0.749) 3.898 28.848 ( 3.286 2.009 -0.920) 3.960 29.283 ( -1.982 -9.602 2.432) 10.101 29.416 ( 1.985 -4.554 -2.887) 5.745 31.240 ( -2.220 1.008 1.842) 3.056 31.260 ( -1.781 0.883 0.025) 1.988 31.287 ( 0.746 1.437 -0.752) 1.785 31.362 ( 2.906 -0.239 -2.815) 4.053 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -9.302 1.470 -2.128) 9.655 1.748 ( 2.329 2.100 -5.102) 5.989 1.971 ( -11.342 -0.774 3.426) 11.874 2.013 ( -6.375 -0.907 3.639) 7.396 2.145 ( -2.428 -4.088 -2.803) 5.520 2.364 ( -6.877 1.649 -1.102) 7.157 2.478 ( 4.008 -3.506 0.304) 5.334 2.513 ( 3.903 3.855 4.259) 6.945 2.598 ( 2.256 -4.375 0.221) 4.928 2.632 ( 2.563 -8.506 2.553) 9.244 2.758 ( 3.699 -2.963 -0.768) 4.801 2.843 ( -6.165 -0.372 -3.499) 7.098 2.986 ( 1.138 -11.136 -3.150) 11.629 2.993 ( 3.021 -4.951 2.040) 6.148 3.007 ( 1.445 -3.301 0.290) 3.615 3.162 ( 5.072 -0.483 -3.629) 6.255 3.212 ( -0.027 -6.899 1.592) 7.081 3.343 ( 10.158 2.584 5.433) 11.806 3.461 ( -1.080 -2.574 2.074) 3.478 3.575 ( -0.854 -1.870 -0.121) 2.059 3.612 ( 0.366 6.955 1.606) 7.147 3.727 ( -0.237 4.643 2.963) 5.513 3.897 ( 0.578 7.988 3.799) 8.864 4.046 ( 1.399 13.338 -4.150) 14.039 4.261 ( -3.688 0.703 -3.291) 4.993 4.331 ( 1.083 -2.985 0.458) 3.208 4.443 ( -3.262 11.830 -1.816) 12.405 4.536 ( 2.240 4.705 -2.708) 5.873 4.672 ( -3.489 1.124 2.860) 4.649 4.810 ( -5.653 2.387 0.104) 6.137 4.916 ( -0.551 -5.624 -5.829) 8.118 4.928 ( -0.618 -2.293 0.617) 2.454 5.189 ( -3.873 3.409 4.813) 7.056 5.355 ( -12.594 -0.251 5.000) 13.553 5.428 ( 2.331 1.687 4.530) 5.366 5.521 ( -1.775 -2.523 -4.845) 5.743 5.609 ( 0.555 8.402 -4.938) 9.762 5.752 ( -0.760 0.042 -0.958) 1.224 5.898 ( -11.697 4.173 2.059) 12.589 6.120 ( -6.228 -1.364 0.072) 6.376 6.138 ( -2.527 3.839 0.224) 4.602 6.169 ( -7.947 -3.722 2.306) 9.073 6.211 ( -4.808 0.226 -0.823) 4.883 6.305 ( -5.115 2.047 -2.173) 5.923 6.807 ( -9.737 0.952 1.817) 9.951 6.838 ( -9.327 2.783 2.061) 9.950 6.950 ( -4.453 1.833 -0.338) 4.827 6.997 ( -8.631 3.777 -4.500) 10.441 7.184 ( -3.696 2.362 4.778) 6.486 7.240 ( -5.010 6.365 -0.045) 8.100 7.449 ( -6.562 1.129 0.255) 6.664 7.583 ( 3.604 2.459 -2.593) 5.075 7.682 ( -0.884 -2.713 -2.631) 3.881 7.704 ( 2.721 -0.109 -1.392) 3.058 7.873 ( -2.248 -2.021 -1.100) 3.217 7.897 ( -1.388 -4.268 -0.539) 4.520 8.107 ( -3.001 -6.135 1.991) 7.114 8.157 ( -6.487 -6.513 -0.248) 9.196 8.381 ( 2.513 -4.448 1.772) 5.408 8.584 ( 1.063 1.358 0.794) 1.899 8.707 ( -3.061 1.403 4.326) 5.482 8.847 ( 8.563 0.668 -0.322) 8.595 8.932 ( -0.422 -8.431 -2.633) 8.842 8.982 ( -0.811 1.536 -2.032) 2.673 9.007 ( 2.814 5.744 0.791) 6.445 9.232 ( 8.825 -6.226 -6.396) 12.552 9.476 ( 4.048 -5.857 -0.973) 7.186 9.563 ( 4.981 -3.093 5.985) 8.379 9.770 ( -0.053 0.543 3.027) 3.076 9.950 ( -0.974 1.544 -1.485) 2.353 9.983 ( 0.811 -2.018 0.086) 2.177 10.020 ( 1.616 -0.888 -1.723) 2.524 11.114 ( 0.683 6.025 3.766) 7.138 11.235 ( -0.777 8.462 -8.021) 11.685 11.797 ( -4.147 -7.107 2.970) 8.748 11.980 ( -0.475 -5.352 0.582) 5.405 12.260 ( 3.412 3.279 0.351) 4.745 12.268 ( 4.984 6.238 -0.172) 7.986 12.780 ( 1.101 -7.386 4.314) 8.625 12.982 ( 1.815 -3.468 -6.169) 7.306 13.222 ( -3.672 -2.588 0.874) 4.577 13.374 ( -1.122 -0.894 -0.147) 1.442 13.429 ( 3.628 -0.465 -1.797) 4.075 13.446 ( 2.066 -0.804 -0.481) 2.269 13.646 ( -2.237 4.698 2.792) 5.905 13.907 ( 4.849 3.589 -5.416) 8.107 14.079 ( -10.567 1.368 6.040) 12.248 14.243 ( -7.229 3.291 2.285) 8.265 14.456 ( -0.771 -2.450 -3.384) 4.248 14.460 ( -1.395 0.946 3.724) 4.088 14.737 ( 0.715 1.044 -1.742) 2.154 14.842 ( 3.376 -0.590 -2.279) 4.115 15.228 ( -6.430 -0.844 -1.263) 6.607 15.243 ( -2.524 -1.421 3.153) 4.281 15.361 ( 1.505 2.345 0.959) 2.947 15.562 ( -1.462 -4.511 -1.326) 4.924 15.654 ( 3.963 -1.596 -0.034) 4.272 15.716 ( 5.820 -0.215 2.368) 6.287 15.828 ( 8.042 -3.940 -2.341) 9.256 15.907 ( 9.563 -4.400 -0.670) 10.548 21.096 ( 0.078 1.972 0.412) 2.016 21.129 ( 0.403 3.384 -0.057) 3.409 21.160 ( 0.243 1.559 1.647) 2.281 21.291 ( 2.159 0.580 -1.869) 2.914 24.576 ( 0.653 2.286 0.048) 2.378 24.588 ( 0.657 2.785 -0.647) 2.934 24.748 ( -0.169 0.418 0.859) 0.970 24.789 ( 0.790 0.612 -0.263) 1.033 25.569 ( -2.639 -1.083 3.103) 4.215 25.618 ( -4.367 0.038 -4.041) 5.950 25.882 ( -4.609 0.068 4.043) 6.131 25.953 ( -3.667 1.282 -2.582) 4.664 26.614 ( -6.053 -0.584 6.365) 8.803 26.719 ( -2.867 -1.002 0.931) 3.176 26.781 ( -3.868 2.365 -1.227) 4.697 26.848 ( -6.134 2.784 -1.070) 6.821 27.154 ( 4.185 1.502 -5.768) 7.283 27.337 ( -1.030 -1.200 5.778) 5.991 27.433 ( 6.564 0.147 -7.573) 10.023 27.676 ( 3.690 -2.730 -6.727) 8.144 28.130 ( 0.073 -0.257 7.658) 7.663 28.178 ( -1.928 2.448 4.407) 5.397 28.567 ( 2.719 -3.107 5.668) 7.012 28.650 ( -1.783 2.092 -7.104) 7.617 28.745 ( -0.789 1.864 2.520) 3.233 28.909 ( 4.417 2.318 -2.172) 5.441 29.235 ( -4.990 -10.553 2.178) 11.875 29.433 ( 2.096 -2.459 -2.467) 4.065 31.200 ( -1.906 0.432 0.264) 1.972 31.241 ( -0.315 -0.836 0.750) 1.167 31.336 ( 4.908 3.690 0.107) 6.142 31.476 ( 9.991 0.926 -2.714) 10.394 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -9.390 5.025 0.164) 10.651 1.602 ( -21.948 12.579 8.195) 26.592 1.733 ( -6.245 0.159 -9.329) 11.228 1.983 ( -0.393 1.333 -6.586) 6.731 2.126 ( -0.362 -7.427 2.496) 7.844 2.326 ( 2.783 -2.589 3.044) 4.870 2.413 ( -11.673 -1.544 -4.063) 12.456 2.481 ( -6.460 -1.106 -1.533) 6.731 2.599 ( 1.238 -4.258 3.616) 5.722 2.680 ( 1.997 -9.712 -2.689) 10.274 2.757 ( -4.220 -11.927 -2.206) 12.843 2.882 ( 5.407 -3.840 1.897) 6.898 2.952 ( 3.045 -3.613 1.427) 4.935 2.996 ( 0.826 -9.273 2.784) 9.717 3.101 ( 4.027 -3.906 -0.852) 5.674 3.254 ( 4.155 -0.308 -1.462) 4.415 3.300 ( 8.085 -2.824 2.435) 8.903 3.402 ( -2.776 0.307 1.503) 3.172 3.518 ( -0.405 -0.211 -5.043) 5.064 3.548 ( 2.037 -2.772 5.864) 6.798 3.751 ( 4.815 5.507 2.791) 7.830 3.816 ( 4.108 7.361 6.227) 10.480 3.883 ( 0.059 2.821 0.575) 2.879 4.043 ( -0.086 15.276 -1.537) 15.353 4.146 ( -5.393 1.984 -6.022) 8.323 4.264 ( -6.104 0.432 0.284) 6.125 4.428 ( -0.341 6.056 -0.307) 6.074 4.509 ( -1.563 5.305 -5.610) 7.878 4.618 ( -5.652 -4.441 2.268) 7.538 4.679 ( -7.144 2.664 -0.386) 7.635 4.822 ( -6.354 -5.702 -3.229) 9.128 4.885 ( -4.219 2.650 -0.377) 4.996 5.076 ( -11.969 -0.285 7.963) 14.379 5.183 ( -7.892 4.250 0.853) 9.004 5.412 ( -10.140 -0.113 0.177) 10.142 5.466 ( -5.154 -1.061 -3.749) 6.460 5.523 ( -9.351 3.081 1.660) 9.984 5.605 ( 0.550 5.457 -3.095) 6.297 5.809 ( -5.551 3.682 5.315) 8.522 5.905 ( -13.645 -2.903 2.366) 14.150 5.987 ( -11.196 -0.606 -0.471) 11.222 6.061 ( -4.204 -0.125 1.973) 4.646 6.147 ( -3.878 3.016 -1.934) 5.280 6.279 ( 2.372 4.854 -2.511) 5.958 6.521 ( -16.474 5.482 2.697) 17.570 6.645 ( -13.061 5.150 -1.564) 14.127 6.795 ( -9.657 1.107 -2.713) 10.092 6.847 ( -8.789 -0.779 -2.633) 9.208 7.062 ( -10.786 5.635 -0.617) 12.185 7.190 ( -3.907 0.835 7.688) 8.664 7.375 ( -0.381 -2.232 2.161) 3.130 7.538 ( -8.019 1.069 -6.587) 10.432 7.564 ( -6.666 -0.139 0.643) 6.698 7.705 ( -2.915 1.531 -0.414) 3.319 7.843 ( -0.111 -7.446 -3.004) 8.030 7.873 ( -1.103 -5.547 -1.790) 5.932 8.025 ( 0.231 -3.445 -1.500) 3.764 8.141 ( 0.686 -3.775 3.461) 5.168 8.468 ( 4.938 -3.687 1.884) 6.444 8.599 ( 0.175 2.424 1.665) 2.946 8.703 ( -0.010 2.820 2.292) 3.634 8.912 ( 2.323 -0.974 -5.698) 6.230 8.934 ( 0.225 -6.032 0.695) 6.076 9.042 ( 7.198 -1.648 -3.659) 8.241 9.105 ( 5.537 9.590 6.433) 12.807 9.319 ( 5.121 -5.192 -5.842) 9.344 9.550 ( 3.514 -4.064 -0.241) 5.378 9.691 ( 4.029 -7.058 4.950) 9.516 9.822 ( 0.997 1.480 2.389) 2.982 9.932 ( 1.152 1.677 1.272) 2.399 10.006 ( 1.251 0.481 -0.537) 1.444 10.066 ( 7.100 -3.204 -3.228) 8.432 11.086 ( -1.994 8.403 -4.589) 9.780 11.239 ( 2.136 4.951 2.997) 6.169 11.707 ( -6.892 -6.398 -0.521) 9.418 11.939 ( -4.200 -3.982 -0.197) 5.791 12.344 ( 4.948 1.916 0.872) 5.377 12.406 ( 9.841 4.925 -0.378) 11.012 12.853 ( 3.335 -8.681 3.862) 10.069 12.984 ( 3.187 -5.152 -4.795) 7.726 13.181 ( -2.264 -2.889 3.486) 5.062 13.342 ( -1.988 -3.159 0.021) 3.733 13.455 ( -0.364 1.809 -2.412) 3.037 13.483 ( 3.677 3.742 -3.100) 6.093 13.618 ( -2.475 1.975 1.380) 3.454 13.870 ( -6.616 6.981 -4.286) 10.530 13.986 ( 0.014 -0.384 2.879) 2.904 14.156 ( -4.314 1.842 2.413) 5.275 14.385 ( -4.359 -0.007 -2.227) 4.896 14.434 ( -4.062 1.051 3.128) 5.233 14.707 ( -2.080 -1.367 -1.514) 2.913 14.899 ( 3.548 -2.782 -0.830) 4.584 15.089 ( -6.474 0.124 -2.058) 6.794 15.225 ( -2.243 -3.389 4.423) 6.007 15.446 ( 5.802 4.196 1.348) 7.286 15.519 ( -1.113 -5.473 -1.436) 5.767 15.778 ( 7.635 0.152 1.898) 7.869 15.852 ( 7.054 -0.309 1.716) 7.266 15.973 ( 9.421 -2.222 -3.374) 10.251 16.099 ( 11.156 -4.820 -0.664) 12.171 21.103 ( 0.165 2.545 1.277) 2.852 21.141 ( 0.656 3.358 0.609) 3.475 21.191 ( 2.156 2.507 0.476) 3.341 21.318 ( 2.195 0.794 -1.968) 3.053 24.586 ( 0.691 2.284 -0.224) 2.397 24.610 ( 1.894 2.240 -0.310) 2.950 24.750 ( -0.302 0.305 0.556) 0.702 24.799 ( 0.534 0.387 -0.427) 0.786 25.483 ( -6.954 0.074 -1.930) 7.218 25.513 ( -6.188 -0.492 2.066) 6.542 25.789 ( -8.528 -1.238 4.087) 9.538 25.830 ( -6.280 -0.505 -5.019) 8.056 26.526 ( -8.323 -0.228 6.377) 10.488 26.638 ( -7.133 -0.399 2.442) 7.550 26.664 ( -7.556 1.577 -1.016) 7.785 26.708 ( -5.209 3.757 -8.646) 10.770 27.207 ( 4.537 2.154 -1.927) 5.379 27.307 ( -5.099 -2.856 5.192) 7.818 27.581 ( 12.680 -0.450 -6.356) 14.191 27.692 ( 2.979 -4.845 -4.783) 7.431 28.144 ( -1.539 0.923 2.790) 3.318 28.216 ( 0.032 -2.940 6.216) 6.876 28.592 ( 1.617 4.842 -6.872) 8.561 28.638 ( 0.155 -0.692 6.588) 6.626 28.791 ( 2.809 0.568 4.765) 5.561 28.958 ( 2.026 -1.278 -4.026) 4.685 29.151 ( -4.894 -8.519 3.374) 10.388 29.462 ( 3.636 1.423 -3.157) 5.021 31.180 ( -0.304 0.051 -0.153) 0.344 31.265 ( 1.551 -2.746 2.346) 3.930 31.462 ( 7.925 6.765 1.230) 10.491 31.672 ( 13.903 4.063 -3.388) 14.875 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -12.139 13.325 1.729) 18.108 1.208 ( -22.118 13.471 7.396) 26.932 1.531 ( -15.187 3.526 -1.967) 15.715 1.767 ( -14.165 -3.057 -9.843) 17.518 2.086 ( -1.542 5.147 -6.588) 8.501 2.257 ( -3.808 -13.119 4.204) 14.292 2.388 ( -4.179 -10.918 -0.413) 11.698 2.469 ( 3.575 -1.581 8.057) 8.955 2.604 ( -1.152 -5.235 0.619) 5.396 2.650 ( -3.977 -14.153 -0.280) 14.704 2.723 ( 3.966 -8.646 2.579) 9.855 2.878 ( -6.383 -7.466 -1.589) 9.950 3.034 ( -0.545 0.119 6.010) 6.035 3.067 ( 5.186 0.218 -1.284) 5.347 3.137 ( 0.552 -2.167 -0.012) 2.236 3.264 ( -2.246 -1.837 0.918) 3.044 3.381 ( -1.691 -1.893 4.661) 5.308 3.426 ( -0.480 -5.434 -5.188) 7.528 3.473 ( -0.214 4.830 -0.500) 4.860 3.598 ( 3.340 -4.122 3.570) 6.395 3.796 ( 5.088 4.160 -1.890) 6.838 3.844 ( -1.088 4.466 -8.070) 9.287 3.964 ( -4.384 10.524 -4.240) 12.163 3.997 ( -4.001 4.825 -3.824) 7.342 4.018 ( 3.890 -2.728 5.852) 7.538 4.178 ( -5.663 5.721 4.901) 9.425 4.345 ( -7.561 5.852 -4.628) 10.622 4.396 ( -6.732 -0.544 -1.776) 6.984 4.471 ( -8.040 -2.071 3.399) 8.971 4.601 ( -0.582 2.661 -4.344) 5.127 4.659 ( -8.197 -2.807 -2.519) 9.023 4.800 ( -5.481 -0.136 0.625) 5.518 4.960 ( -6.353 1.104 1.401) 6.598 5.024 ( -9.425 1.051 1.948) 9.681 5.152 ( -12.187 7.020 -0.639) 14.079 5.283 ( -7.074 -0.188 3.601) 7.940 5.463 ( -3.179 2.562 -3.104) 5.129 5.605 ( -11.873 -1.173 -2.167) 12.126 5.642 ( -0.851 1.112 0.045) 1.401 5.741 ( -8.753 0.090 9.479) 12.903 5.873 ( -4.878 2.296 5.666) 7.822 6.002 ( -6.677 2.424 1.006) 7.174 6.057 ( -2.629 -3.372 1.538) 4.544 6.178 ( -13.889 1.203 -3.452) 14.362 6.273 ( -9.027 4.333 1.860) 10.184 6.532 ( 2.742 11.331 -1.890) 11.810 6.609 ( -8.813 -0.407 -1.464) 8.943 6.637 ( -9.845 -0.141 1.513) 9.961 6.879 ( -7.437 1.611 -0.411) 7.620 7.115 ( -6.573 3.292 -0.325) 7.358 7.318 ( -8.326 0.223 -5.217) 9.827 7.364 ( -6.353 -5.961 -0.138) 8.713 7.469 ( -7.582 -0.597 1.874) 7.833 7.606 ( -6.197 1.090 3.164) 7.043 7.762 ( -1.884 -9.984 -5.601) 11.602 7.896 ( 5.300 -6.034 -1.262) 8.130 8.101 ( 8.012 2.556 -4.270) 9.432 8.209 ( 3.284 -0.618 2.757) 4.332 8.562 ( 2.557 -4.204 1.011) 5.023 8.618 ( 1.742 3.683 0.049) 4.074 8.736 ( 1.844 4.315 0.991) 4.796 8.911 ( 2.212 2.174 -5.096) 5.965 8.968 ( 2.137 -6.819 1.786) 7.366 9.093 ( 1.695 0.952 -0.347) 1.975 9.250 ( 5.002 8.472 -5.464) 11.254 9.373 ( 2.868 -9.258 8.232) 12.717 9.580 ( -0.251 1.692 0.892) 1.929 9.777 ( 1.438 -8.534 0.550) 8.671 9.814 ( -2.611 5.092 4.016) 6.991 9.962 ( 0.900 -0.240 3.489) 3.611 10.097 ( 8.595 -5.038 -0.291) 9.967 10.236 ( 13.824 -0.361 -5.723) 14.966 11.018 ( -1.967 7.132 -4.303) 8.559 11.314 ( 2.552 3.132 4.826) 6.294 11.530 ( -10.471 -4.224 -3.324) 11.770 11.827 ( -7.118 -2.399 -1.071) 7.587 12.445 ( 4.742 0.287 2.056) 5.176 12.607 ( 12.197 4.626 -1.593) 13.141 12.911 ( 2.681 -7.363 -6.165) 9.971 13.060 ( 6.381 -5.996 2.673) 9.155 13.200 ( -0.488 -2.460 7.803) 8.196 13.299 ( -3.103 -3.714 0.661) 4.884 13.390 ( -3.051 3.512 -5.004) 6.833 13.509 ( 1.967 5.070 -4.503) 7.061 13.582 ( -1.591 -1.059 0.042) 1.912 13.752 ( -3.791 7.453 0.970) 8.418 13.997 ( -1.404 -2.605 0.534) 3.008 14.115 ( -1.537 2.205 0.162) 2.693 14.284 ( -4.337 5.164 -1.022) 6.820 14.370 ( -3.810 0.480 0.357) 3.857 14.654 ( -3.841 -2.997 2.076) 5.296 14.906 ( -2.585 -5.103 -3.271) 6.589 15.013 ( 1.314 -0.730 -1.188) 1.916 15.238 ( -0.786 -6.487 6.771) 9.410 15.499 ( 0.640 0.438 0.455) 0.899 15.584 ( 6.878 1.763 0.512) 7.119 15.924 ( 6.770 4.955 -0.339) 8.396 15.994 ( 7.208 -0.792 -0.128) 7.253 16.120 ( 8.353 -4.712 -0.095) 9.590 16.284 ( 9.004 -5.135 -0.903) 10.404 21.123 ( 0.477 3.695 2.456) 4.463 21.164 ( 1.272 3.124 1.155) 3.566 21.240 ( 2.851 3.502 -0.197) 4.520 21.341 ( 1.896 1.381 -1.955) 3.054 24.605 ( 1.358 2.064 0.541) 2.529 24.639 ( 1.445 1.799 -1.148) 2.577 24.740 ( -1.239 -0.515 -0.195) 1.355 24.805 ( 0.654 0.546 -0.197) 0.874 25.335 ( -7.626 0.610 -1.270) 7.755 25.387 ( -8.027 0.143 0.651) 8.054 25.614 ( -11.227 -3.507 -3.772) 12.352 25.670 ( -8.630 -2.409 -0.031) 8.960 26.417 ( -8.171 0.142 5.898) 10.078 26.491 ( -8.613 2.162 -6.449) 10.975 26.511 ( -8.098 -0.584 1.768) 8.309 26.532 ( -7.015 1.826 -5.556) 9.133 27.236 ( -4.663 -3.527 3.497) 6.813 27.286 ( 2.925 2.373 0.711) 3.833 27.701 ( 1.141 -7.615 -0.376) 7.709 27.770 ( 11.955 -0.890 -8.946) 14.958 28.139 ( -1.481 -0.550 4.095) 4.389 28.253 ( 0.688 -5.461 3.018) 6.278 28.588 ( 3.052 3.045 -8.293) 9.347 28.711 ( 1.671 5.793 9.639) 11.370 28.855 ( -6.221 -12.335 -2.473) 14.034 28.904 ( 1.620 -0.086 4.780) 5.047 29.158 ( 2.016 0.509 2.627) 3.351 29.526 ( 7.440 5.746 -7.033) 11.740 31.185 ( 0.653 -0.021 0.470) 0.804 31.328 ( 2.304 -5.478 4.605) 7.518 31.636 ( 8.724 9.793 4.080) 13.736 31.956 ( 20.037 11.043 -1.785) 22.948 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -16.144 17.079 8.542) 25.006 0.902 ( -30.122 6.278 9.551) 32.217 1.197 ( -14.128 20.891 26.334) 36.463 1.564 ( -0.005 -7.898 -14.419) 16.441 1.970 ( -4.733 3.783 -13.827) 15.096 2.173 ( -5.765 -19.724 -0.773) 20.564 2.270 ( -7.375 -12.271 -1.691) 14.417 2.504 ( -1.571 -7.914 6.138) 10.138 2.560 ( -5.698 -4.983 -0.886) 7.621 2.650 ( -1.549 -3.830 3.150) 5.195 2.705 ( -4.377 -11.274 5.028) 13.097 2.885 ( 4.736 4.694 5.986) 8.960 3.038 ( -2.543 -1.670 2.773) 4.116 3.112 ( -1.972 -0.555 1.432) 2.499 3.127 ( 3.358 1.231 -2.155) 4.175 3.236 ( -1.263 0.239 -4.560) 4.737 3.326 ( -8.497 1.450 -2.865) 9.083 3.383 ( -3.956 -2.961 3.082) 5.824 3.412 ( 1.498 -5.626 -3.267) 6.676 3.620 ( 3.559 3.534 -8.182) 9.597 3.779 ( -3.873 5.141 -3.161) 7.171 3.865 ( -6.720 0.742 -2.559) 7.229 3.873 ( 3.924 7.741 -4.071) 9.586 3.946 ( 3.582 2.228 4.596) 6.238 4.066 ( -5.380 -3.433 0.689) 6.419 4.135 ( -0.517 6.516 4.797) 8.108 4.171 ( -3.373 1.628 -6.057) 7.122 4.269 ( -3.490 -4.019 -0.539) 5.350 4.421 ( -3.003 3.566 -4.750) 6.655 4.483 ( -4.076 -3.023 0.263) 5.081 4.584 ( -1.684 3.388 -1.770) 4.177 4.676 ( -5.435 -1.387 -2.922) 6.325 4.815 ( -10.494 -7.366 -1.414) 12.899 4.892 ( -2.451 5.234 -1.507) 5.973 5.035 ( -4.315 6.798 3.715) 8.868 5.237 ( -2.307 -0.628 -6.091) 6.543 5.346 ( -11.376 0.795 0.289) 11.407 5.411 ( 0.585 2.210 2.277) 3.226 5.585 ( -5.404 -0.416 2.035) 5.789 5.762 ( -1.733 2.117 -0.022) 2.736 5.820 ( 0.073 -1.127 10.626) 10.686 5.844 ( -9.204 -0.682 -2.600) 9.588 5.866 ( -11.042 -2.599 -2.955) 11.723 6.114 ( -4.178 -7.860 14.301) 16.845 6.262 ( 5.178 1.997 7.505) 9.334 6.422 ( -6.126 0.492 -5.450) 8.214 6.491 ( -8.226 2.441 6.377) 10.691 6.579 ( -8.874 3.397 1.472) 9.615 6.798 ( 0.871 -0.013 1.247) 1.521 7.033 ( -0.966 4.526 -0.044) 4.628 7.079 ( -10.576 -4.045 -1.782) 11.462 7.283 ( 0.318 2.263 -1.114) 2.542 7.316 ( -8.824 -0.956 -0.865) 8.918 7.476 ( -4.724 -0.746 -2.931) 5.609 7.726 ( 1.124 -6.888 -6.153) 9.304 8.019 ( 6.857 -3.375 -2.669) 8.095 8.226 ( 8.394 2.807 -3.772) 9.622 8.274 ( 1.612 1.940 1.647) 3.012 8.559 ( 0.187 2.649 -4.347) 5.094 8.670 ( 1.338 3.089 3.122) 4.591 8.755 ( -0.374 4.184 -1.007) 4.320 8.930 ( 3.290 2.963 -3.228) 5.479 9.012 ( 2.628 -2.819 -1.201) 4.037 9.157 ( 2.767 -1.379 7.119) 7.761 9.233 ( -0.220 2.982 -3.381) 4.514 9.484 ( -1.214 -8.534 9.290) 12.673 9.577 ( 0.157 6.451 -0.898) 6.515 9.672 ( -9.813 -4.581 -2.934) 11.220 9.833 ( 0.203 1.580 3.125) 3.507 10.101 ( 8.199 -1.506 6.485) 10.562 10.270 ( 9.912 -7.987 -1.129) 12.780 10.437 ( 12.877 0.388 -7.543) 14.929 10.935 ( -3.625 6.132 -2.119) 7.432 11.292 ( -11.524 0.368 -3.920) 12.178 11.400 ( 3.183 2.486 1.937) 4.479 11.681 ( -7.228 -1.341 -1.297) 7.465 12.554 ( 3.709 -3.561 5.838) 7.779 12.810 ( 10.596 4.232 -0.608) 11.426 12.902 ( 4.097 -1.468 -9.523) 10.470 13.215 ( 3.452 -3.648 2.876) 5.788 13.238 ( 2.708 -1.378 3.234) 4.438 13.247 ( -2.847 -2.828 2.602) 4.783 13.328 ( 0.854 5.367 -3.566) 6.500 13.489 ( -0.431 -0.400 -1.868) 1.958 13.576 ( 0.953 -3.659 0.537) 3.819 13.723 ( -3.152 6.448 4.063) 8.247 13.939 ( -5.613 -2.743 3.133) 6.989 14.079 ( -0.215 3.195 -4.569) 5.579 14.240 ( 0.527 8.671 -1.630) 8.839 14.311 ( -1.734 0.306 -2.170) 2.795 14.601 ( -4.831 -2.683 6.100) 8.230 14.840 ( -2.573 -6.444 1.087) 7.024 15.041 ( 3.619 -3.817 -7.695) 9.320 15.284 ( -1.081 -10.420 6.311) 12.230 15.560 ( 4.724 -2.007 3.371) 6.140 15.693 ( 4.462 4.797 -1.168) 6.655 16.011 ( 4.617 6.382 -4.565) 9.104 16.089 ( 3.448 0.121 -3.374) 4.826 16.275 ( 6.172 -7.223 3.842) 10.248 16.406 ( 4.763 -4.572 -0.204) 6.606 21.149 ( 0.074 4.593 2.027) 5.021 21.212 ( 2.181 1.799 2.419) 3.721 21.288 ( 2.468 4.462 -0.276) 5.106 21.364 ( 2.081 2.621 -0.915) 3.470 24.636 ( 0.874 1.002 -0.080) 1.332 24.648 ( 0.827 1.971 0.313) 2.161 24.682 ( -4.205 -0.900 -1.446) 4.537 24.821 ( 0.729 1.613 -1.711) 2.461 25.178 ( -7.147 0.665 -1.736) 7.384 25.269 ( -3.733 0.579 -2.420) 4.486 25.350 ( -10.988 -1.401 -3.013) 11.479 25.502 ( -10.570 -2.590 3.049) 11.302 26.271 ( -7.825 3.222 -5.328) 10.000 26.330 ( -5.698 -0.052 4.228) 7.095 26.365 ( -5.997 -0.804 -1.452) 6.222 26.410 ( -5.051 -0.224 1.248) 5.208 27.174 ( -5.632 -3.603 6.201) 9.118 27.336 ( 2.044 2.298 -0.894) 3.202 27.704 ( -1.056 -8.804 1.201) 8.948 27.867 ( 5.372 -2.441 -9.191) 10.922 28.171 ( 0.599 -0.299 6.577) 6.611 28.299 ( 2.266 -4.205 2.157) 5.241 28.507 ( -7.521 -0.137 -8.170) 11.105 28.710 ( -1.060 -6.773 -5.146) 8.572 28.831 ( 1.275 3.181 11.205) 11.718 28.985 ( 1.423 0.488 4.482) 4.728 29.212 ( 1.616 2.554 1.208) 3.255 29.605 ( 9.570 7.712 -17.745) 21.586 31.208 ( 0.867 -0.098 1.872) 2.065 31.401 ( 1.553 -9.273 3.133) 9.911 31.849 ( 7.354 8.838 12.750) 17.168 32.420 ( 30.663 13.777 -2.667) 33.722 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.415 11.733 16.761) 20.464 1.047 ( 0.019 15.179 3.276) 15.529 1.363 ( 3.427 -8.148 -2.234) 9.118 1.441 ( 2.054 -5.483 -7.503) 9.517 1.658 ( 1.217 -8.169 -5.632) 9.997 1.782 ( -1.905 -17.842 -8.570) 19.885 2.071 ( 2.948 1.837 17.804) 18.139 2.344 ( -0.307 -12.115 11.868) 16.962 2.488 ( -10.066 5.972 6.611) 13.442 2.612 ( 3.062 -4.757 9.092) 10.708 2.657 ( 0.949 2.084 -5.422) 5.885 2.868 ( -0.912 -5.816 -6.753) 8.959 2.942 ( -1.569 -2.195 -2.592) 3.742 3.033 ( -2.277 -0.115 -5.481) 5.937 3.169 ( 2.003 5.522 2.176) 6.264 3.309 ( -1.289 2.849 -0.303) 3.142 3.337 ( 2.175 3.393 2.441) 4.712 3.360 ( 1.300 0.851 -2.746) 3.155 3.464 ( 3.534 5.010 2.823) 6.750 3.607 ( -5.278 -1.190 -6.119) 8.167 3.807 ( -0.760 -3.318 3.125) 4.621 3.846 ( 5.201 2.849 -1.659) 6.158 3.936 ( -1.557 7.280 -2.810) 7.958 4.004 ( 2.456 -0.768 0.574) 2.636 4.066 ( -5.092 7.105 -6.713) 11.022 4.121 ( 6.631 -9.328 7.056) 13.445 4.206 ( 1.032 1.533 -0.354) 1.881 4.250 ( 1.165 5.056 -0.070) 5.189 4.335 ( -7.693 -1.576 -2.622) 8.279 4.427 ( 1.475 -1.618 3.360) 4.010 4.459 ( -0.735 -2.487 -6.339) 6.849 4.635 ( 2.288 -2.144 -2.755) 4.174 4.646 ( -1.981 6.836 1.498) 7.274 4.898 ( -8.285 -1.125 -1.724) 8.537 5.007 ( 2.836 1.548 -3.661) 4.883 5.094 ( 0.111 -2.548 -12.448) 12.707 5.331 ( -0.619 4.675 4.844) 6.761 5.465 ( 2.347 2.115 0.628) 3.221 5.516 ( -5.768 -2.016 -0.353) 6.120 5.608 ( 2.098 -1.177 -0.385) 2.436 5.737 ( 0.507 2.316 3.763) 4.448 5.850 ( 2.036 2.168 1.681) 3.417 5.918 ( 1.060 -1.546 5.081) 5.415 6.011 ( 0.336 -6.778 8.983) 11.258 6.363 ( -3.741 8.786 0.175) 9.551 6.473 ( -1.307 6.700 4.835) 8.365 6.556 ( -0.588 6.372 -3.546) 7.316 6.617 ( 8.247 5.171 3.079) 10.209 6.841 ( 1.205 -0.699 4.782) 4.981 6.960 ( 1.255 -5.858 3.541) 6.959 7.087 ( 1.148 -1.848 -1.001) 2.395 7.120 ( -2.126 -2.735 -4.396) 5.597 7.335 ( 0.250 4.581 -1.707) 4.895 7.441 ( -2.972 -1.580 -3.440) 4.813 7.650 ( 3.195 -1.052 1.769) 3.801 7.883 ( -1.065 -8.339 -7.828) 11.488 8.324 ( -2.938 6.611 4.165) 8.348 8.509 ( 6.482 4.419 -1.524) 7.991 8.558 ( 1.071 -0.506 -2.469) 2.739 8.685 ( -1.380 -2.193 -1.457) 2.972 8.778 ( -5.889 3.320 1.757) 6.985 9.009 ( 0.430 -4.960 0.048) 4.979 9.106 ( -3.541 9.006 -6.015) 11.394 9.148 ( 2.278 -4.051 -2.949) 5.504 9.211 ( 3.020 -3.122 6.318) 7.667 9.365 ( 0.120 -0.983 1.064) 1.453 9.413 ( 0.097 -6.882 1.947) 7.152 9.559 ( 1.187 -7.900 -7.808) 11.170 9.872 ( -4.557 3.915 11.614) 13.076 10.207 ( -2.344 -8.918 9.323) 13.113 10.305 ( 2.270 7.970 -2.096) 8.548 10.577 ( 4.837 -3.330 -4.061) 7.140 11.034 ( -0.628 6.305 1.158) 6.441 11.129 ( -0.799 1.820 -2.891) 3.509 11.492 ( -1.191 0.753 1.571) 2.111 11.543 ( 0.653 -2.054 -1.307) 2.521 12.606 ( 1.430 2.811 3.048) 4.386 12.846 ( 4.217 -4.735 -7.892) 10.123 12.990 ( -0.107 0.304 0.205) 0.382 13.081 ( -1.372 -5.596 -2.388) 6.237 13.244 ( -1.262 0.294 2.249) 2.596 13.277 ( -7.612 -0.646 -2.418) 8.013 13.349 ( 2.144 1.162 2.022) 3.168 13.473 ( 2.364 -0.167 -2.015) 3.111 13.544 ( -7.745 -5.982 2.733) 10.160 13.620 ( 9.319 -4.320 3.711) 10.921 13.950 ( -3.764 5.874 3.541) 7.824 14.153 ( 3.576 -0.862 -4.642) 5.923 14.339 ( 1.319 6.843 -4.424) 8.255 14.387 ( 3.534 4.126 -4.856) 7.287 14.529 ( -1.559 -2.363 4.256) 5.112 14.708 ( -2.224 -5.814 0.911) 6.291 14.949 ( -1.975 1.109 0.350) 2.292 15.139 ( -0.095 -3.979 -1.286) 4.182 15.553 ( 1.076 -3.860 4.104) 5.736 15.821 ( -0.082 -10.404 -4.838) 11.474 15.942 ( -1.833 6.840 -1.883) 7.328 16.120 ( -1.627 3.356 -7.871) 8.710 16.303 ( 1.382 -1.266 5.293) 5.615 16.393 ( 1.098 -3.699 1.098) 4.011 21.227 ( -1.194 3.132 2.246) 4.035 21.263 ( -0.938 1.105 2.623) 2.996 21.421 ( 0.953 4.470 -1.426) 4.788 21.446 ( 0.245 3.120 -1.163) 3.339 24.668 ( 1.704 0.405 1.962) 2.630 24.673 ( 1.661 0.536 1.218) 2.128 24.707 ( -1.016 2.641 0.172) 2.835 24.786 ( -1.236 -1.012 -2.299) 2.799 25.136 ( -0.400 0.334 0.684) 0.860 25.180 ( 1.304 -1.309 -1.286) 2.251 25.341 ( -1.804 -0.438 1.058) 2.136 25.354 ( 3.696 -0.927 0.504) 3.843 26.245 ( -2.496 1.348 -0.023) 2.837 26.268 ( 1.310 1.004 -0.860) 1.861 26.320 ( 1.728 -0.313 1.854) 2.554 26.364 ( 1.644 -0.909 0.227) 1.893 27.160 ( -3.248 4.309 8.601) 10.153 27.361 ( -0.057 -2.364 1.665) 2.892 27.619 ( -0.203 0.252 -0.555) 0.642 27.775 ( 1.239 -4.507 -8.945) 10.093 28.258 ( -3.072 0.173 12.295) 12.674 28.287 ( -0.196 -2.743 0.455) 2.787 28.387 ( 0.435 5.547 -4.637) 7.243 28.612 ( 1.890 -5.429 -2.465) 6.255 28.964 ( -1.596 3.378 4.243) 5.653 29.016 ( -2.151 0.235 3.224) 3.883 29.321 ( 0.666 6.581 -2.937) 7.237 29.588 ( 2.951 -4.415 -14.944) 15.860 31.243 ( 0.155 0.717 2.033) 2.162 31.300 ( -0.705 -3.303 1.193) 3.582 32.204 ( -0.464 10.740 8.636) 13.790 32.615 ( -0.668 -8.317 -9.693) 12.790 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 15.724 14.114 2.326) 21.257 1.340 ( 21.141 3.958 14.983) 26.213 1.462 ( 11.290 -2.989 -4.752) 12.609 1.536 ( 15.302 -5.028 -12.961) 20.674 1.722 ( 2.881 -16.381 -6.240) 17.765 1.812 ( 12.539 -13.000 -0.668) 18.074 2.298 ( 0.656 4.099 25.413) 25.750 2.353 ( -4.323 3.302 0.913) 5.516 2.432 ( 2.794 -5.004 6.949) 9.007 2.578 ( -4.648 -2.722 -8.372) 9.955 2.694 ( 0.010 -8.296 5.201) 9.792 2.817 ( 0.156 4.025 -3.047) 5.050 2.876 ( -0.137 -7.670 -2.085) 7.949 3.001 ( 0.761 0.018 -5.140) 5.196 3.192 ( -4.014 4.649 -3.514) 7.076 3.238 ( -5.737 -0.926 0.038) 5.811 3.311 ( -0.504 2.287 1.472) 2.766 3.414 ( 1.738 0.571 2.200) 2.862 3.513 ( -1.033 1.041 -0.062) 1.468 3.603 ( 7.560 3.189 -0.050) 8.205 3.807 ( -2.938 2.964 -4.898) 6.434 3.869 ( 1.404 2.292 0.888) 2.831 3.935 ( 0.969 1.544 -0.961) 2.061 4.019 ( 3.779 1.080 1.302) 4.140 4.089 ( 4.084 1.905 -0.303) 4.517 4.183 ( 0.679 -0.175 -1.730) 1.867 4.280 ( 8.638 -0.083 -1.023) 8.699 4.305 ( 3.015 -1.467 2.124) 3.969 4.372 ( 9.733 1.364 -0.332) 9.834 4.427 ( 5.051 -4.703 -2.234) 7.254 4.535 ( 7.720 6.128 -0.854) 9.894 4.652 ( 4.331 5.111 -4.816) 8.251 4.712 ( 3.750 -4.176 5.295) 7.716 4.794 ( -0.929 -0.609 -0.290) 1.148 5.036 ( 7.717 3.588 -6.346) 10.616 5.163 ( 10.170 -1.535 -1.970) 10.473 5.408 ( 5.876 1.740 2.621) 6.665 5.473 ( 0.830 -1.558 2.556) 3.106 5.595 ( 8.606 5.690 -0.650) 10.337 5.728 ( 9.469 -2.071 1.808) 9.860 5.798 ( 1.134 5.030 1.168) 5.287 5.930 ( 7.226 1.749 -1.228) 7.535 6.000 ( -2.426 -1.430 -1.239) 3.077 6.059 ( 7.692 -5.676 6.693) 11.670 6.366 ( 0.168 8.386 6.217) 10.440 6.518 ( 5.598 2.951 -0.369) 6.339 6.584 ( 4.514 5.650 0.765) 7.272 6.739 ( 3.766 1.727 -3.590) 5.482 6.933 ( 5.297 3.178 7.722) 9.889 7.038 ( 0.392 -3.430 -2.754) 4.416 7.077 ( 2.263 -1.990 -4.572) 5.476 7.145 ( 9.592 -2.437 -1.599) 10.025 7.351 ( -0.516 0.252 -3.177) 3.229 7.429 ( 7.244 0.006 1.857) 7.479 7.703 ( -0.596 -4.467 2.940) 5.381 7.766 ( -3.300 -4.279 -8.330) 9.929 8.261 ( -5.753 9.233 2.728) 11.216 8.474 ( -8.593 2.482 -0.987) 8.999 8.531 ( -4.354 -3.866 -1.046) 5.916 8.666 ( -0.865 1.283 2.595) 3.022 8.721 ( 0.665 -1.559 -2.213) 2.788 8.900 ( -6.808 -0.937 -1.299) 6.994 8.986 ( -3.683 -2.466 -1.037) 4.552 9.219 ( 0.503 -2.147 -1.665) 2.763 9.279 ( -4.397 1.229 4.306) 6.276 9.407 ( 10.884 -5.357 -4.855) 13.066 9.442 ( -0.377 -1.617 6.708) 6.911 9.612 ( 8.354 -6.628 -6.117) 12.293 9.851 ( -6.278 1.900 9.542) 11.579 10.152 ( -10.863 -7.129 8.871) 15.733 10.261 ( -4.293 5.860 -2.123) 7.568 10.447 ( -11.695 -0.102 -7.149) 13.707 11.110 ( 5.718 5.312 2.427) 8.173 11.202 ( 8.479 4.549 -2.493) 9.940 11.471 ( 0.530 -0.816 1.163) 1.516 11.608 ( 4.765 -2.457 -1.252) 5.505 12.636 ( -1.229 3.273 3.471) 4.926 12.812 ( -0.802 -1.931 -10.403) 10.611 12.893 ( -13.404 0.231 -3.126) 13.765 12.963 ( -6.410 -2.772 2.349) 7.369 13.170 ( -5.253 -3.207 4.329) 7.524 13.176 ( 0.439 -2.793 1.907) 3.411 13.416 ( 2.708 -2.177 -0.940) 3.599 13.478 ( -0.028 -2.521 1.284) 2.830 13.565 ( 5.548 0.784 -1.333) 5.760 13.822 ( 7.638 -7.368 2.153) 10.829 13.910 ( -2.042 5.350 1.465) 5.911 14.194 ( 3.702 -3.264 -2.903) 5.726 14.328 ( 1.332 6.844 -4.536) 8.318 14.440 ( 4.719 4.433 -2.773) 7.044 14.538 ( 0.265 -3.124 1.415) 3.440 14.681 ( -1.980 -3.845 2.114) 4.814 14.916 ( -0.705 6.107 1.403) 6.305 15.145 ( 2.111 -3.268 -1.300) 4.102 15.573 ( -3.689 -5.660 4.851) 8.317 15.743 ( -2.522 -13.211 -5.082) 14.377 15.898 ( -3.990 8.664 3.843) 10.283 16.006 ( -4.567 4.950 -6.659) 9.471 16.308 ( -4.353 -1.871 2.829) 5.518 16.359 ( -4.477 -2.978 -0.856) 5.445 21.213 ( -2.116 3.493 2.374) 4.723 21.254 ( -2.014 1.489 2.598) 3.609 21.398 ( -1.562 3.633 -1.907) 4.391 21.417 ( -2.423 3.262 -0.999) 4.185 24.672 ( -1.041 2.706 -0.562) 2.953 24.712 ( 0.372 0.665 0.629) 0.988 24.723 ( 2.078 0.294 0.464) 2.150 24.764 ( -0.168 -0.737 -0.781) 1.086 25.189 ( 5.773 1.334 -0.093) 5.926 25.270 ( 8.896 -0.448 -2.006) 9.131 25.344 ( 2.999 0.393 0.384) 3.049 25.505 ( 9.705 -7.038 -0.280) 11.992 26.256 ( 3.514 2.398 0.240) 4.261 26.329 ( 5.014 -1.115 -0.163) 5.139 26.420 ( 7.244 0.353 0.525) 7.272 26.508 ( 13.957 -4.105 -2.369) 14.740 27.176 ( -2.715 5.245 10.218) 11.802 27.371 ( 0.037 -0.884 1.005) 1.339 27.608 ( -0.762 -1.409 0.236) 1.619 27.723 ( 0.185 -4.447 -8.060) 9.207 28.195 ( -5.797 6.084 -1.144) 8.481 28.285 ( -4.085 -0.111 9.930) 10.738 28.426 ( 3.787 -0.388 -1.966) 4.284 28.607 ( 0.552 -5.141 -5.667) 7.672 28.959 ( -3.631 1.496 6.122) 7.273 28.987 ( -2.635 -0.039 5.203) 5.833 29.277 ( -2.888 6.226 -3.048) 7.509 29.499 ( -0.632 -2.679 -12.612) 12.909 31.253 ( -0.962 -0.105 2.516) 2.695 31.280 ( -1.897 -2.067 0.126) 2.808 32.155 ( -12.046 7.465 8.410) 16.479 32.371 ( -15.291 -1.553 -7.016) 16.895 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 10.181 4.972 -4.930) 12.356 1.622 ( 7.998 -1.138 -4.884) 9.440 1.651 ( 9.125 11.336 3.702) 15.015 1.759 ( 7.664 -7.883 4.612) 11.923 1.915 ( 16.863 -1.604 -1.499) 17.005 2.047 ( 12.823 -13.651 0.787) 18.745 2.249 ( -0.207 3.896 -10.280) 10.995 2.376 ( -1.982 -4.716 9.839) 11.090 2.543 ( 3.564 -5.891 -3.450) 7.701 2.584 ( 1.067 -5.063 4.471) 6.838 2.715 ( 0.516 -8.914 0.733) 8.959 2.819 ( -0.105 -9.067 -9.005) 12.779 2.873 ( 0.912 1.007 13.805) 13.872 2.993 ( 2.276 -2.374 -1.636) 3.673 3.045 ( -7.205 2.765 -2.698) 8.175 3.109 ( -5.916 -1.988 3.430) 7.121 3.323 ( -2.699 3.281 -0.575) 4.287 3.402 ( -4.439 0.702 0.962) 4.596 3.475 ( -1.671 3.104 1.413) 3.798 3.662 ( -2.782 -2.186 -4.422) 5.663 3.794 ( 4.303 6.957 -0.681) 8.209 3.903 ( 0.169 3.334 1.856) 3.820 3.991 ( 3.217 -1.553 1.149) 3.753 4.027 ( 2.163 1.092 1.660) 2.937 4.203 ( 3.574 3.411 -1.542) 5.176 4.269 ( 9.200 3.487 -0.511) 9.852 4.363 ( 5.450 6.060 -2.544) 8.538 4.429 ( 8.147 0.016 -3.531) 8.879 4.538 ( 7.680 -1.657 -1.682) 8.035 4.571 ( 6.169 -4.585 2.032) 7.950 4.682 ( 11.176 6.408 -5.910) 14.174 4.727 ( 4.509 1.400 4.635) 6.616 4.844 ( 4.920 -0.343 3.926) 6.304 4.935 ( 16.651 -2.663 2.154) 16.999 5.200 ( 11.565 4.910 -3.006) 12.919 5.338 ( 9.940 -0.411 -1.281) 10.030 5.526 ( 2.564 2.944 2.669) 4.729 5.581 ( 9.393 0.243 2.069) 9.621 5.718 ( 3.553 3.859 -1.653) 5.500 5.843 ( 3.489 1.597 2.282) 4.464 5.916 ( 8.699 0.938 2.579) 9.122 5.984 ( 6.524 -2.126 -1.857) 7.108 6.074 ( 5.735 4.289 -0.261) 7.166 6.234 ( 7.591 -2.958 2.173) 8.431 6.445 ( 5.691 5.564 -0.318) 7.965 6.609 ( -0.218 5.529 -2.360) 6.015 6.685 ( 11.135 0.920 -1.707) 11.302 6.874 ( 13.164 -0.418 0.774) 13.193 6.970 ( 0.934 3.712 -4.593) 5.979 7.077 ( 4.558 3.233 3.632) 6.665 7.238 ( 16.260 -2.218 0.329) 16.414 7.272 ( 0.699 4.344 -1.959) 4.816 7.414 ( 10.068 -5.052 -1.474) 11.361 7.595 ( 8.194 -5.741 1.555) 10.125 7.636 ( -0.179 1.061 -6.204) 6.297 7.742 ( -0.472 -6.214 3.678) 7.237 8.170 ( -5.501 9.660 1.170) 11.178 8.277 ( -10.914 1.063 0.766) 10.993 8.422 ( -5.599 -4.466 -1.912) 7.413 8.626 ( -3.972 3.395 2.544) 5.811 8.743 ( 1.821 -5.216 -3.333) 6.452 8.819 ( -2.976 4.946 -0.075) 5.773 8.919 ( -4.682 -11.761 6.104) 14.054 9.133 ( -3.649 -7.504 -6.980) 10.879 9.222 ( -4.342 5.420 1.335) 7.072 9.446 ( -3.694 -5.283 5.462) 8.449 9.605 ( 9.158 -0.890 -1.028) 9.258 9.701 ( 1.644 -2.106 -0.253) 2.684 9.795 ( -3.281 -2.609 2.931) 5.115 9.959 ( -14.870 -3.579 4.480) 15.938 10.147 ( -7.650 3.235 0.008) 8.306 10.173 ( -7.977 1.130 -7.704) 11.147 11.202 ( 2.091 9.615 2.181) 10.079 11.342 ( 7.215 5.492 -0.884) 9.110 11.550 ( 6.492 -4.951 0.586) 8.186 11.660 ( 1.811 -4.485 -2.238) 5.330 12.588 ( -7.491 5.413 2.891) 9.683 12.625 ( -8.919 2.494 -3.956) 10.070 12.727 ( -2.978 -1.777 -2.097) 4.053 12.864 ( -3.728 -8.313 -0.657) 9.134 13.156 ( -0.605 -2.627 4.338) 5.107 13.234 ( 2.288 -5.365 1.796) 6.103 13.433 ( 1.532 0.275 -2.425) 2.882 13.504 ( 0.812 -0.062 0.750) 1.107 13.662 ( 6.170 1.872 -1.661) 6.658 13.857 ( -1.624 8.985 0.969) 9.182 13.961 ( 4.133 -11.016 0.600) 11.780 14.238 ( 2.622 -5.589 -1.141) 6.278 14.324 ( 2.360 7.754 -5.088) 9.570 14.478 ( -2.000 3.496 5.052) 6.461 14.585 ( 7.074 -1.586 -6.023) 9.425 14.679 ( 0.073 -0.222 3.279) 3.287 14.976 ( 5.588 3.501 0.419) 6.608 15.185 ( 1.766 -3.561 1.663) 4.308 15.495 ( -4.921 -4.523 -0.769) 6.728 15.673 ( -4.840 -12.247 2.082) 13.332 15.841 ( -6.353 5.883 5.943) 10.502 15.859 ( -6.275 5.733 -5.280) 10.006 16.190 ( -8.750 -2.002 -0.647) 8.999 16.228 ( -8.599 -3.036 -1.532) 9.247 21.189 ( -2.393 3.504 2.415) 4.883 21.232 ( -2.369 1.481 2.671) 3.865 21.338 ( -3.588 3.605 -1.587) 5.328 21.360 ( -1.684 1.789 -2.419) 3.448 24.664 ( 0.036 3.182 0.241) 3.191 24.693 ( -1.716 2.252 -0.648) 2.904 24.751 ( 1.497 -0.512 -0.800) 1.773 24.763 ( -0.465 -0.865 0.624) 1.163 25.309 ( 6.899 1.859 -0.688) 7.178 25.444 ( 7.271 -4.035 -0.091) 8.317 25.464 ( 12.147 4.788 -0.674) 13.074 25.682 ( 10.169 -6.516 -1.215) 12.139 26.360 ( 6.475 3.336 1.294) 7.397 26.446 ( 7.298 -0.783 0.366) 7.349 26.575 ( 8.917 1.359 -0.587) 9.039 26.743 ( 13.520 -7.220 -6.872) 16.797 27.202 ( -3.695 5.619 10.699) 12.637 27.380 ( 0.403 0.659 1.469) 1.659 27.593 ( -1.598 -3.179 0.241) 3.566 27.663 ( -0.028 -3.588 -7.232) 8.073 28.081 ( -4.258 7.528 -3.062) 9.175 28.280 ( -3.523 0.877 8.525) 9.266 28.445 ( -0.719 -3.195 -4.246) 5.362 28.590 ( 3.044 -4.552 -1.986) 5.825 28.920 ( -4.260 2.444 5.174) 7.134 29.015 ( -1.047 -3.016 7.557) 8.204 29.182 ( -4.803 5.126 -2.011) 7.306 29.393 ( -1.494 -3.573 -9.644) 10.392 31.241 ( -1.730 -0.879 -0.380) 1.977 31.249 ( -1.474 -0.995 2.207) 2.834 31.914 ( -17.207 6.809 3.470) 18.827 32.034 ( -17.012 0.651 -2.107) 17.155 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.671 -4.210 -6.558) 7.822 1.709 ( -0.711 -9.039 1.645) 9.215 1.824 ( 6.514 8.479 4.079) 11.444 1.909 ( 11.614 0.936 -4.381) 12.448 2.051 ( 3.747 5.692 -3.842) 7.823 2.281 ( 10.611 -7.473 2.923) 13.303 2.311 ( 3.709 -4.290 0.762) 5.721 2.446 ( 8.711 -3.042 0.615) 9.247 2.506 ( -6.355 -1.935 -4.656) 8.113 2.542 ( 0.070 -9.181 -4.774) 10.348 2.728 ( -0.241 -1.367 1.080) 1.758 2.795 ( 1.720 -6.084 -1.920) 6.607 2.865 ( -6.995 -0.460 -1.094) 7.094 2.937 ( -6.038 -4.807 -0.142) 7.719 3.023 ( -0.375 -0.711 10.465) 10.496 3.124 ( -1.241 -1.676 -3.547) 4.114 3.297 ( 3.759 1.897 4.698) 6.308 3.348 ( -3.601 1.925 2.536) 4.806 3.438 ( -5.679 -0.003 5.717) 8.058 3.586 ( 0.015 -2.808 2.526) 3.777 3.850 ( -1.475 4.571 1.298) 4.976 3.884 ( -0.076 4.425 -4.323) 6.187 3.957 ( -3.104 6.065 -2.780) 7.359 4.120 ( 3.460 4.028 -0.630) 5.348 4.251 ( 2.154 -3.194 1.027) 3.987 4.380 ( 1.309 -2.574 -4.590) 5.423 4.454 ( 7.486 10.587 0.303) 12.970 4.554 ( 7.730 1.685 -2.397) 8.266 4.628 ( 2.328 1.924 1.675) 3.454 4.678 ( 7.087 -4.532 -4.567) 9.572 4.815 ( 5.292 1.806 2.511) 6.129 4.870 ( 7.869 2.406 -2.037) 8.477 4.998 ( 5.517 0.788 6.471) 8.541 5.248 ( 13.552 -2.972 1.758) 13.985 5.348 ( 6.011 5.136 -1.526) 8.052 5.529 ( 10.480 0.385 -0.299) 10.491 5.587 ( 1.308 5.691 3.306) 6.711 5.744 ( 7.186 1.523 -0.362) 7.354 5.823 ( 11.251 -0.627 -2.147) 11.472 5.905 ( 4.176 -0.447 -0.142) 4.202 6.054 ( 3.795 2.408 1.740) 4.820 6.129 ( 3.987 1.729 3.737) 5.732 6.176 ( 6.457 3.072 -1.667) 7.342 6.314 ( 2.094 -2.689 -3.281) 4.731 6.635 ( 13.509 5.345 1.754) 14.634 6.702 ( 12.026 5.999 1.767) 13.555 6.839 ( 6.511 2.654 -3.054) 7.666 6.935 ( 5.720 4.021 -6.984) 9.883 7.189 ( 4.868 0.761 7.027) 8.582 7.238 ( 14.406 0.535 -2.903) 14.706 7.308 ( 8.916 7.612 2.515) 11.990 7.514 ( 9.555 -3.119 -0.833) 10.086 7.541 ( 5.619 -6.404 -3.176) 9.092 7.624 ( 2.129 0.711 -1.149) 2.522 7.750 ( 1.615 -6.507 -1.565) 6.885 7.779 ( 7.304 -4.140 1.745) 8.575 8.078 ( -5.483 4.351 -0.436) 7.013 8.128 ( -4.835 6.865 2.511) 8.764 8.310 ( -5.097 -7.318 -0.818) 8.955 8.585 ( -1.735 4.606 1.028) 5.028 8.728 ( -1.794 -10.759 -3.003) 11.314 8.763 ( -2.168 4.057 2.197) 5.097 8.905 ( -3.535 -10.611 7.465) 13.447 9.010 ( -4.410 -9.295 -5.653) 11.738 9.145 ( -3.354 6.799 -1.699) 7.769 9.388 ( -4.547 -5.597 1.639) 7.395 9.554 ( -12.600 2.016 2.572) 13.017 9.696 ( -13.259 -1.838 3.742) 13.899 9.749 ( 2.161 -1.199 -1.589) 2.938 9.832 ( 4.056 -4.115 -1.699) 6.022 10.020 ( -2.170 1.522 -2.926) 3.948 10.066 ( -3.215 -0.108 -1.312) 3.474 11.237 ( 0.276 12.986 2.272) 13.186 11.440 ( 4.015 4.866 -1.082) 6.400 11.646 ( -1.204 -6.900 -0.913) 7.063 11.679 ( 6.920 -6.936 -0.835) 9.833 12.443 ( -7.898 4.268 2.602) 9.347 12.511 ( -2.377 8.256 -3.494) 9.275 12.655 ( -5.852 -6.644 3.825) 9.645 12.856 ( 4.712 -7.720 -5.217) 10.441 13.188 ( 0.825 -1.819 3.618) 4.133 13.265 ( 0.432 -6.174 0.418) 6.203 13.442 ( 0.137 2.126 -1.224) 2.457 13.491 ( -2.569 0.477 0.120) 2.616 13.761 ( 5.561 3.074 -1.326) 6.491 13.853 ( 0.462 10.781 0.667) 10.811 14.035 ( 3.233 -9.134 2.108) 9.916 14.273 ( 1.745 -4.903 0.405) 5.220 14.346 ( 4.390 6.071 -5.508) 9.299 14.485 ( -0.424 1.802 5.407) 5.715 14.671 ( 5.745 0.434 -4.954) 7.599 14.729 ( 2.734 0.484 1.825) 3.322 15.089 ( 5.849 1.265 0.173) 5.987 15.233 ( 1.893 -2.781 2.319) 4.086 15.421 ( -1.601 -4.927 -1.514) 5.398 15.577 ( -7.441 -10.361 2.812) 13.062 15.704 ( -5.957 5.437 -4.447) 9.209 15.760 ( -7.385 3.073 6.500) 10.307 16.002 ( -9.989 -1.908 -1.831) 10.333 16.027 ( -11.185 -3.439 -2.583) 11.984 21.164 ( -2.039 3.077 1.984) 4.190 21.209 ( -2.418 1.062 2.772) 3.829 21.263 ( -2.783 3.631 -1.751) 4.898 21.316 ( -1.000 0.744 -2.756) 3.025 24.653 ( -1.383 3.310 0.065) 3.588 24.673 ( 0.093 3.611 -0.537) 3.652 24.751 ( -1.057 -0.920 1.078) 1.768 24.771 ( 0.951 -0.821 -0.853) 1.519 25.422 ( 5.664 1.465 -0.266) 5.857 25.573 ( 6.209 -5.475 0.179) 8.280 25.683 ( 10.889 5.669 0.226) 12.278 25.854 ( 9.094 -3.191 -1.197) 9.712 26.491 ( 5.747 3.599 2.283) 7.155 26.585 ( 6.589 -0.827 1.136) 6.737 26.720 ( 7.195 1.663 -1.087) 7.465 26.887 ( 8.298 -6.365 -7.379) 12.799 27.181 ( -5.976 6.204 8.202) 11.894 27.422 ( 1.428 -0.718 3.810) 4.131 27.528 ( -4.142 -1.511 -1.789) 4.758 27.627 ( 2.271 -0.690 -9.283) 9.582 28.016 ( -1.251 3.953 0.113) 4.147 28.285 ( -1.599 -4.198 3.328) 5.591 28.376 ( -2.190 3.850 -1.214) 4.593 28.675 ( 4.444 -5.455 2.722) 7.544 28.886 ( -3.530 3.431 4.539) 6.696 29.016 ( -2.132 0.175 -2.500) 3.291 29.103 ( -4.003 -1.618 5.239) 6.789 29.311 ( -0.291 -6.002 -7.264) 9.427 31.218 ( -0.152 -0.119 -0.503) 0.539 31.240 ( -0.907 -1.163 1.622) 2.192 31.635 ( -14.171 5.304 1.037) 15.167 31.721 ( -14.968 0.932 -1.805) 15.105 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 4.176 -6.833 -2.889) 8.513 1.653 ( -5.533 -16.099 4.267) 17.550 1.939 ( 3.514 1.478 -4.628) 5.996 2.064 ( 1.900 8.881 5.825) 10.790 2.108 ( 7.963 -3.172 -4.753) 9.801 2.337 ( -2.209 2.528 -3.090) 4.563 2.383 ( 1.008 -4.338 -0.554) 4.488 2.450 ( 3.672 -4.097 -0.392) 5.516 2.516 ( 3.738 -2.974 0.285) 4.785 2.642 ( 1.044 -2.716 -2.925) 4.126 2.679 ( 2.822 1.446 5.241) 6.126 2.774 ( -1.642 -0.739 0.368) 1.838 2.845 ( 3.610 -4.501 -1.425) 5.943 2.905 ( 1.842 -4.032 2.232) 4.963 2.989 ( -5.721 -0.157 2.018) 6.069 3.040 ( -5.498 -2.230 -1.910) 6.233 3.266 ( -6.414 2.869 4.156) 8.164 3.325 ( -7.276 -1.340 3.248) 8.080 3.441 ( 3.344 5.592 0.003) 6.516 3.691 ( 3.200 -0.438 1.996) 3.797 3.765 ( -3.510 4.143 1.230) 5.568 3.856 ( 0.020 6.863 -0.381) 6.874 3.910 ( -2.011 -0.266 -0.109) 2.031 4.139 ( 0.731 2.727 -0.855) 2.950 4.264 ( -0.183 -7.158 -4.090) 8.246 4.349 ( 1.237 2.565 -5.686) 6.359 4.573 ( 3.651 7.151 3.621) 8.808 4.633 ( 1.889 3.134 0.857) 3.758 4.681 ( 4.191 -6.486 -5.683) 9.588 4.773 ( 4.239 6.369 4.110) 8.685 4.908 ( 1.500 3.616 2.901) 4.872 4.963 ( 4.772 0.184 -4.626) 6.649 5.105 ( 1.034 -0.621 7.527) 7.623 5.415 ( 3.178 8.481 1.525) 9.185 5.445 ( 6.648 -7.774 -1.599) 10.353 5.594 ( -2.348 0.625 -1.005) 2.629 5.658 ( 1.465 4.241 3.867) 5.923 5.846 ( 7.259 10.169 -4.371) 13.236 6.014 ( 5.367 -2.389 0.428) 5.890 6.033 ( 6.184 -0.170 3.686) 7.201 6.126 ( 7.112 0.278 -1.504) 7.275 6.186 ( 1.360 -1.864 0.180) 2.314 6.255 ( 4.004 4.967 0.168) 6.382 6.353 ( 3.027 1.150 -3.129) 4.503 6.769 ( 2.108 3.205 2.082) 4.365 6.899 ( 3.038 -3.251 -2.076) 4.910 7.009 ( 12.192 7.319 2.406) 14.422 7.084 ( 12.718 4.861 -1.524) 13.701 7.303 ( 3.645 3.275 2.785) 5.636 7.400 ( 5.024 3.119 -0.695) 5.954 7.500 ( 2.963 -1.663 -4.336) 5.509 7.586 ( 5.331 2.785 2.753) 6.615 7.612 ( 6.856 -5.666 -3.023) 9.394 7.699 ( 1.083 3.236 -1.659) 3.794 7.742 ( 1.810 -2.673 -2.482) 4.072 7.837 ( -1.546 0.357 1.324) 2.067 8.062 ( 4.066 -5.531 1.322) 6.991 8.101 ( -0.260 6.247 -1.560) 6.445 8.235 ( -3.210 -10.383 1.809) 11.017 8.553 ( -3.367 2.173 -2.272) 4.607 8.662 ( -0.653 -11.776 -1.098) 11.845 8.771 ( -1.711 1.296 5.181) 5.608 8.873 ( -4.580 -6.263 3.407) 8.474 8.920 ( 0.266 -9.552 -3.770) 10.272 9.086 ( -1.282 6.760 -2.157) 7.210 9.316 ( -8.321 -1.764 -0.155) 8.507 9.352 ( -4.167 -0.450 0.681) 4.246 9.487 ( -11.150 -3.262 4.100) 12.319 9.781 ( 1.274 0.013 0.550) 1.388 9.870 ( 0.282 -4.147 0.485) 4.185 9.992 ( 0.242 0.663 -1.427) 1.592 10.026 ( 0.779 0.905 -3.855) 4.036 11.252 ( -0.260 12.798 2.070) 12.967 11.467 ( 1.135 4.954 -3.878) 6.393 11.634 ( -0.955 -8.621 3.766) 9.456 11.777 ( 4.492 -7.799 -1.619) 9.145 12.347 ( -4.256 4.727 1.422) 6.518 12.457 ( -1.005 10.272 -4.314) 11.187 12.601 ( -3.204 -6.496 5.661) 9.193 12.911 ( 5.067 -7.848 -6.683) 11.486 13.239 ( 1.623 -1.375 3.075) 3.739 13.280 ( 2.126 -3.453 -1.187) 4.225 13.407 ( -3.291 -0.277 0.255) 3.312 13.424 ( -4.022 -0.350 -0.445) 4.062 13.834 ( 1.476 7.172 1.431) 7.461 13.871 ( 2.473 6.997 -2.095) 7.712 14.109 ( 0.661 -3.895 6.838) 7.897 14.315 ( 1.833 -4.373 1.402) 4.945 14.404 ( 6.324 4.589 -5.245) 9.411 14.552 ( 2.831 1.888 5.085) 6.118 14.688 ( -0.608 1.072 -4.321) 4.493 14.787 ( 2.847 0.096 -0.962) 3.007 15.182 ( 3.833 0.541 0.673) 3.929 15.289 ( 2.339 -1.912 1.127) 3.224 15.414 ( -0.013 -5.069 0.345) 5.080 15.468 ( -3.985 -8.658 0.246) 9.534 15.597 ( -1.975 3.232 -2.610) 4.600 15.680 ( -5.385 0.630 4.711) 7.183 15.796 ( -10.836 -3.424 -3.209) 11.809 15.817 ( -8.360 -2.099 -1.129) 8.693 21.145 ( -1.364 2.615 1.397) 3.264 21.187 ( -2.181 0.646 2.747) 3.566 21.216 ( -0.947 3.647 -1.656) 4.116 21.285 ( -0.052 0.166 -2.467) 2.473 24.634 ( -0.632 3.615 0.038) 3.670 24.667 ( -0.110 3.739 -1.145) 3.912 24.745 ( -0.613 -0.662 1.553) 1.796 24.777 ( 0.366 -0.599 -0.390) 0.803 25.510 ( 3.472 1.241 0.843) 3.783 25.658 ( 3.204 -5.276 -1.184) 6.285 25.849 ( 6.202 5.272 1.649) 8.305 25.981 ( 5.266 -0.889 -1.136) 5.460 26.595 ( 3.314 2.539 2.928) 5.099 26.682 ( 2.521 -1.443 1.231) 3.155 26.819 ( 4.362 2.054 -0.697) 4.872 26.955 ( 4.016 -4.394 -3.959) 7.150 27.135 ( -3.853 5.811 5.179) 8.686 27.408 ( -5.814 -6.599 2.593) 9.170 27.484 ( 1.685 6.344 -5.166) 8.353 27.606 ( 3.766 -0.238 -9.220) 9.963 28.027 ( 0.375 1.531 3.706) 4.028 28.262 ( -0.020 -8.329 -2.433) 8.677 28.380 ( -1.217 9.981 7.888) 12.780 28.758 ( 1.943 -4.778 1.632) 5.411 28.856 ( -3.076 3.153 3.170) 5.427 28.936 ( -1.311 5.290 -5.977) 8.088 29.090 ( -2.703 -8.497 5.517) 10.485 29.275 ( 1.388 -8.298 -5.194) 9.887 31.234 ( 2.047 0.268 -0.186) 2.073 31.248 ( 1.057 -0.366 0.896) 1.433 31.422 ( -9.243 3.177 -0.024) 9.774 31.474 ( -10.021 0.609 -1.837) 10.207 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.822 -6.145 2.683) 9.565 1.596 ( -3.256 -11.071 1.977) 11.708 1.871 ( -3.302 -1.296 -2.916) 4.592 2.103 ( -1.186 -2.405 -2.596) 3.732 2.208 ( 4.459 -3.890 1.073) 6.014 2.263 ( -2.674 1.837 -1.416) 3.540 2.459 ( 4.994 0.801 3.513) 6.158 2.520 ( 5.139 -2.198 4.019) 6.884 2.555 ( -3.285 0.359 -1.065) 3.472 2.676 ( 8.467 -2.099 0.496) 8.737 2.704 ( -7.455 3.683 -1.319) 8.419 2.781 ( -3.384 -0.165 -2.193) 4.036 2.849 ( -1.566 -2.347 4.036) 4.924 2.914 ( -3.267 -1.852 -1.734) 4.137 2.976 ( 2.654 -2.408 2.044) 4.126 3.008 ( 6.709 -5.737 0.665) 8.852 3.175 ( -6.775 0.441 4.158) 7.961 3.255 ( -0.243 0.825 2.657) 2.793 3.436 ( -1.709 5.020 -1.642) 5.551 3.613 ( -4.134 -1.564 -7.922) 9.071 3.769 ( 0.072 4.454 2.823) 5.273 3.846 ( -3.098 1.366 -3.671) 4.994 3.968 ( 5.999 6.677 7.666) 11.804 4.144 ( -0.845 5.211 -2.365) 5.785 4.225 ( 0.361 -8.169 -1.554) 8.323 4.354 ( 3.606 4.013 -5.295) 7.560 4.614 ( -1.079 0.396 1.430) 1.835 4.678 ( 0.129 8.514 4.431) 9.599 4.715 ( 4.216 -9.490 -4.745) 11.417 4.836 ( -3.050 11.159 3.843) 12.190 4.900 ( -0.833 -2.269 -1.699) 2.955 4.999 ( 1.558 8.028 -0.264) 8.182 5.167 ( -1.299 -3.762 8.131) 9.053 5.449 ( -0.796 5.881 2.192) 6.327 5.504 ( 1.621 -9.415 -5.608) 11.078 5.524 ( -1.908 1.235 -1.659) 2.814 5.678 ( -2.439 8.128 5.322) 10.017 5.915 ( 3.344 12.031 -5.537) 13.659 6.072 ( 1.093 2.401 4.033) 4.819 6.103 ( -2.721 -4.916 3.551) 6.647 6.171 ( -0.711 1.975 0.216) 2.111 6.242 ( 1.281 -2.848 -2.104) 3.765 6.287 ( -1.077 2.769 -0.466) 3.007 6.361 ( 1.301 -0.859 -4.259) 4.535 6.822 ( 1.023 2.284 4.671) 5.299 6.930 ( 0.953 -3.080 -0.040) 3.224 7.100 ( -2.246 5.059 -1.176) 5.659 7.194 ( -1.523 1.138 -4.797) 5.160 7.333 ( -1.820 6.299 2.754) 7.111 7.427 ( 0.977 5.887 -1.833) 6.242 7.549 ( 2.548 -3.047 0.735) 4.039 7.604 ( 0.096 1.516 -0.361) 1.562 7.643 ( -2.434 2.163 -2.880) 4.347 7.703 ( 1.353 4.009 -5.403) 6.863 7.803 ( 5.373 1.122 4.008) 6.796 7.866 ( -0.536 -3.488 2.518) 4.335 8.052 ( -1.823 -1.208 -1.709) 2.776 8.132 ( -0.792 -7.516 -2.931) 8.106 8.223 ( -0.202 -7.716 5.191) 9.302 8.463 ( 1.165 -7.218 -7.191) 10.256 8.701 ( 3.185 -7.111 1.624) 7.960 8.749 ( -3.600 -0.657 4.250) 5.609 8.812 ( -4.619 -3.328 2.473) 6.207 8.954 ( 4.306 -8.950 -3.373) 10.489 9.084 ( 3.434 8.419 -0.344) 9.099 9.163 ( -5.191 5.430 -1.064) 7.587 9.361 ( -4.364 -5.123 1.249) 6.845 9.375 ( 3.238 -5.429 2.735) 6.887 9.799 ( -1.462 1.344 3.058) 3.646 9.877 ( 1.023 -3.686 0.825) 3.913 9.992 ( 0.649 0.550 -1.881) 2.065 10.020 ( 1.640 0.568 -4.643) 4.957 11.263 ( -0.442 11.117 2.499) 11.403 11.442 ( 0.260 6.201 -4.970) 7.951 11.653 ( -1.355 -8.406 5.373) 10.068 11.821 ( 2.044 -8.810 -2.011) 9.265 12.307 ( -1.027 4.470 0.939) 4.682 12.410 ( 0.085 8.059 -4.415) 9.190 12.616 ( -0.710 -3.018 6.215) 6.945 12.921 ( 2.080 -7.060 -7.964) 10.844 13.260 ( -2.747 -0.632 1.773) 3.330 13.331 ( 2.118 -3.833 -0.746) 4.442 13.353 ( -0.812 -0.938 0.204) 1.257 13.375 ( 0.982 -1.098 0.019) 1.473 13.831 ( -2.021 9.541 1.267) 9.835 13.919 ( 3.737 3.362 -2.354) 5.551 14.144 ( -3.560 -0.209 9.192) 9.859 14.347 ( 0.086 -5.835 1.876) 6.130 14.487 ( 4.429 4.413 -2.068) 6.585 14.544 ( -7.563 8.354 -0.934) 11.307 14.690 ( 5.064 -2.008 0.202) 5.451 14.809 ( 1.479 -1.844 -3.882) 4.545 15.230 ( -0.202 -0.115 1.863) 1.878 15.298 ( -2.785 -1.350 1.035) 3.263 15.378 ( -1.999 -4.061 0.572) 4.562 15.471 ( 1.761 -8.208 -1.453) 8.520 15.600 ( 0.618 -0.022 -1.054) 1.222 15.614 ( -3.676 -1.124 -1.853) 4.267 15.673 ( 3.041 -0.430 1.609) 3.467 15.724 ( 1.144 -2.757 -0.761) 3.080 21.137 ( -0.579 2.301 1.042) 2.592 21.172 ( -1.509 0.637 2.495) 2.984 21.202 ( 0.732 3.721 -1.474) 4.069 21.279 ( 1.264 -0.112 -2.051) 2.412 24.629 ( -0.079 3.548 0.134) 3.551 24.656 ( 0.016 3.487 -1.305) 3.723 24.749 ( -0.311 -0.134 1.523) 1.561 24.782 ( 0.451 -0.529 -0.180) 0.718 25.559 ( 0.551 0.866 2.041) 2.285 25.668 ( -0.610 -3.419 -2.535) 4.300 25.929 ( 0.517 3.747 2.537) 4.554 26.023 ( 0.181 -0.031 -1.479) 1.491 26.646 ( -0.840 1.098 3.493) 3.757 26.705 ( -0.147 -1.714 0.692) 1.854 26.869 ( 1.348 3.082 -0.557) 3.410 26.966 ( -2.026 -0.351 0.997) 2.285 27.134 ( 1.652 2.490 0.143) 2.992 27.325 ( -4.669 -4.098 2.397) 6.658 27.456 ( 1.442 4.571 -7.190) 8.641 27.617 ( 3.712 -2.394 -8.301) 9.403 28.077 ( 1.001 1.965 5.969) 6.364 28.251 ( -0.317 -2.536 -1.661) 3.048 28.436 ( 0.323 5.130 9.830) 11.092 28.746 ( -2.022 -2.690 -3.630) 4.950 28.815 ( -3.018 2.923 1.885) 4.605 28.923 ( 3.353 5.519 -3.354) 7.277 29.074 ( -3.331 -10.357 4.486) 11.768 29.281 ( 3.138 -9.011 -4.041) 10.362 31.264 ( -1.571 1.325 1.137) 2.349 31.278 ( -1.992 0.773 0.169) 2.143 31.318 ( 0.976 1.525 -0.829) 1.991 31.355 ( 2.242 -0.509 -1.955) 3.018 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -5.782 2.149 -4.403) 7.579 1.666 ( 4.869 -10.033 3.634) 11.729 1.881 ( 3.550 -3.139 4.940) 6.845 2.028 ( -2.397 -6.097 -6.408) 9.164 2.114 ( -10.285 5.815 -1.741) 11.943 2.314 ( 1.208 -5.757 -0.183) 5.885 2.462 ( -8.248 2.114 0.791) 8.551 2.513 ( -4.968 -3.920 -2.334) 6.745 2.581 ( 3.269 0.405 1.391) 3.576 2.604 ( -4.346 4.251 -4.828) 7.763 2.704 ( 7.112 0.669 5.770) 9.183 2.768 ( -5.603 -6.207 2.348) 8.686 2.842 ( -4.157 -6.835 1.696) 8.178 2.894 ( 5.222 -4.129 -0.295) 6.664 2.986 ( -1.836 1.955 -2.597) 3.733 3.119 ( 5.248 -2.961 -2.003) 6.350 3.152 ( 2.039 0.538 2.307) 3.125 3.340 ( 3.757 -5.104 5.643) 8.486 3.445 ( 1.601 1.498 5.305) 5.740 3.523 ( 1.723 -1.246 -3.613) 4.192 3.756 ( -1.787 6.606 -1.682) 7.047 3.827 ( 2.407 4.208 3.142) 5.777 4.057 ( -3.605 6.199 -2.472) 7.585 4.122 ( 2.860 -2.394 1.669) 4.086 4.241 ( 0.914 0.866 0.090) 1.263 4.368 ( 2.471 4.610 -8.192) 9.719 4.585 ( -1.816 -0.667 -0.900) 2.134 4.664 ( -5.126 7.470 4.297) 10.027 4.734 ( 0.103 -0.306 -2.808) 2.827 4.801 ( -1.913 2.120 -0.612) 2.920 4.823 ( -5.766 0.704 1.569) 6.017 5.016 ( -1.273 7.198 0.547) 7.331 5.155 ( -6.946 -4.882 7.631) 11.415 5.406 ( -6.008 -0.146 -0.383) 6.022 5.438 ( -1.979 -1.441 -3.754) 4.482 5.526 ( 0.647 6.096 3.703) 7.162 5.655 ( -3.185 0.630 0.362) 3.267 5.878 ( -3.703 10.009 -3.833) 11.339 5.982 ( -11.392 -3.420 2.667) 12.189 6.060 ( -5.353 3.668 0.809) 6.539 6.133 ( -6.127 -2.275 0.505) 6.555 6.204 ( -6.579 0.248 -0.701) 6.621 6.231 ( 1.208 4.622 -0.178) 4.780 6.339 ( -0.247 0.536 -2.440) 2.510 6.818 ( -6.238 0.911 1.381) 6.453 6.865 ( -8.262 -0.755 -1.322) 8.401 7.010 ( -5.885 5.179 2.912) 8.363 7.092 ( -4.973 3.248 -3.579) 6.935 7.255 ( -6.825 6.148 4.546) 10.249 7.373 ( -5.132 6.761 -2.222) 8.774 7.489 ( -11.050 2.422 -2.380) 11.560 7.591 ( 1.681 -4.543 -1.565) 5.091 7.620 ( -0.522 -1.107 0.613) 1.369 7.708 ( 2.356 0.458 -3.110) 3.929 7.787 ( -7.422 -4.986 -1.288) 9.033 7.890 ( -1.649 -0.579 0.631) 1.858 8.005 ( -1.186 -1.403 0.640) 1.945 8.051 ( -2.479 -1.546 0.028) 2.922 8.287 ( 3.732 -5.861 2.544) 7.400 8.518 ( 7.342 -11.490 -4.332) 14.307 8.714 ( -0.926 -4.443 -1.350) 4.735 8.739 ( -3.589 1.655 6.076) 7.248 8.818 ( 5.934 -4.860 0.746) 7.706 8.984 ( 0.669 -5.301 -0.842) 5.409 9.119 ( 1.443 3.334 -0.932) 3.750 9.198 ( 6.367 5.757 0.369) 8.592 9.361 ( 5.506 -4.809 -2.680) 7.786 9.492 ( 4.841 -4.136 5.620) 8.493 9.785 ( -0.585 1.412 1.024) 1.839 9.914 ( 1.148 -4.474 0.739) 4.677 9.984 ( 1.018 1.608 -2.346) 3.021 10.016 ( 1.487 0.110 -3.462) 3.770 11.271 ( -1.311 9.095 3.435) 9.810 11.410 ( 0.263 9.356 -4.679) 10.464 11.644 ( -3.263 -7.972 2.557) 8.986 11.832 ( 0.527 -9.361 -0.953) 9.424 12.323 ( 1.863 3.488 1.163) 4.122 12.414 ( 3.625 5.777 -2.600) 7.299 12.652 ( -0.138 -3.074 4.997) 5.868 12.885 ( 0.915 -6.509 -7.408) 9.904 13.197 ( -4.073 -0.044 1.695) 4.412 13.291 ( -2.582 -4.849 0.583) 5.524 13.423 ( 4.103 -0.508 -0.050) 4.135 13.437 ( 4.598 -0.795 -0.649) 4.711 13.790 ( -2.928 8.941 0.050) 9.408 13.961 ( 2.016 1.117 -1.059) 2.537 14.118 ( -6.291 2.571 7.800) 10.345 14.339 ( -3.923 -5.626 -2.021) 7.150 14.356 ( -6.190 6.647 -0.503) 9.096 14.530 ( -0.717 3.935 1.161) 4.165 14.754 ( -0.524 0.404 -1.337) 1.492 14.806 ( 2.580 -3.143 -2.253) 4.649 15.199 ( -4.372 -1.918 1.208) 4.925 15.220 ( -5.327 -0.920 1.076) 5.512 15.365 ( 0.834 -2.068 -0.122) 2.234 15.502 ( 2.333 -6.845 0.288) 7.237 15.555 ( 1.485 -0.619 -0.576) 1.709 15.696 ( 7.359 -2.593 1.647) 7.974 15.803 ( 9.208 0.124 -0.908) 9.254 15.835 ( 9.945 -1.670 -2.143) 10.309 21.140 ( 0.095 2.312 1.120) 2.571 21.171 ( -0.518 0.924 2.269) 2.504 21.219 ( 2.285 3.930 -1.466) 4.776 21.298 ( 2.321 -0.105 -1.903) 3.003 24.633 ( 0.392 3.278 0.179) 3.306 24.650 ( 0.418 3.240 -0.961) 3.405 24.754 ( -0.197 0.136 1.027) 1.054 24.790 ( 0.501 -0.705 -0.193) 0.886 25.558 ( -2.731 0.106 2.846) 3.946 25.604 ( -3.787 -1.390 -3.063) 5.065 25.903 ( -5.530 1.963 2.777) 6.492 25.964 ( -4.888 -0.235 -2.394) 5.448 26.618 ( -4.645 1.075 3.453) 5.887 26.691 ( -2.719 -1.922 1.422) 3.621 26.840 ( -3.991 3.665 -1.571) 5.642 26.902 ( -4.254 2.159 -1.832) 5.111 27.180 ( 3.410 1.127 -1.230) 3.796 27.282 ( -4.263 -4.058 7.091) 9.216 27.465 ( 5.600 3.094 -5.976) 8.755 27.613 ( 2.724 -3.680 -7.656) 8.921 28.137 ( 0.393 1.245 4.680) 4.859 28.214 ( -1.802 0.262 -2.104) 2.783 28.536 ( 1.552 1.404 10.625) 10.829 28.682 ( -0.507 0.349 -4.602) 4.643 28.783 ( -1.622 1.866 1.871) 3.101 28.950 ( -0.707 -2.501 -2.070) 3.322 29.053 ( 0.290 -2.548 2.325) 3.461 29.329 ( 4.981 -7.808 -3.200) 9.799 31.211 ( -2.338 0.713 0.063) 2.445 31.231 ( -1.818 -0.349 0.475) 1.911 31.410 ( 8.028 3.717 -0.272) 8.851 31.488 ( 11.013 -0.032 -1.436) 11.107 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.493 7.250 -5.585) 9.273 1.719 ( -4.334 -3.207 -1.062) 5.496 1.823 ( -12.173 4.399 -0.492) 12.953 1.920 ( -4.187 -9.074 -3.009) 10.436 1.998 ( -4.591 1.489 3.672) 6.065 2.226 ( -4.227 -6.463 2.091) 8.001 2.361 ( -8.119 -5.896 -1.391) 10.130 2.402 ( -5.801 -2.859 1.479) 6.634 2.507 ( -0.806 -1.783 -6.567) 6.852 2.591 ( -2.743 0.021 -4.247) 5.056 2.626 ( -6.454 -4.903 0.483) 8.120 2.795 ( -1.975 -8.603 3.243) 9.404 2.907 ( 8.664 2.759 1.509) 9.217 2.932 ( 5.453 1.792 -0.669) 5.779 3.050 ( 5.993 -1.084 0.568) 6.117 3.166 ( 3.514 -5.695 2.187) 7.040 3.289 ( 5.020 -0.287 2.230) 5.501 3.356 ( -1.529 -4.003 3.696) 5.659 3.517 ( -2.005 2.652 3.418) 4.768 3.593 ( 6.020 2.286 -2.894) 7.060 3.800 ( 3.328 1.538 5.752) 6.821 3.891 ( 0.271 0.636 6.197) 6.236 3.942 ( -3.894 1.929 -4.749) 6.437 4.113 ( -3.652 -6.019 -0.861) 7.093 4.224 ( -2.149 6.660 -3.828) 7.977 4.337 ( 0.963 6.764 -6.664) 9.544 4.524 ( -4.923 0.016 -1.814) 5.247 4.597 ( -4.797 6.049 2.881) 8.241 4.660 ( -5.850 4.772 -2.618) 7.990 4.709 ( -4.956 1.092 -1.811) 5.388 4.736 ( -7.113 -0.753 0.569) 7.175 4.943 ( -7.397 -1.500 2.397) 7.919 5.040 ( -9.219 1.235 5.030) 10.574 5.270 ( -8.944 -2.483 2.517) 9.617 5.357 ( -4.972 4.284 -4.414) 7.910 5.520 ( -10.724 2.252 -0.539) 10.971 5.580 ( -0.079 3.301 5.705) 6.591 5.743 ( -7.253 4.079 -2.314) 8.638 5.786 ( -9.099 -0.715 -0.344) 9.133 5.942 ( -11.497 2.680 2.163) 12.002 5.968 ( -6.709 -0.001 -1.507) 6.876 6.065 ( -6.368 -0.426 0.799) 6.433 6.231 ( -3.325 5.179 0.235) 6.159 6.331 ( -0.361 0.680 -2.296) 2.421 6.632 ( -12.796 4.749 2.626) 13.900 6.700 ( -7.363 0.551 0.703) 7.417 6.855 ( -12.654 3.866 -5.704) 14.408 6.890 ( -11.968 6.079 -3.041) 13.763 7.189 ( -12.931 7.012 -2.106) 14.860 7.213 ( -3.658 2.053 6.224) 7.506 7.355 ( -0.636 0.404 1.692) 1.852 7.532 ( -9.937 -1.488 1.117) 10.110 7.566 ( -4.128 -1.279 -3.812) 5.762 7.659 ( -3.771 -7.507 -3.444) 9.079 7.694 ( 0.135 -7.536 -0.246) 7.541 7.775 ( -7.556 -1.996 0.477) 7.830 8.068 ( 5.924 5.618 1.662) 8.332 8.080 ( 3.940 2.289 0.206) 4.561 8.380 ( 4.681 -6.023 0.681) 7.659 8.614 ( 4.828 -9.098 -1.235) 10.373 8.700 ( 1.200 -3.521 -0.240) 3.727 8.773 ( 2.752 4.495 3.663) 6.418 8.935 ( 4.334 -8.067 1.939) 9.360 8.982 ( 2.075 1.425 -2.718) 3.705 9.182 ( 3.630 -2.321 1.432) 4.541 9.279 ( 3.150 -1.669 -0.687) 3.631 9.502 ( 10.335 1.861 -3.691) 11.131 9.576 ( -0.669 -2.860 5.609) 6.332 9.836 ( 4.446 -0.710 2.045) 4.945 9.894 ( -2.140 -4.497 -1.372) 5.165 10.021 ( 3.113 1.115 -2.107) 3.921 10.053 ( 7.117 1.099 -2.463) 7.611 11.255 ( -3.606 7.919 3.363) 9.328 11.389 ( 0.796 10.694 -2.556) 11.024 11.568 ( -5.732 -7.474 -0.620) 9.440 11.817 ( -1.875 -8.422 -0.771) 8.662 12.388 ( 3.952 2.788 1.043) 4.947 12.512 ( 8.422 3.513 -0.946) 9.174 12.692 ( 1.725 -5.504 2.705) 6.371 12.864 ( 2.560 -6.878 -5.282) 9.042 13.158 ( -2.166 0.462 3.557) 4.190 13.255 ( -1.922 -4.455 0.452) 4.873 13.467 ( 0.749 0.507 -0.842) 1.236 13.509 ( 2.727 -0.752 0.013) 2.829 13.723 ( -3.705 7.186 -1.431) 8.211 13.949 ( -5.223 -2.975 2.745) 6.608 14.043 ( -3.695 7.852 0.905) 8.725 14.211 ( -2.422 3.804 -4.543) 6.402 14.324 ( -1.974 -2.910 1.832) 3.965 14.502 ( -2.612 2.198 0.875) 3.524 14.683 ( -4.489 0.176 -1.500) 4.736 14.832 ( 0.449 -3.967 -0.974) 4.110 15.099 ( -5.837 0.737 0.505) 5.905 15.157 ( -3.404 -3.115 2.227) 5.124 15.397 ( 2.259 -3.055 -0.267) 3.808 15.574 ( 6.084 0.473 -0.119) 6.104 15.651 ( 7.164 -4.165 2.166) 8.565 15.873 ( 8.984 -1.237 3.449) 9.702 15.967 ( 9.310 -0.025 -2.101) 9.544 16.010 ( 10.902 -2.172 -3.760) 11.735 21.158 ( 0.686 2.703 1.802) 3.320 21.186 ( 0.330 1.360 2.187) 2.597 21.262 ( 3.642 4.073 -1.718) 5.728 21.332 ( 2.798 0.332 -2.024) 3.470 24.642 ( 0.554 3.259 -0.032) 3.306 24.661 ( 1.300 2.735 -0.320) 3.046 24.754 ( -0.513 0.083 0.441) 0.681 24.794 ( 0.108 -1.088 -0.325) 1.141 25.487 ( -6.208 0.340 -1.183) 6.329 25.503 ( -5.435 -0.489 1.000) 5.548 25.773 ( -10.607 -0.209 2.872) 10.991 25.811 ( -8.902 -1.412 -3.781) 9.774 26.537 ( -6.924 1.401 3.744) 7.995 26.617 ( -6.769 -1.802 2.377) 7.397 26.713 ( -7.944 3.312 -1.682) 8.769 26.773 ( -6.139 2.203 -7.707) 10.096 27.228 ( -0.507 -0.595 2.456) 2.578 27.265 ( -1.500 -0.870 6.135) 6.376 27.565 ( 6.344 -0.658 -1.576) 6.570 27.619 ( 5.279 -2.428 -6.903) 9.023 28.152 ( -1.003 -0.273 1.515) 1.837 28.170 ( -0.839 -1.582 -2.116) 2.772 28.605 ( -0.723 0.448 2.057) 2.226 28.693 ( 2.435 1.978 4.357) 5.369 28.800 ( 1.505 -0.006 0.590) 1.617 28.865 ( -5.610 -6.302 2.185) 8.715 29.126 ( 5.546 5.004 -0.591) 7.493 29.413 ( 6.953 -5.930 -3.974) 9.965 31.187 ( -0.348 0.675 -0.042) 0.760 31.225 ( 0.307 -1.509 1.255) 1.987 31.594 ( 11.740 6.693 0.402) 13.520 31.728 ( 16.345 0.946 -1.251) 16.420 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.453 10.802 -4.291) 11.714 1.424 ( -15.281 11.034 -4.737) 19.435 1.661 ( -14.195 4.795 4.239) 15.571 1.767 ( -17.599 0.489 -2.818) 17.830 1.885 ( -2.391 -15.870 2.646) 16.266 2.113 ( -11.807 -5.961 0.262) 13.229 2.175 ( -8.074 -7.475 4.534) 11.901 2.347 ( -3.325 -7.767 5.492) 10.077 2.460 ( -5.146 -6.957 -9.413) 12.785 2.530 ( 3.860 -11.625 -1.419) 12.331 2.609 ( 2.965 2.721 4.328) 5.910 2.777 ( 0.431 -3.431 -1.332) 3.705 3.037 ( 3.605 1.308 0.948) 3.950 3.073 ( 7.724 0.259 -2.238) 8.046 3.163 ( 4.055 5.461 -0.160) 6.804 3.210 ( -1.665 -2.649 3.319) 4.561 3.269 ( -0.432 -5.921 -1.561) 6.138 3.446 ( -3.643 5.364 0.147) 6.486 3.514 ( 5.988 -3.344 9.780) 11.945 3.593 ( -3.446 2.131 -1.556) 4.340 3.816 ( -3.543 -0.878 -3.148) 4.820 3.886 ( 1.096 0.173 -0.828) 1.384 3.961 ( 2.097 -0.516 1.058) 2.405 4.028 ( -5.383 -3.121 0.632) 6.254 4.140 ( -2.612 8.226 -3.587) 9.347 4.301 ( -2.711 2.404 0.502) 3.659 4.358 ( -8.804 2.657 -3.556) 9.860 4.473 ( -10.612 3.873 2.898) 11.663 4.516 ( -8.411 5.238 -0.371) 9.916 4.605 ( -3.322 0.508 -5.902) 6.792 4.624 ( -3.419 -2.036 -0.325) 3.992 4.798 ( -10.774 -4.341 2.802) 11.949 4.910 ( -8.499 2.022 2.966) 9.226 5.112 ( -10.628 -0.663 5.858) 12.153 5.195 ( -6.339 1.319 -6.964) 9.509 5.309 ( -8.855 3.004 -1.806) 9.523 5.566 ( -5.909 6.325 2.011) 8.886 5.611 ( -6.671 2.102 0.178) 6.997 5.677 ( -5.360 2.001 -1.671) 5.960 5.736 ( -6.344 -1.033 7.150) 9.614 5.890 ( -4.953 0.171 0.970) 5.050 5.981 ( -4.072 -3.133 0.844) 5.206 6.093 ( -11.500 3.975 -1.205) 12.227 6.182 ( -13.285 -0.843 -2.169) 13.488 6.436 ( -9.860 11.014 3.614) 15.218 6.594 ( -6.767 1.510 -6.893) 9.776 6.619 ( -5.156 -1.026 2.045) 5.641 6.712 ( -2.636 4.108 -1.581) 5.130 6.954 ( -10.805 5.997 -0.978) 12.396 7.160 ( -5.662 -0.502 0.669) 5.724 7.275 ( -12.536 -0.119 0.089) 12.536 7.387 ( -2.259 4.398 -4.088) 6.415 7.456 ( -8.826 -2.042 2.740) 9.465 7.537 ( -4.690 -6.337 -2.746) 8.348 7.618 ( -2.863 -4.025 0.946) 5.029 7.810 ( 6.458 -5.409 0.084) 8.424 8.167 ( 4.956 2.672 1.031) 5.724 8.217 ( 8.964 7.725 -0.362) 11.839 8.462 ( 4.282 -6.119 -0.980) 7.532 8.673 ( 1.955 -3.664 0.849) 4.238 8.766 ( 6.291 -3.939 -1.400) 7.553 8.867 ( 3.336 5.192 2.709) 6.740 8.972 ( 2.665 -1.615 -2.070) 3.741 9.069 ( 5.085 -0.259 2.447) 5.649 9.227 ( 0.795 -4.642 -1.160) 4.850 9.308 ( -0.960 -2.986 2.380) 3.937 9.583 ( -0.552 -7.873 1.099) 7.969 9.633 ( 3.593 0.956 -0.209) 3.724 9.844 ( -2.391 -0.954 1.304) 2.885 9.946 ( 5.586 -1.888 4.075) 7.167 10.080 ( 4.868 4.379 -0.658) 6.580 10.228 ( 13.877 -0.981 -5.970) 15.139 11.183 ( -6.176 8.414 2.022) 10.632 11.407 ( 1.561 7.162 1.131) 7.417 11.431 ( -7.683 -5.528 -2.055) 9.685 11.744 ( -5.047 -6.446 -1.351) 8.298 12.470 ( 4.185 2.754 0.309) 5.019 12.699 ( 12.050 2.117 -0.839) 12.263 12.754 ( 4.628 -6.705 -3.307) 8.792 12.926 ( 7.033 -6.880 -0.001) 9.839 13.168 ( -0.724 -0.552 5.316) 5.393 13.220 ( -2.489 -3.420 0.880) 4.320 13.437 ( -2.067 2.294 -2.344) 3.877 13.522 ( -1.463 -1.349 1.073) 2.262 13.637 ( -4.162 4.654 -2.374) 6.679 13.849 ( -6.177 -2.829 1.729) 7.010 14.006 ( -2.040 6.297 1.394) 6.764 14.162 ( 0.233 1.904 -4.919) 5.279 14.317 ( 0.582 0.624 -0.079) 0.857 14.454 ( -2.992 4.611 -0.147) 5.498 14.594 ( -3.871 -1.259 -0.351) 4.085 14.804 ( -2.532 -5.621 -0.759) 6.211 15.014 ( -3.445 0.961 0.280) 3.588 15.128 ( -1.773 -4.765 3.021) 5.914 15.443 ( 2.960 -0.849 -0.057) 3.080 15.702 ( 7.430 -0.077 -1.170) 7.522 15.821 ( 8.056 -3.279 3.624) 9.423 16.055 ( 7.756 2.148 2.351) 8.385 16.099 ( 6.644 0.058 -2.152) 6.984 16.170 ( 9.193 -4.844 -3.027) 10.823 21.192 ( 0.963 2.971 2.774) 4.178 21.213 ( 0.637 1.764 2.328) 2.990 21.323 ( 4.355 4.245 -2.051) 6.418 21.371 ( 3.154 1.377 -1.917) 3.939 24.656 ( 0.736 2.885 0.167) 2.982 24.683 ( 1.006 2.495 -0.499) 2.736 24.734 ( -1.994 -0.240 -0.406) 2.049 24.796 ( 0.576 -1.516 0.166) 1.630 25.353 ( -7.335 1.226 -0.983) 7.501 25.389 ( -7.124 -0.077 -0.021) 7.124 25.558 ( -13.428 -1.730 -0.221) 13.540 25.610 ( -9.710 -3.349 -1.646) 10.403 26.428 ( -7.671 1.049 3.798) 8.624 26.490 ( -8.469 -1.624 1.997) 8.851 26.537 ( -9.535 2.358 -1.903) 10.005 26.568 ( -8.772 1.403 -7.659) 11.730 27.198 ( -4.903 0.355 6.700) 8.310 27.313 ( 1.520 -1.058 2.515) 3.124 27.605 ( 1.211 -0.830 -0.661) 1.610 27.735 ( 9.014 -3.018 -5.869) 11.172 28.136 ( 0.464 0.046 -0.676) 0.821 28.177 ( 0.958 -2.693 2.605) 3.867 28.586 ( 0.249 -0.945 -3.887) 4.008 28.666 ( -8.057 -6.420 0.574) 10.319 28.838 ( 4.256 4.722 4.405) 7.734 28.910 ( 2.514 0.011 6.648) 7.107 29.224 ( 5.760 6.316 -1.857) 8.747 29.517 ( 8.539 -5.184 -7.269) 12.354 31.194 ( 0.857 0.898 0.379) 1.298 31.253 ( 1.112 -2.694 1.970) 3.518 31.833 ( 12.688 10.313 2.021) 16.475 32.075 ( 21.928 0.779 -0.774) 21.956 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -28.037 8.396 5.441) 29.769 1.158 ( -9.491 20.363 -2.716) 22.630 1.413 ( -10.945 -7.152 2.317) 13.278 1.505 ( -5.745 6.241 -2.654) 8.888 1.815 ( -7.897 -12.799 1.328) 15.097 1.948 ( -3.988 -4.715 5.094) 8.005 2.017 ( -13.302 -10.558 -11.236) 20.363 2.258 ( -1.559 -16.498 11.329) 20.074 2.468 ( 3.474 -5.735 7.710) 10.218 2.577 ( -3.107 -0.113 4.234) 5.253 2.668 ( 3.499 1.306 -4.393) 5.766 2.866 ( 7.425 -5.655 -0.733) 9.362 3.004 ( -5.649 -0.034 -0.935) 5.726 3.095 ( -2.155 -4.089 -4.767) 6.640 3.154 ( -0.155 4.142 -0.033) 4.145 3.252 ( 3.027 1.810 4.405) 5.643 3.307 ( 2.623 1.306 -3.682) 4.706 3.372 ( -4.350 3.761 4.844) 7.519 3.505 ( -4.591 6.639 -3.685) 8.873 3.663 ( 5.021 1.397 -1.781) 5.507 3.779 ( 0.996 -4.563 3.123) 5.618 3.877 ( -4.842 2.097 -5.639) 7.722 3.934 ( 2.697 -5.317 2.552) 6.485 3.966 ( -1.288 -2.099 0.161) 2.468 4.072 ( -2.553 8.782 -4.078) 10.014 4.182 ( -5.145 0.978 -0.789) 5.297 4.267 ( -5.552 6.328 0.000) 8.419 4.328 ( -8.364 6.891 -0.693) 10.859 4.375 ( -2.761 -6.056 5.468) 8.614 4.493 ( -2.967 3.252 -6.754) 8.062 4.585 ( -8.109 -9.530 -0.515) 12.523 4.622 ( -2.486 -0.627 0.902) 2.718 4.758 ( -8.307 4.410 -0.826) 9.441 5.014 ( -4.957 0.895 4.013) 6.440 5.048 ( -3.584 0.080 -5.901) 6.905 5.204 ( -1.554 -2.316 -6.794) 7.344 5.419 ( -11.278 5.707 1.491) 12.727 5.469 ( -3.502 3.553 -0.692) 5.037 5.604 ( -2.686 1.947 3.361) 4.722 5.720 ( -11.228 -4.212 1.397) 12.073 5.817 ( -9.007 -1.284 -2.467) 9.427 5.826 ( 1.766 0.330 4.115) 4.490 5.893 ( -6.581 3.090 1.949) 7.527 5.996 ( -8.268 -4.133 7.456) 11.875 6.399 ( 2.101 9.759 4.739) 11.050 6.473 ( -3.158 4.361 -4.429) 6.972 6.541 ( -4.292 2.404 4.507) 6.672 6.662 ( -5.322 1.699 -3.337) 6.507 6.814 ( -2.590 2.310 1.359) 3.727 6.992 ( -7.422 -4.884 -1.027) 8.944 7.112 ( -3.507 3.318 -0.829) 4.899 7.262 ( -10.126 -3.825 -1.401) 10.915 7.361 ( -0.244 4.656 -1.529) 4.906 7.481 ( -1.038 -0.375 0.639) 1.275 7.611 ( 0.889 -1.596 -2.061) 2.754 7.902 ( 3.828 -9.356 -3.570) 10.721 8.275 ( 4.170 4.611 3.931) 7.355 8.377 ( 9.256 7.873 -2.736) 12.455 8.524 ( 3.462 -3.563 -1.461) 5.178 8.699 ( -0.207 -3.156 1.378) 3.449 8.853 ( 2.187 4.891 -6.713) 8.589 8.927 ( 3.380 -3.031 5.575) 7.189 9.036 ( 6.571 4.782 -5.459) 9.790 9.151 ( -0.221 1.122 4.343) 4.491 9.249 ( 3.705 -1.207 -2.513) 4.637 9.283 ( -4.039 -8.696 7.646) 12.264 9.521 ( -5.823 -9.401 -3.848) 11.709 9.622 ( -1.681 -5.005 -3.869) 6.546 9.848 ( -2.434 4.157 10.375) 11.439 10.110 ( 5.735 -8.235 6.908) 12.183 10.198 ( 8.572 9.188 -0.983) 12.604 10.429 ( 12.740 -1.454 -6.779) 14.504 11.081 ( -5.429 7.654 1.641) 9.527 11.262 ( -8.688 -2.653 -1.947) 9.290 11.453 ( 2.088 3.300 1.423) 4.156 11.627 ( -6.044 -4.232 -1.070) 7.456 12.545 ( 3.282 2.737 1.310) 4.470 12.806 ( 5.420 -5.608 -6.743) 10.310 12.908 ( 9.945 2.015 -1.270) 10.226 13.082 ( 5.648 -7.898 -0.745) 9.738 13.191 ( 1.033 -1.769 3.948) 4.448 13.211 ( 1.995 -1.394 2.128) 3.233 13.403 ( 0.382 3.431 -0.723) 3.527 13.499 ( -1.879 0.279 -1.575) 2.467 13.534 ( -4.188 0.401 0.882) 4.299 13.722 ( -9.953 -5.393 1.903) 11.479 13.984 ( -2.778 5.812 3.742) 7.450 14.140 ( 1.964 0.931 -5.732) 6.130 14.334 ( 2.448 3.340 -3.676) 5.538 14.398 ( -1.677 6.787 -1.874) 7.238 14.541 ( -2.670 -2.422 2.249) 4.249 14.749 ( -2.958 -5.052 0.800) 5.909 14.974 ( -0.218 -1.249 -2.744) 3.023 15.136 ( -0.731 -6.010 4.176) 7.355 15.499 ( 2.682 -0.081 0.701) 2.773 15.803 ( 4.733 -3.537 -2.786) 6.533 15.952 ( 3.540 -0.050 -0.896) 3.652 16.163 ( 3.581 2.746 -6.259) 7.716 16.197 ( 5.033 -0.932 4.249) 6.653 16.308 ( 6.133 -4.721 1.734) 7.932 21.222 ( -0.106 2.895 2.510) 3.833 21.245 ( 0.497 1.431 2.913) 3.283 21.385 ( 3.777 4.626 -1.862) 6.256 21.420 ( 3.183 2.534 -1.251) 4.256 24.657 ( -0.471 1.085 -0.131) 1.191 24.678 ( -2.761 0.058 -0.427) 2.795 24.700 ( 0.925 3.247 0.599) 3.429 24.815 ( 0.457 -1.858 -0.322) 1.940 25.199 ( -7.637 1.432 -0.141) 7.772 25.261 ( -6.184 -1.329 -2.504) 6.803 25.349 ( -6.139 1.239 0.318) 6.271 25.442 ( -7.805 -3.276 0.546) 8.482 26.329 ( -5.477 0.125 1.539) 5.690 26.340 ( -7.395 3.247 -1.517) 8.218 26.348 ( -6.793 -0.803 -0.455) 6.855 26.406 ( -5.563 -0.362 -0.049) 5.575 27.167 ( -4.123 2.682 7.483) 8.954 27.346 ( 0.243 -2.590 2.138) 3.367 27.619 ( 0.688 0.671 -0.546) 1.105 27.800 ( 3.731 -4.670 -8.287) 10.218 28.187 ( 2.442 0.959 5.792) 6.358 28.231 ( 2.384 -2.682 2.846) 4.580 28.495 ( -6.351 0.123 -3.726) 7.364 28.595 ( 0.967 -4.598 -1.479) 4.926 28.934 ( 1.793 4.439 4.284) 6.424 28.994 ( 1.255 0.235 4.912) 5.075 29.299 ( 3.916 6.613 -2.670) 8.137 29.596 ( 7.454 -5.721 -12.448) 15.596 31.219 ( 1.036 0.992 1.154) 1.840 31.287 ( 0.681 -3.569 2.060) 4.176 32.067 ( 8.837 12.609 5.259) 16.270 32.472 ( 20.015 -5.250 -3.927) 21.062 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.160 -14.296 9.366) 17.092 0.999 ( 0.160 14.296 9.366) 17.092 1.427 ( -2.417 -9.580 -6.408) 11.776 1.427 ( -2.417 9.580 -6.408) 11.776 1.515 ( 3.450 -10.553 -11.707) 16.135 1.515 ( 3.450 10.553 -11.707) 16.135 2.144 ( 2.219 -7.033 17.980) 19.434 2.144 ( 2.219 7.033 17.980) 19.434 2.559 ( -5.115 -2.820 7.788) 9.734 2.559 ( -5.115 2.820 7.788) 9.734 2.740 ( 0.476 -6.612 -7.734) 10.186 2.740 ( 0.476 6.612 -7.734) 10.186 2.976 ( 4.611 -4.026 -6.118) 8.654 2.976 ( 4.611 4.026 -6.118) 8.654 3.287 ( 0.914 -4.824 6.242) 7.941 3.287 ( 0.914 4.824 6.242) 7.941 3.371 ( -2.701 -1.626 -0.240) 3.162 3.371 ( -2.701 1.626 -0.240) 3.162 3.572 ( -4.842 -4.528 -3.647) 7.567 3.572 ( -4.842 4.528 -3.647) 7.567 3.833 ( 3.233 -5.314 3.369) 7.074 3.833 ( 3.233 5.314 3.369) 7.074 3.958 ( 4.934 -1.939 6.464) 8.360 3.958 ( 4.934 1.939 6.464) 8.360 4.126 ( -5.478 -4.327 -9.111) 11.478 4.126 ( -5.478 4.327 -9.111) 11.478 4.244 ( -0.697 -3.631 -0.463) 3.726 4.244 ( -0.697 3.631 -0.463) 3.726 4.328 ( 0.816 -2.416 0.124) 2.553 4.328 ( 0.816 2.416 0.124) 2.553 4.560 ( 2.481 -5.561 -1.539) 6.281 4.560 ( 2.481 5.561 -1.539) 6.281 4.797 ( -3.982 -7.976 0.018) 8.915 4.797 ( -3.982 7.976 0.018) 8.915 5.047 ( 0.333 -2.343 -9.531) 9.820 5.047 ( 0.333 2.343 -9.531) 9.820 5.416 ( -2.882 -4.228 3.489) 6.193 5.416 ( -2.882 4.228 3.489) 6.193 5.558 ( 2.600 -3.422 -3.154) 5.331 5.558 ( 2.600 3.422 -3.154) 5.331 5.825 ( 0.413 -5.367 6.854) 8.715 5.825 ( 0.413 5.367 6.854) 8.715 5.921 ( 0.884 -2.873 3.080) 4.304 5.921 ( 0.884 2.873 3.080) 4.304 6.508 ( -2.683 -4.130 1.150) 5.057 6.508 ( -2.683 4.130 1.150) 5.057 6.654 ( 5.501 -2.672 0.336) 6.125 6.654 ( 5.501 2.672 0.336) 6.125 6.860 ( 1.507 -3.497 4.005) 5.527 6.860 ( 1.507 3.497 4.005) 5.527 7.067 ( -2.511 -1.485 -2.510) 3.848 7.067 ( -2.511 1.485 -2.510) 3.848 7.408 ( -0.768 -2.760 -2.002) 3.495 7.408 ( -0.768 2.760 -2.002) 3.495 7.722 ( 0.681 -7.487 -3.061) 8.117 7.722 ( 0.681 7.487 -3.061) 8.117 8.457 ( 0.241 -6.394 1.672) 6.613 8.457 ( 0.241 6.394 1.672) 6.613 8.629 ( 2.598 -3.931 -2.534) 5.350 8.629 ( 2.598 3.931 -2.534) 5.350 8.870 ( -9.092 -7.065 2.148) 11.713 8.870 ( -9.092 7.065 2.148) 11.713 9.132 ( 4.139 -2.392 2.135) 5.235 9.132 ( 4.139 2.392 2.135) 5.235 9.291 ( 2.071 -6.856 -7.589) 10.435 9.291 ( 2.071 6.856 -7.589) 10.435 9.406 ( 1.365 -5.633 -1.036) 5.888 9.406 ( 1.365 5.633 -1.036) 5.888 10.005 ( -4.915 -9.865 12.770) 16.868 10.005 ( -4.915 9.865 12.770) 16.868 10.474 ( 2.978 -7.581 -4.045) 9.094 10.474 ( 2.978 7.581 -4.045) 9.094 11.126 ( -0.176 -2.663 0.645) 2.746 11.126 ( -0.176 2.663 0.645) 2.746 11.507 ( -0.194 -1.414 -0.101) 1.431 11.507 ( -0.194 1.414 -0.101) 1.431 12.716 ( 3.144 -7.822 -2.149) 8.700 12.716 ( 3.144 7.822 -2.149) 8.700 13.004 ( -0.224 -2.499 -1.045) 2.718 13.004 ( -0.224 2.499 -1.045) 2.718 13.255 ( -1.833 -0.871 0.122) 2.033 13.255 ( -1.833 0.871 0.122) 2.033 13.423 ( -6.634 -5.114 1.934) 8.596 13.423 ( -6.634 5.114 1.934) 8.596 13.533 ( 5.708 -4.247 -0.484) 7.131 13.533 ( 5.708 4.247 -0.484) 7.131 14.074 ( -1.096 -6.275 1.245) 6.491 14.074 ( -1.096 6.275 1.245) 6.491 14.434 ( 2.989 -0.317 -4.228) 5.188 14.434 ( 2.989 0.317 -4.228) 5.188 14.560 ( -1.068 -7.649 -1.597) 7.887 14.560 ( -1.068 7.649 -1.597) 7.887 15.037 ( -0.212 -6.489 3.952) 7.601 15.037 ( -0.212 6.489 3.952) 7.601 15.606 ( -0.894 -8.803 -2.753) 9.267 15.606 ( -0.894 8.803 -2.753) 9.267 16.085 ( -0.826 -5.958 -2.756) 6.616 16.085 ( -0.826 5.958 -2.756) 6.616 16.328 ( 1.288 -3.032 1.928) 3.817 16.328 ( 1.288 3.032 1.928) 3.817 21.267 ( -1.058 -0.892 2.699) 3.033 21.267 ( -1.058 0.892 2.699) 3.033 21.472 ( 0.794 -0.706 -1.740) 2.039 21.472 ( 0.794 0.706 -1.740) 2.039 24.676 ( 1.462 -0.247 1.678) 2.239 24.676 ( 1.462 0.247 1.678) 2.239 24.755 ( -1.134 -2.223 -0.954) 2.672 24.755 ( -1.134 2.223 -0.954) 2.672 25.153 ( 0.186 -1.348 -0.192) 1.375 25.153 ( 0.186 1.348 -0.192) 1.375 25.341 ( 0.441 -0.386 0.158) 0.607 25.341 ( 0.441 0.386 0.158) 0.607 26.266 ( -1.098 -0.924 -0.064) 1.437 26.266 ( -1.098 0.924 -0.064) 1.437 26.339 ( 1.719 -1.628 0.413) 2.403 26.339 ( 1.719 1.628 0.413) 2.403 27.266 ( -1.625 -6.239 6.486) 9.145 27.266 ( -1.625 6.239 6.486) 9.145 27.681 ( 0.848 -4.950 -6.320) 8.072 27.681 ( 0.848 4.950 -6.320) 8.072 28.256 ( -0.957 -0.580 6.536) 6.631 28.256 ( -0.957 0.580 6.536) 6.631 28.502 ( 0.966 -6.056 -3.019) 6.836 28.502 ( 0.966 6.056 -3.019) 6.836 29.009 ( -2.166 -1.263 3.641) 4.421 29.009 ( -2.166 1.263 3.641) 4.421 29.462 ( 2.130 -7.736 -8.389) 11.608 29.462 ( 2.130 7.736 -8.389) 11.608 31.262 ( -0.199 -1.232 1.703) 2.112 31.262 ( -0.199 1.232 1.703) 2.112 32.419 ( -0.341 -11.364 -0.753) 11.394 32.419 ( -0.341 11.364 -0.753) 11.394 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 17.517 -9.649 3.240) 20.259 1.296 ( 17.517 9.649 3.240) 20.259 1.471 ( 12.111 -6.602 0.208) 13.795 1.471 ( 12.111 6.602 0.208) 13.795 1.587 ( 11.673 -9.019 -8.554) 17.052 1.587 ( 11.673 9.019 -8.554) 17.052 2.345 ( 5.057 -2.828 14.953) 16.037 2.345 ( 5.057 2.828 14.953) 16.037 2.468 ( -7.955 -7.653 4.825) 12.047 2.468 ( -7.955 7.653 4.825) 12.047 2.695 ( 0.397 -6.974 -8.295) 10.844 2.695 ( 0.397 6.974 -8.295) 10.844 2.944 ( -1.914 -5.214 -7.948) 9.697 2.944 ( -1.914 5.214 -7.948) 9.697 3.244 ( -7.654 -1.302 1.718) 7.952 3.244 ( -7.654 1.302 1.718) 7.952 3.369 ( -0.065 -3.257 4.948) 5.924 3.369 ( -0.065 3.257 4.948) 5.924 3.589 ( 5.206 -3.737 0.764) 6.454 3.589 ( 5.206 3.737 0.764) 6.454 3.871 ( -1.214 -3.044 -0.227) 3.285 3.871 ( -1.214 3.044 -0.227) 3.285 3.997 ( -3.304 -4.370 0.729) 5.527 3.997 ( -3.304 4.370 0.729) 5.527 4.129 ( 9.415 -5.001 0.129) 10.662 4.129 ( 9.415 5.001 0.129) 10.662 4.275 ( 7.171 -2.247 -0.269) 7.520 4.275 ( 7.171 2.247 -0.269) 7.520 4.395 ( 6.276 -1.268 -4.684) 7.933 4.395 ( 6.276 1.268 -4.684) 7.933 4.639 ( 7.408 -4.024 0.025) 8.431 4.639 ( 7.408 4.024 0.025) 8.431 4.746 ( -0.839 -3.993 0.417) 4.102 4.746 ( -0.839 3.993 0.417) 4.102 5.103 ( 10.468 -3.960 -4.373) 12.016 5.103 ( 10.468 3.960 -4.373) 12.016 5.442 ( 3.880 -1.722 2.295) 4.826 5.442 ( 3.880 1.722 2.295) 4.826 5.682 ( 9.214 -3.322 0.001) 9.794 5.682 ( 9.214 3.322 0.001) 9.794 5.911 ( 1.102 -5.686 0.043) 5.792 5.911 ( 1.102 5.686 0.043) 5.792 5.980 ( 7.060 -2.544 3.274) 8.188 5.980 ( 7.060 2.544 3.274) 8.188 6.499 ( 0.770 -4.444 2.761) 5.289 6.499 ( 0.770 4.444 2.761) 5.289 6.706 ( 2.481 -5.453 -3.285) 6.832 6.706 ( 2.481 5.453 -3.285) 6.832 7.005 ( 6.223 -0.671 3.084) 6.978 7.005 ( 6.223 0.671 3.084) 6.978 7.064 ( 7.039 -4.286 -2.384) 8.579 7.064 ( 7.039 4.286 -2.384) 8.579 7.397 ( 1.041 -3.125 -0.808) 3.392 7.397 ( 1.041 3.125 -0.808) 3.392 7.689 ( -1.445 -2.692 -2.448) 3.915 7.689 ( -1.445 2.692 -2.448) 3.915 8.428 ( -4.488 -6.585 1.347) 8.082 8.428 ( -4.488 6.585 1.347) 8.082 8.602 ( -3.633 -9.550 -6.325) 12.017 8.602 ( -3.633 9.550 -6.325) 12.017 8.737 ( -6.236 -5.977 9.164) 12.593 8.737 ( -6.236 5.977 9.164) 12.593 9.113 ( -4.734 -7.781 -5.293) 10.534 9.113 ( -4.734 7.781 -5.293) 10.534 9.317 ( 2.510 -2.671 2.634) 4.513 9.317 ( 2.510 2.671 2.634) 4.513 9.490 ( 9.086 -5.412 -5.107) 11.744 9.490 ( 9.086 5.412 -5.107) 11.744 9.966 ( -9.207 -9.633 11.709) 17.738 9.966 ( -9.207 9.633 11.709) 17.738 10.388 ( -7.637 -5.617 -4.772) 10.614 10.388 ( -7.637 5.617 -4.772) 10.614 11.207 ( 7.055 -3.863 1.134) 8.122 11.207 ( 7.055 3.863 1.134) 8.122 11.524 ( 1.922 -5.398 -0.556) 5.757 11.524 ( 1.922 5.398 -0.556) 5.757 12.728 ( 0.311 -5.799 -3.122) 6.593 12.728 ( 0.311 5.799 -3.122) 6.593 12.921 ( -10.244 -2.112 -1.177) 10.525 12.921 ( -10.244 2.112 -1.177) 10.525 13.138 ( -3.926 -0.364 3.181) 5.066 13.138 ( -3.926 0.364 3.181) 5.066 13.423 ( 2.298 -2.365 0.417) 3.324 13.423 ( 2.298 2.365 0.417) 3.324 13.654 ( 6.588 -7.655 -0.701) 10.124 13.654 ( 6.588 7.655 -0.701) 10.124 14.067 ( -0.877 -8.552 1.276) 8.691 14.067 ( -0.877 8.552 1.276) 8.691 14.458 ( 3.077 -5.095 -4.840) 7.672 14.458 ( 3.077 5.095 -4.840) 7.672 14.558 ( 1.690 -7.179 -0.105) 7.376 14.558 ( 1.690 7.179 -0.105) 7.376 15.063 ( 0.206 -6.724 3.036) 7.380 15.063 ( 0.206 6.724 3.036) 7.380 15.551 ( -2.853 -4.917 -1.345) 5.842 15.551 ( -2.853 4.917 -1.345) 5.842 16.021 ( -4.523 -3.570 -0.804) 5.818 16.021 ( -4.523 3.570 -0.804) 5.818 16.308 ( -4.289 -1.971 0.143) 4.722 16.308 ( -4.289 1.971 0.143) 4.722 21.258 ( -2.006 -1.081 2.701) 3.534 21.258 ( -2.006 1.081 2.701) 3.534 21.442 ( -2.210 -0.724 -1.856) 2.976 21.442 ( -2.210 0.724 -1.856) 2.976 24.713 ( 0.917 -1.178 -0.784) 1.687 24.713 ( 0.917 1.178 -0.784) 1.687 24.738 ( -0.079 -1.697 0.934) 1.938 24.738 ( -0.079 1.697 0.934) 1.938 25.229 ( 7.372 -2.645 -0.476) 7.847 25.229 ( 7.372 2.645 -0.476) 7.847 25.399 ( 6.030 -4.394 -0.206) 7.464 25.399 ( 6.030 4.394 -0.206) 7.464 26.300 ( 4.364 -2.007 0.373) 4.818 26.300 ( 4.364 2.007 0.373) 4.818 26.448 ( 9.430 -2.420 -0.791) 9.768 26.448 ( 9.430 2.420 -0.791) 9.768 27.292 ( -1.265 -6.224 7.210) 9.609 27.292 ( -1.265 6.224 7.210) 9.609 27.640 ( -0.160 -3.947 -5.926) 7.122 27.640 ( -0.160 3.947 -5.926) 7.122 28.262 ( -3.073 -2.098 5.203) 6.396 28.262 ( -3.073 2.098 5.203) 6.396 28.494 ( 0.558 -6.012 -3.855) 7.164 28.494 ( 0.558 6.012 -3.855) 7.164 28.983 ( -3.662 -0.719 5.392) 6.558 28.983 ( -3.662 0.719 5.392) 6.558 29.403 ( -1.660 -6.529 -8.004) 10.461 29.403 ( -1.660 6.529 -8.004) 10.461 31.258 ( -1.393 -0.561 1.381) 2.040 31.258 ( -1.393 0.561 1.381) 2.040 32.289 ( -12.397 -6.220 -0.022) 13.870 32.289 ( -12.397 6.220 -0.022) 13.870 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 3.163 -12.573 -2.840) 13.272 1.446 ( 3.163 12.573 -2.840) 13.272 1.776 ( 14.276 -6.637 -6.206) 16.922 1.776 ( 14.276 6.637 -6.206) 16.922 1.878 ( 18.833 -7.616 9.075) 22.250 1.878 ( 18.833 7.616 9.075) 22.250 2.338 ( -6.356 -1.514 -1.581) 6.722 2.338 ( -6.356 1.514 -1.581) 6.722 2.480 ( 1.194 -3.366 -0.583) 3.618 2.480 ( 1.194 3.366 -0.583) 3.618 2.660 ( 3.188 -4.043 -2.394) 5.678 2.660 ( 3.188 4.043 -2.394) 5.678 2.927 ( 2.823 -3.517 2.038) 4.949 2.927 ( 2.823 3.517 2.038) 4.949 3.100 ( -8.332 -1.547 0.318) 8.480 3.100 ( -8.332 1.547 0.318) 8.480 3.380 ( -3.736 -2.367 7.049) 8.321 3.380 ( -3.736 2.367 7.049) 8.321 3.571 ( -4.760 -6.153 -5.860) 9.739 3.571 ( -4.760 6.153 -5.860) 9.739 3.903 ( 1.761 -3.481 0.358) 3.917 3.903 ( 1.761 3.481 0.358) 3.917 4.006 ( 4.362 -2.405 5.434) 7.372 4.006 ( 4.362 2.405 5.434) 7.372 4.276 ( 4.343 -2.791 -0.862) 5.234 4.276 ( 4.343 2.791 -0.862) 5.234 4.441 ( 8.489 -4.210 -3.951) 10.266 4.441 ( 8.489 4.210 -3.951) 10.266 4.494 ( 9.909 -4.912 -2.990) 11.457 4.494 ( 9.909 4.912 -2.990) 11.457 4.777 ( 3.683 -2.322 0.735) 4.416 4.777 ( 3.683 2.322 0.735) 4.416 4.850 ( 13.027 -4.802 3.069) 14.219 4.850 ( 13.027 4.802 3.069) 14.219 5.291 ( 12.123 -4.013 -3.018) 13.122 5.291 ( 12.123 4.013 -3.018) 13.122 5.571 ( 6.524 -1.557 3.131) 7.401 5.571 ( 6.524 1.557 3.131) 7.401 5.813 ( 1.794 -5.039 0.175) 5.352 5.813 ( 1.794 5.039 0.175) 5.352 5.944 ( 8.288 -2.023 0.060) 8.532 5.944 ( 8.288 2.023 0.060) 8.532 6.155 ( 7.302 -4.305 -0.072) 8.476 6.155 ( 7.302 4.305 -0.072) 8.476 6.562 ( 4.749 -5.597 -0.519) 7.359 6.562 ( 4.749 5.597 -0.519) 7.359 6.810 ( 11.250 -6.707 -1.224) 13.155 6.810 ( 11.250 6.707 -1.224) 13.155 7.057 ( 4.501 -4.391 -3.312) 7.107 7.057 ( 4.501 4.391 -3.312) 7.107 7.280 ( 10.810 -5.008 1.407) 11.996 7.280 ( 10.810 5.008 1.407) 11.996 7.439 ( 4.049 -9.032 1.322) 9.986 7.439 ( 4.049 9.032 1.322) 9.986 7.660 ( 0.263 -2.182 -1.120) 2.467 7.660 ( 0.263 2.182 -1.120) 2.467 8.311 ( -7.937 -1.922 -0.801) 8.206 8.311 ( -7.937 1.922 -0.801) 8.206 8.485 ( -4.622 -15.640 -0.317) 16.312 8.485 ( -4.622 15.640 -0.317) 16.312 8.735 ( -2.317 -6.055 6.642) 9.281 8.735 ( -2.317 6.055 6.642) 9.281 8.971 ( -5.597 -8.683 -5.062) 11.504 8.971 ( -5.597 8.683 -5.062) 11.504 9.330 ( -2.695 -5.790 1.659) 6.599 9.330 ( -2.695 5.790 1.659) 6.599 9.639 ( 9.542 -3.436 -4.034) 10.914 9.639 ( 9.542 3.436 -4.034) 10.914 9.845 ( -12.280 -6.555 8.548) 16.335 9.845 ( -12.280 6.555 8.548) 16.335 10.186 ( -8.552 -0.742 -4.640) 9.758 10.186 ( -8.552 0.742 -4.640) 9.758 11.356 ( 6.796 -5.798 2.465) 9.267 11.356 ( 6.796 5.798 2.465) 9.267 11.549 ( 1.530 -5.878 -2.247) 6.476 11.549 ( 1.530 5.878 -2.247) 6.476 12.676 ( -7.536 -2.261 0.594) 7.891 12.676 ( -7.536 2.261 0.594) 7.891 12.719 ( -4.045 -6.325 -3.436) 8.256 12.719 ( -4.045 6.325 -3.436) 8.256 13.150 ( 0.544 -2.267 3.085) 3.867 13.150 ( 0.544 2.267 3.085) 3.867 13.473 ( 2.329 -2.706 -0.034) 3.571 13.473 ( 2.329 2.706 -0.034) 3.571 13.758 ( 5.799 -8.245 -0.837) 10.115 13.758 ( 5.799 8.245 -0.837) 10.115 14.063 ( -0.605 -10.847 1.815) 11.015 14.063 ( -0.605 10.847 1.815) 11.015 14.467 ( 1.974 -5.809 -5.011) 7.921 14.467 ( 1.974 5.809 -5.011) 7.921 14.617 ( 4.051 -4.757 1.155) 6.354 14.617 ( 4.051 4.757 1.155) 6.354 15.099 ( 2.107 -6.680 1.453) 7.154 15.099 ( 2.107 6.680 1.453) 7.154 15.485 ( -4.302 -4.888 0.902) 6.573 15.485 ( -4.302 4.888 0.902) 6.573 15.913 ( -7.078 -0.747 0.889) 7.173 15.913 ( -7.078 0.747 0.889) 7.173 16.180 ( -8.527 -1.367 -1.734) 8.808 16.180 ( -8.527 1.367 -1.734) 8.808 21.236 ( -2.603 -1.193 2.750) 3.970 21.236 ( -2.603 1.193 2.750) 3.970 21.377 ( -2.856 -0.392 -2.304) 3.690 21.377 ( -2.856 0.392 -2.304) 3.690 24.721 ( 0.957 -2.531 -0.651) 2.783 24.721 ( 0.957 2.531 -0.651) 2.783 24.735 ( -0.995 -1.964 0.443) 2.246 24.735 ( -0.995 1.964 0.443) 2.246 25.364 ( 6.948 -3.762 -0.519) 7.918 25.364 ( 6.948 3.762 -0.519) 7.918 25.567 ( 11.874 -5.706 -0.564) 13.186 25.567 ( 11.874 5.706 -0.564) 13.186 26.416 ( 7.033 -2.361 1.169) 7.510 26.416 ( 7.033 2.361 1.169) 7.510 26.631 ( 10.852 -4.526 -2.957) 12.124 26.631 ( 10.852 4.526 -2.957) 12.124 27.321 ( -1.933 -6.038 7.442) 9.776 27.321 ( -1.933 6.038 7.442) 9.776 27.594 ( -0.164 -3.107 -4.733) 5.664 27.594 ( -0.164 3.107 -4.733) 5.664 28.219 ( -3.667 -6.268 -0.383) 7.272 28.219 ( -3.667 6.268 -0.383) 7.272 28.482 ( 0.937 -5.636 -0.613) 5.746 28.482 ( 0.937 5.636 -0.613) 5.746 28.966 ( -3.414 -2.361 7.226) 8.334 28.966 ( -3.414 2.361 7.226) 8.334 29.295 ( -3.482 -6.120 -7.111) 10.008 29.295 ( -3.482 6.120 -7.111) 10.008 31.237 ( -1.522 -0.268 0.845) 1.762 31.237 ( -1.522 0.268 0.845) 1.762 32.010 ( -16.897 -3.200 0.362) 17.201 32.010 ( -16.897 3.200 0.362) 17.201 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -3.824 -13.353 -0.886) 13.918 1.421 ( -3.824 13.353 -0.886) 13.918 1.934 ( 8.802 -4.537 -7.641) 12.508 1.934 ( 8.802 4.537 -7.641) 12.508 2.186 ( 6.070 -8.818 5.379) 11.981 2.186 ( 6.070 8.818 5.379) 11.981 2.320 ( 8.443 -7.343 -1.027) 11.237 2.320 ( 8.443 7.343 -1.027) 11.237 2.465 ( -0.312 -0.849 -3.036) 3.168 2.465 ( -0.312 0.849 -3.036) 3.168 2.728 ( 3.101 -1.289 1.927) 3.872 2.728 ( 3.101 1.289 1.927) 3.872 2.866 ( -7.221 -2.042 -4.055) 8.530 2.866 ( -7.221 2.042 -4.055) 8.530 3.071 ( -1.109 -3.621 4.422) 5.822 3.071 ( -1.109 3.621 4.422) 5.822 3.362 ( -3.045 -2.272 6.150) 7.229 3.362 ( -3.045 2.272 6.150) 7.229 3.474 ( -0.408 -6.088 1.378) 6.255 3.474 ( -0.408 6.088 1.378) 6.255 3.907 ( -1.420 -1.286 -0.367) 1.950 3.907 ( -1.420 1.286 -0.367) 1.950 4.098 ( 0.581 -8.105 -0.266) 8.130 4.098 ( 0.581 8.105 -0.266) 8.130 4.286 ( 0.177 -8.341 -2.295) 8.653 4.286 ( 0.177 8.341 -2.295) 8.653 4.548 ( 6.828 -2.504 -4.721) 8.670 4.548 ( 6.828 2.504 -4.721) 8.670 4.655 ( 7.993 -1.028 -0.788) 8.098 4.655 ( 7.993 1.028 -0.788) 8.098 4.864 ( 3.331 -2.727 4.551) 6.264 4.864 ( 3.331 2.727 4.551) 6.264 5.100 ( 10.980 -8.655 -0.150) 13.982 5.100 ( 10.980 8.655 -0.150) 13.982 5.489 ( 8.900 -5.912 -0.361) 10.691 5.489 ( 8.900 5.912 -0.361) 10.691 5.685 ( 3.794 -4.811 3.649) 7.131 5.685 ( 3.794 4.811 3.649) 7.131 5.872 ( 8.189 -2.904 -2.272) 8.981 5.872 ( 8.189 2.904 -2.272) 8.981 6.102 ( 4.589 -2.341 0.808) 5.215 6.102 ( 4.589 2.341 0.808) 5.215 6.261 ( 5.865 -3.664 -1.101) 7.003 6.261 ( 5.865 3.664 -1.101) 7.003 6.714 ( 10.680 -2.931 1.660) 11.198 6.714 ( 10.680 2.931 1.660) 11.198 6.946 ( 6.159 -4.441 -4.503) 8.828 6.946 ( 6.159 4.441 -4.503) 8.828 7.214 ( 11.479 -2.122 1.279) 11.743 7.214 ( 11.479 2.122 1.279) 11.743 7.425 ( 6.530 -3.928 -1.663) 7.800 7.425 ( 6.530 3.928 -1.663) 7.800 7.567 ( 5.131 -7.319 2.191) 9.203 7.567 ( 5.131 7.319 2.191) 9.203 7.697 ( 5.579 -3.123 -0.712) 6.433 7.697 ( 5.579 3.123 -0.712) 6.433 8.161 ( -7.206 -5.641 -0.772) 9.184 8.161 ( -7.206 5.641 -0.772) 9.184 8.413 ( -3.734 -17.186 0.161) 17.588 8.413 ( -3.734 17.186 0.161) 17.588 8.728 ( -2.407 -8.560 2.508) 9.239 8.728 ( -2.407 8.560 2.508) 9.239 8.854 ( -4.152 -6.111 -0.419) 7.400 8.854 ( -4.152 6.111 -0.419) 7.400 9.269 ( -3.426 -6.269 -0.976) 7.211 9.269 ( -3.426 6.269 -0.976) 7.211 9.633 ( -14.173 -4.549 5.512) 15.873 9.633 ( -14.173 4.549 5.512) 15.873 9.762 ( 4.985 -2.631 -3.459) 6.613 9.762 ( 4.985 2.631 -3.459) 6.613 10.051 ( -3.081 -1.582 -2.209) 4.108 10.051 ( -3.081 1.582 -2.209) 4.108 11.464 ( 0.843 -9.705 4.261) 10.632 11.464 ( 0.843 9.705 4.261) 10.632 11.557 ( 3.262 -4.889 -4.253) 7.255 11.557 ( 3.262 4.889 -4.253) 7.255 12.533 ( -7.817 -5.596 3.973) 10.402 12.533 ( -7.817 5.596 3.973) 10.402 12.691 ( 3.048 -9.671 -6.429) 12.007 12.691 ( 3.048 9.671 -6.429) 12.007 13.186 ( 1.066 -1.814 2.758) 3.469 13.186 ( 1.066 1.814 2.758) 3.469 13.479 ( -1.872 -1.595 -0.254) 2.472 13.479 ( -1.872 1.595 -0.254) 2.472 13.865 ( 5.672 -7.520 -0.391) 9.427 13.865 ( 5.672 7.520 -0.391) 9.427 14.084 ( 1.396 -12.196 3.086) 12.658 14.084 ( 1.396 12.196 3.086) 12.658 14.468 ( 2.505 -5.072 -4.301) 7.106 14.468 ( 2.505 5.072 -4.301) 7.106 14.706 ( 4.131 -2.656 0.858) 4.986 14.706 ( 4.131 2.656 0.858) 4.986 15.163 ( 3.693 -5.236 0.842) 6.463 15.163 ( 3.693 5.236 0.842) 6.463 15.407 ( -4.645 -4.586 1.207) 6.638 15.407 ( -4.645 4.586 1.207) 6.638 15.781 ( -7.940 -1.818 1.345) 8.256 15.781 ( -7.940 1.818 1.345) 8.256 15.985 ( -10.393 -0.667 -2.460) 10.701 15.985 ( -10.393 0.667 -2.460) 10.701 21.207 ( -2.593 -1.212 2.584) 3.856 21.207 ( -2.593 1.212 2.584) 3.856 21.312 ( -1.979 -1.311 -2.497) 3.446 21.312 ( -1.979 1.311 -2.497) 3.446 24.713 ( -1.090 -2.589 -0.065) 2.810 24.713 ( -1.090 2.589 -0.065) 2.810 24.737 ( 0.700 -2.526 -0.019) 2.621 24.737 ( 0.700 2.526 -0.019) 2.621 25.477 ( 5.594 -4.183 0.001) 6.985 25.477 ( 5.594 4.183 0.001) 6.985 25.782 ( 10.956 -4.541 -0.617) 11.876 25.782 ( 10.956 4.541 -0.617) 11.876 26.552 ( 5.849 -2.649 1.944) 6.708 26.552 ( 5.849 2.649 1.944) 6.708 26.780 ( 8.004 -4.589 -3.733) 9.953 26.780 ( 8.004 4.589 -3.733) 9.953 27.315 ( -4.622 -7.438 6.585) 10.956 27.315 ( -4.622 7.438 6.585) 10.956 27.577 ( 2.233 -3.921 -4.845) 6.621 27.577 ( 2.233 3.921 -4.845) 6.621 28.140 ( -2.502 -8.107 -3.238) 9.081 28.140 ( -2.502 8.107 -3.238) 9.081 28.528 ( 2.253 -9.090 3.822) 10.115 28.528 ( 2.253 9.090 3.822) 10.115 28.955 ( -3.414 -3.888 5.810) 7.780 28.955 ( -3.414 3.888 5.810) 7.780 29.184 ( -2.892 -6.724 -5.895) 9.398 29.184 ( -2.892 6.724 -5.895) 9.398 31.224 ( -0.280 -0.615 0.447) 0.810 31.224 ( -0.280 0.615 0.447) 0.810 31.708 ( -15.146 -2.299 -0.227) 15.322 31.708 ( -15.146 2.299 -0.227) 15.322 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -1.464 -10.496 2.255) 10.835 1.360 ( -1.464 10.496 2.255) 10.835 2.007 ( 4.394 -4.773 -6.852) 9.436 2.007 ( 4.394 4.773 -6.852) 9.436 2.271 ( -0.595 -8.542 3.828) 9.379 2.271 ( -0.595 8.542 3.828) 9.379 2.376 ( 0.989 -1.975 -2.765) 3.538 2.376 ( 0.989 1.975 -2.765) 3.538 2.537 ( 6.656 -4.835 -0.168) 8.229 2.537 ( 6.656 4.835 -0.168) 8.229 2.736 ( 0.136 -2.698 3.512) 4.431 2.736 ( 0.136 2.698 3.512) 4.431 2.835 ( 3.264 -3.378 -1.838) 5.044 2.835 ( 3.264 3.378 -1.838) 5.044 3.008 ( -5.344 -1.125 0.327) 5.471 3.008 ( -5.344 1.125 0.327) 5.471 3.302 ( -7.456 -1.288 5.538) 9.377 3.302 ( -7.456 1.288 5.538) 9.377 3.580 ( 5.329 -8.300 -0.517) 9.877 3.580 ( 5.329 8.300 -0.517) 9.877 3.859 ( -2.902 -4.375 1.594) 5.486 3.859 ( -2.902 4.375 1.594) 5.487 4.043 ( -1.994 -11.156 -2.526) 11.611 4.043 ( -1.994 11.156 -2.526) 11.611 4.293 ( 1.487 -8.233 -1.244) 8.458 4.293 ( 1.487 8.233 -1.244) 8.458 4.597 ( 2.074 -2.262 -3.493) 4.650 4.597 ( 2.074 2.262 -3.493) 4.650 4.774 ( 5.066 -5.569 0.015) 7.529 4.774 ( 5.066 5.569 0.015) 7.529 4.969 ( 2.523 -1.620 7.225) 7.823 4.969 ( 2.523 1.620 7.225) 7.823 5.221 ( 3.990 -11.978 -2.866) 12.946 5.221 ( 3.990 11.978 -2.866) 12.946 5.554 ( -0.232 -4.558 0.203) 4.568 5.554 ( -0.232 4.558 0.203) 4.568 5.825 ( 5.780 -9.785 4.779) 12.329 5.825 ( 5.780 9.785 4.779) 12.329 6.025 ( 8.676 -3.543 -3.772) 10.102 6.025 ( 8.676 3.543 -3.772) 10.102 6.151 ( 2.126 -2.105 0.760) 3.087 6.151 ( 2.126 2.105 0.760) 3.087 6.338 ( 2.764 -2.860 -1.375) 4.208 6.338 ( 2.764 2.860 -1.375) 4.208 6.834 ( 1.954 -3.522 0.323) 4.041 6.834 ( 1.954 3.522 0.323) 4.041 7.113 ( 10.585 -2.416 1.031) 10.906 7.113 ( 10.585 2.416 1.031) 10.906 7.384 ( 5.732 -4.828 -0.402) 7.505 7.384 ( 5.732 4.828 -0.402) 7.505 7.500 ( 3.673 -3.879 -3.140) 6.196 7.500 ( 3.673 3.879 -3.140) 6.196 7.663 ( 5.653 -4.375 1.057) 7.226 7.663 ( 5.653 4.375 1.057) 7.226 7.813 ( 5.246 -6.342 -0.846) 8.274 7.813 ( 5.246 6.342 -0.846) 8.274 8.044 ( -4.927 -6.890 0.308) 8.476 8.044 ( -4.927 6.890 0.308) 8.476 8.335 ( -3.910 -15.406 -2.343) 16.066 8.335 ( -3.910 15.406 -2.343) 16.066 8.694 ( -1.600 -8.538 -0.203) 8.689 8.694 ( -1.600 8.538 -0.203) 8.689 8.819 ( -1.224 -2.154 3.113) 3.978 8.819 ( -1.224 2.154 3.113) 3.978 9.215 ( -0.816 -6.392 -1.299) 6.573 9.215 ( -0.816 6.392 -1.299) 6.573 9.417 ( -12.006 -4.032 3.673) 13.187 9.417 ( -12.006 4.032 3.673) 13.187 9.804 ( 1.537 -2.505 -0.414) 2.968 9.804 ( 1.537 2.505 -0.414) 2.968 10.018 ( 0.724 -1.495 -2.882) 3.327 10.018 ( 0.724 1.495 -2.882) 3.327 11.460 ( -2.135 -8.707 2.175) 9.225 11.460 ( -2.135 8.707 2.175) 9.225 11.609 ( 3.498 -8.515 -1.633) 9.349 11.609 ( 3.498 8.515 -1.633) 9.350 12.445 ( -4.458 -5.711 2.085) 7.538 12.445 ( -4.458 5.711 2.085) 7.538 12.717 ( 3.905 -11.944 -4.913) 13.492 12.717 ( 3.905 11.944 -4.913) 13.492 13.234 ( 2.223 -1.057 1.816) 3.059 13.234 ( 2.223 1.057 1.816) 3.059 13.413 ( -4.373 -0.675 -0.405) 4.443 13.413 ( -4.373 0.675 -0.405) 4.443 13.932 ( 2.070 -3.653 -0.439) 4.221 13.932 ( 2.070 3.653 -0.439) 4.221 14.157 ( 1.998 -9.527 5.412) 11.138 14.157 ( 1.998 9.527 5.412) 11.138 14.511 ( 5.648 -5.574 -3.591) 8.710 14.511 ( 5.648 5.574 -3.591) 8.710 14.756 ( 0.398 -3.682 -0.162) 3.707 14.756 ( 0.398 3.682 -0.162) 3.707 15.231 ( 2.282 -4.722 1.256) 5.392 15.231 ( 2.282 4.722 1.256) 5.392 15.354 ( -1.235 -0.116 0.112) 1.245 15.354 ( -1.235 0.116 0.112) 1.245 15.659 ( -4.921 -2.889 0.020) 5.706 15.659 ( -4.921 2.889 0.020) 5.706 15.783 ( -9.303 -1.385 -1.299) 9.495 15.783 ( -9.303 1.385 -1.299) 9.495 21.182 ( -1.975 -1.107 2.194) 3.153 21.182 ( -1.975 1.107 2.194) 3.153 21.271 ( -0.565 -1.843 -2.209) 2.932 21.271 ( -0.565 1.843 -2.209) 2.932 24.695 ( -0.553 -2.094 -0.628) 2.255 24.695 ( -0.553 2.094 -0.628) 2.255 24.748 ( 0.240 -2.067 0.662) 2.183 24.748 ( 0.240 2.067 0.662) 2.183 25.563 ( 3.327 -4.212 0.464) 5.388 25.563 ( 3.327 4.212 0.464) 5.388 25.939 ( 6.194 -3.616 -0.521) 7.191 25.939 ( 6.194 3.616 -0.521) 7.191 26.644 ( 2.390 -2.404 1.965) 3.918 26.644 ( 2.390 2.404 1.965) 3.918 26.876 ( 5.152 -3.762 -2.386) 6.811 26.876 ( 5.152 3.762 -2.386) 6.811 27.265 ( -5.272 -7.556 5.490) 10.725 27.265 ( -5.272 7.556 5.490) 10.725 27.579 ( 2.560 -3.025 -7.874) 8.815 27.579 ( 2.560 3.025 -7.874) 8.815 28.107 ( 0.436 -6.799 0.516) 6.833 28.107 ( 0.436 6.799 0.516) 6.833 28.595 ( 0.949 -11.325 4.258) 12.136 28.595 ( 0.949 11.325 4.258) 12.136 28.927 ( -3.221 -4.399 3.331) 6.389 28.927 ( -3.221 4.399 3.331) 6.390 29.110 ( -0.571 -8.205 -4.662) 9.454 29.110 ( -0.571 8.205 -4.662) 9.454 31.241 ( 2.011 -0.403 0.217) 2.062 31.241 ( 2.011 0.403 0.217) 2.062 31.467 ( -10.423 -1.423 -0.710) 10.544 31.467 ( -10.423 1.423 -0.710) 10.544 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 2.703 -4.474 7.064) 8.788 1.417 ( 2.703 4.474 7.064) 8.788 1.960 ( -1.074 -8.201 -10.217) 13.145 1.960 ( -1.074 8.201 -10.217) 13.145 2.254 ( -1.455 -3.447 2.432) 4.463 2.254 ( -1.455 3.447 2.432) 4.463 2.463 ( 4.554 -1.105 3.409) 5.795 2.463 ( 4.554 1.105 3.409) 5.794 2.607 ( 3.477 -3.844 1.476) 5.389 2.607 ( 3.477 3.844 1.476) 5.389 2.760 ( -5.532 -3.885 -0.144) 6.761 2.760 ( -5.532 3.886 -0.144) 6.761 2.874 ( -0.949 -5.435 -2.122) 5.911 2.874 ( -0.949 5.435 -2.122) 5.911 2.944 ( 3.440 -1.123 1.624) 3.967 2.944 ( 3.440 1.123 1.624) 3.967 3.222 ( -4.206 -3.304 4.819) 7.199 3.222 ( -4.206 3.304 4.819) 7.199 3.549 ( -3.593 -5.513 -6.551) 9.285 3.549 ( -3.593 5.513 -6.551) 9.285 3.837 ( -0.011 -2.272 0.062) 2.273 3.837 ( -0.011 2.272 0.062) 2.273 4.073 ( 2.752 -6.523 2.101) 7.385 4.073 ( 2.752 6.523 2.101) 7.385 4.318 ( 1.681 -9.086 1.506) 9.362 4.318 ( 1.681 9.086 1.506) 9.362 4.594 ( 1.668 -1.399 -4.838) 5.305 4.594 ( 1.668 1.399 -4.838) 5.305 4.829 ( 0.131 -5.831 1.224) 5.959 4.829 ( 0.131 5.831 1.224) 5.959 5.019 ( -3.619 -6.742 6.955) 10.341 5.019 ( -3.619 6.742 6.956) 10.341 5.256 ( 2.836 -13.111 -2.796) 13.703 5.256 ( 2.836 13.111 -2.796) 13.703 5.530 ( -1.340 -2.403 -0.786) 2.861 5.530 ( -1.340 2.403 -0.786) 2.861 5.897 ( -2.707 -12.370 4.810) 13.546 5.897 ( -2.707 12.370 4.810) 13.546 6.098 ( 1.907 -6.164 -2.114) 6.790 6.098 ( 1.907 6.164 -2.114) 6.790 6.202 ( 1.681 -2.051 0.490) 2.697 6.202 ( 1.681 2.051 0.490) 2.697 6.332 ( -1.088 -1.874 -3.057) 3.747 6.332 ( -1.088 1.875 -3.057) 3.747 6.873 ( 0.950 -2.900 2.729) 4.094 6.873 ( 0.950 2.900 2.729) 4.094 7.176 ( -2.741 -2.631 -3.105) 4.907 7.176 ( -2.741 2.631 -3.105) 4.907 7.453 ( 1.971 -6.013 1.350) 6.470 7.453 ( 1.971 6.013 1.350) 6.470 7.531 ( 0.677 -5.514 -2.154) 5.958 7.531 ( 0.677 5.514 -2.154) 5.958 7.739 ( -0.143 -4.808 0.807) 4.878 7.739 ( -0.143 4.809 0.807) 4.878 7.853 ( -0.007 -3.346 -1.618) 3.716 7.853 ( -0.007 3.346 -1.618) 3.716 8.008 ( 0.916 -3.664 1.565) 4.088 8.008 ( 0.916 3.664 1.565) 4.088 8.253 ( -1.268 -10.567 -4.262) 11.465 8.253 ( -1.268 10.567 -4.262) 11.465 8.678 ( 0.387 -3.791 -0.427) 3.835 8.678 ( 0.387 3.791 -0.427) 3.835 8.833 ( -0.271 -4.102 2.903) 5.033 8.833 ( -0.271 4.102 2.903) 5.033 9.245 ( 4.616 -7.106 1.183) 8.556 9.245 ( 4.616 7.106 1.183) 8.556 9.265 ( -6.315 -4.233 1.141) 7.687 9.265 ( -6.315 4.233 1.141) 7.687 9.827 ( 0.238 -1.734 1.967) 2.633 9.827 ( 0.238 1.734 1.967) 2.633 10.012 ( 1.293 -1.165 -4.239) 4.583 10.012 ( 1.293 1.165 -4.239) 4.583 11.445 ( -1.166 -7.636 1.989) 7.977 11.445 ( -1.166 7.636 1.989) 7.977 11.643 ( 1.304 -8.584 -1.058) 8.747 11.643 ( 1.304 8.584 -1.058) 8.747 12.398 ( -1.796 -4.963 0.914) 5.356 12.398 ( -1.796 4.963 0.914) 5.356 12.742 ( 2.227 -11.038 -4.019) 11.956 12.742 ( 2.227 11.038 -4.019) 11.956 13.270 ( -1.568 -1.849 1.326) 2.764 13.270 ( -1.568 1.849 1.326) 2.764 13.356 ( 0.991 -0.734 -0.547) 1.349 13.356 ( 0.991 0.734 -0.547) 1.349 13.949 ( 0.222 -1.610 -0.398) 1.674 13.949 ( 0.222 1.610 -0.398) 1.674 14.205 ( -1.654 -7.072 6.046) 9.450 14.205 ( -1.654 7.072 6.046) 9.450 14.593 ( 2.799 -5.435 -2.089) 6.460 14.593 ( 2.799 5.435 -2.089) 6.460 14.727 ( -0.662 -6.785 -1.452) 6.971 14.727 ( -0.662 6.785 -1.452) 6.971 15.252 ( -1.930 -2.718 1.855) 3.815 15.252 ( -1.930 2.718 1.855) 3.815 15.346 ( 0.581 -2.834 -1.058) 3.080 15.346 ( 0.581 2.834 -1.058) 3.080 15.609 ( -1.876 -0.281 -1.800) 2.615 15.609 ( -1.876 0.281 -1.800) 2.615 15.687 ( 2.408 -1.396 0.668) 2.863 15.687 ( 2.408 1.396 0.668) 2.863 21.169 ( -1.077 -0.963 1.858) 2.353 21.169 ( -1.077 0.963 1.858) 2.353 21.260 ( 1.039 -2.060 -1.872) 2.971 21.260 ( 1.039 2.060 -1.872) 2.971 24.683 ( -0.177 -1.427 -0.655) 1.580 24.683 ( -0.177 1.427 -0.655) 1.580 24.757 ( 0.195 -1.586 0.729) 1.757 24.757 ( 0.195 1.586 0.729) 1.757 25.599 ( 0.048 -3.226 0.611) 3.284 25.599 ( 0.048 3.226 0.611) 3.284 25.996 ( 0.339 -2.733 -0.471) 2.794 25.996 ( 0.339 2.733 -0.471) 2.794 26.673 ( -0.592 -1.611 1.752) 2.452 26.673 ( -0.592 1.611 1.752) 2.452 26.930 ( 1.828 -2.981 -1.270) 3.720 26.930 ( 1.828 2.981 -1.270) 3.720 27.218 ( -3.762 -5.758 4.899) 8.444 27.218 ( -3.762 5.758 4.899) 8.444 27.552 ( 2.064 -4.442 -9.217) 10.438 27.552 ( 2.064 4.442 -9.217) 10.438 28.150 ( 1.897 -5.526 2.738) 6.452 28.150 ( 1.897 5.526 2.738) 6.452 28.615 ( -1.521 -10.326 3.393) 10.975 28.615 ( -1.521 10.326 3.393) 10.975 28.889 ( -3.292 -5.225 2.097) 6.522 28.889 ( -3.292 5.225 2.097) 6.522 29.100 ( 3.125 -9.137 -3.726) 10.350 29.100 ( 3.125 9.137 -3.726) 10.350 31.282 ( -1.642 -0.402 0.542) 1.775 31.282 ( -1.642 0.402 0.542) 1.775 31.341 ( 1.472 -0.951 -1.235) 2.144 31.341 ( 1.472 0.951 -1.235) 2.144 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.682 -6.063 3.543) 7.055 1.499 ( 0.682 6.063 3.543) 7.055 1.899 ( 1.990 -4.976 -7.062) 8.865 1.899 ( 1.990 4.976 -7.062) 8.865 2.225 ( -4.274 -4.602 2.121) 6.629 2.225 ( -4.274 4.602 2.121) 6.629 2.466 ( -5.606 -2.137 -3.953) 7.185 2.466 ( -5.606 2.137 -3.953) 7.185 2.618 ( -5.296 -4.530 1.401) 7.109 2.618 ( -5.296 4.530 1.401) 7.109 2.730 ( -2.457 -3.492 1.286) 4.459 2.730 ( -2.457 3.492 1.286) 4.459 2.795 ( 4.659 -5.824 3.677) 8.316 2.795 ( 4.659 5.824 3.677) 8.316 3.052 ( 3.454 -3.660 -5.510) 7.462 3.052 ( 3.454 3.660 -5.510) 7.462 3.221 ( 0.002 -5.761 7.244) 9.255 3.221 ( 0.002 5.761 7.244) 9.255 3.491 ( 2.168 -2.564 0.643) 3.419 3.491 ( 2.168 2.564 0.643) 3.419 3.849 ( 0.427 -2.317 -0.101) 2.358 3.849 ( 0.427 2.317 -0.101) 2.358 4.077 ( -2.176 -1.841 -1.858) 3.402 4.077 ( -2.176 1.841 -1.858) 3.402 4.368 ( 1.347 -6.133 0.703) 6.319 4.368 ( 1.347 6.133 0.703) 6.319 4.600 ( 2.902 -3.964 -5.262) 7.199 4.600 ( 2.902 3.964 -5.262) 7.199 4.801 ( -3.976 -2.914 1.723) 5.222 4.801 ( -3.976 2.914 1.723) 5.222 4.955 ( -8.038 -8.600 5.877) 13.157 4.955 ( -8.038 8.600 5.877) 13.157 5.251 ( -1.949 -9.951 -2.736) 10.502 5.251 ( -1.949 9.951 -2.736) 10.502 5.520 ( 0.271 -4.243 0.546) 4.286 5.520 ( 0.271 4.243 0.546) 4.286 5.803 ( -9.804 -10.902 3.777) 15.140 5.803 ( -9.804 10.902 3.777) 15.140 6.052 ( -5.621 -6.455 -1.698) 8.727 6.052 ( -5.621 6.455 -1.698) 8.727 6.172 ( -5.367 -4.215 -0.971) 6.893 6.172 ( -5.367 4.215 -0.971) 6.893 6.313 ( 1.225 -3.214 -0.632) 3.497 6.313 ( 1.225 3.214 -0.632) 3.497 6.841 ( -6.691 -1.377 -0.168) 6.833 6.841 ( -6.691 1.377 -0.168) 6.833 7.093 ( -3.983 -2.602 1.298) 4.931 7.093 ( -3.983 2.602 1.298) 4.931 7.410 ( -7.169 -8.643 -0.652) 11.248 7.410 ( -7.169 8.643 -0.652) 11.248 7.501 ( -1.926 -6.269 -2.569) 7.044 7.501 ( -1.926 6.269 -2.569) 7.044 7.658 ( -7.781 -5.728 1.059) 9.720 7.658 ( -7.781 5.728 1.059) 9.720 7.789 ( -4.548 -6.192 -1.510) 7.830 7.789 ( -4.548 6.192 -1.510) 7.830 8.084 ( 4.996 -3.975 1.084) 6.476 8.084 ( 4.996 3.975 1.084) 6.476 8.252 ( 3.508 -10.029 -2.133) 10.837 8.252 ( 3.508 10.029 -2.133) 10.837 8.713 ( 3.979 -3.554 -1.053) 5.438 8.713 ( 3.979 3.554 -1.053) 5.438 8.848 ( -0.358 -7.044 3.478) 7.864 8.848 ( -0.358 7.044 3.478) 7.864 9.199 ( -1.004 -4.534 -1.044) 4.759 9.199 ( -1.004 4.534 -1.044) 4.759 9.396 ( 8.972 -5.977 2.946) 11.176 9.396 ( 8.972 5.977 2.946) 11.176 9.833 ( -0.586 -3.663 0.220) 3.716 9.833 ( -0.586 3.663 0.220) 3.716 10.009 ( 1.883 -0.933 -3.160) 3.795 10.009 ( 1.883 0.933 -3.160) 3.795 11.437 ( -1.590 -7.783 1.715) 8.127 11.437 ( -1.590 7.783 1.715) 8.127 11.647 ( 0.111 -9.280 -1.164) 9.354 11.647 ( 0.111 9.280 -1.164) 9.354 12.398 ( 1.008 -4.280 1.386) 4.611 12.398 ( 1.008 4.280 1.386) 4.611 12.738 ( 0.937 -8.466 -4.181) 9.488 12.738 ( 0.937 8.466 -4.181) 9.488 13.221 ( -3.289 -2.485 1.724) 4.468 13.221 ( -3.289 2.485 1.724) 4.468 13.422 ( 4.521 -0.452 -0.319) 4.555 13.422 ( 4.521 0.452 -0.319) 4.555 13.931 ( -2.170 -4.692 -0.305) 5.178 13.931 ( -2.170 4.692 -0.305) 5.178 14.196 ( -3.750 -6.347 5.663) 9.296 14.196 ( -3.750 6.347 5.663) 9.296 14.523 ( -4.824 -6.448 -4.131) 9.050 14.523 ( -4.824 6.448 -4.131) 9.050 14.759 ( 1.875 -1.250 -0.099) 2.256 14.759 ( 1.875 1.250 -0.099) 2.256 15.191 ( -4.748 -1.448 1.179) 5.102 15.191 ( -4.748 1.448 1.179) 5.102 15.367 ( 1.808 -3.838 0.314) 4.254 15.367 ( 1.808 3.838 0.314) 4.254 15.619 ( 4.961 -4.491 -0.389) 6.703 15.619 ( 4.961 4.491 -0.389) 6.703 15.818 ( 9.695 -0.950 -0.955) 9.788 15.818 ( 9.695 0.950 -0.955) 9.788 21.172 ( -0.098 -0.846 1.810) 2.001 21.172 ( -0.098 0.846 1.810) 2.001 21.279 ( 2.473 -2.092 -1.825) 3.718 21.279 ( 2.473 2.092 -1.825) 3.718 24.680 ( 0.257 -0.896 -0.374) 1.004 24.680 ( 0.257 0.896 -0.374) 1.004 24.765 ( 0.087 -1.433 0.406) 1.492 24.765 ( 0.087 1.433 0.406) 1.492 25.574 ( -3.171 -1.460 0.479) 3.524 25.574 ( -3.171 1.460 0.479) 3.524 25.943 ( -5.669 -1.888 -0.537) 6.000 25.943 ( -5.669 1.888 -0.537) 6.000 26.651 ( -3.435 -2.138 2.022) 4.523 26.651 ( -3.435 2.138 2.022) 4.523 26.904 ( -3.270 -2.210 -2.975) 4.942 26.904 ( -3.270 2.210 -2.975) 4.942 27.212 ( -1.267 -2.689 5.655) 6.388 27.212 ( -1.267 2.689 5.655) 6.388 27.537 ( 3.353 -4.145 -6.848) 8.679 27.537 ( 3.353 4.145 -6.848) 8.679 28.179 ( -0.151 -2.891 -0.575) 2.951 28.179 ( -0.151 2.891 -0.575) 2.951 28.625 ( -0.399 -6.028 5.786) 8.365 28.625 ( -0.399 6.028 5.786) 8.365 28.833 ( -3.580 -4.385 0.443) 5.678 28.833 ( -3.580 4.385 0.443) 5.678 29.163 ( 6.038 -8.800 -2.860) 11.049 29.163 ( 6.038 8.800 -2.860) 11.049 31.223 ( -2.425 -0.510 0.171) 2.484 31.223 ( -2.425 0.510 0.171) 2.484 31.467 ( 10.337 -2.140 -0.669) 10.577 31.467 ( 10.337 2.140 -0.669) 10.577 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 1.705 -13.579 -2.084) 13.843 1.517 ( 1.705 13.579 -2.084) 13.843 1.838 ( -5.342 -1.745 -5.914) 8.158 1.838 ( -5.342 1.745 -5.914) 8.158 2.119 ( -11.419 -6.291 4.205) 13.699 2.119 ( -11.419 6.291 4.205) 13.699 2.303 ( -5.944 -3.851 0.989) 7.151 2.303 ( -5.944 3.851 0.989) 7.151 2.547 ( -5.484 -5.012 -3.190) 8.085 2.547 ( -5.484 5.012 -3.190) 8.085 2.654 ( -0.795 -6.220 -1.414) 6.428 2.654 ( -0.795 6.220 -1.414) 6.428 2.962 ( 6.664 -1.402 -1.208) 6.916 2.962 ( 6.664 1.402 -1.208) 6.916 3.067 ( 4.784 -3.777 2.625) 6.637 3.067 ( 4.784 3.777 2.625) 6.637 3.301 ( 1.128 -2.132 6.430) 6.867 3.301 ( 1.128 2.132 6.430) 6.867 3.578 ( 3.394 -3.038 -0.944) 4.651 3.578 ( 3.394 3.038 -0.944) 4.651 3.856 ( -0.258 -3.730 5.428) 6.591 3.856 ( -0.258 3.730 5.428) 6.591 3.993 ( -4.319 -5.044 -2.619) 7.139 3.993 ( -4.319 5.044 -2.619) 7.139 4.351 ( -1.892 -4.232 -3.623) 5.884 4.351 ( -1.892 4.232 -3.623) 5.884 4.592 ( -0.273 -4.768 -5.294) 7.130 4.592 ( -0.273 4.768 -5.294) 7.130 4.708 ( -7.282 -1.582 0.192) 7.454 4.708 ( -7.282 1.582 0.192) 7.454 4.824 ( -9.973 -7.217 4.809) 13.217 4.824 ( -9.973 7.217 4.809) 13.217 5.151 ( -7.323 -7.088 0.184) 10.193 5.151 ( -7.323 7.088 0.184) 10.193 5.488 ( -6.337 -5.399 -0.901) 8.374 5.488 ( -6.337 5.399 -0.901) 8.374 5.665 ( -5.908 -5.324 4.390) 9.084 5.665 ( -5.908 5.324 4.390) 9.084 5.892 ( -8.959 -5.084 -2.558) 10.614 5.892 ( -8.959 5.084 -2.558) 10.614 6.030 ( -8.141 -3.145 0.026) 8.727 6.030 ( -8.141 3.145 0.026) 8.727 6.312 ( -2.679 -2.759 -0.220) 3.852 6.312 ( -2.679 2.759 -0.220) 3.852 6.687 ( -8.323 -1.649 0.955) 8.538 6.687 ( -8.323 1.649 0.955) 8.538 6.940 ( -13.353 -2.403 -3.687) 14.060 6.940 ( -13.353 2.403 -3.687) 14.060 7.263 ( -8.183 -1.499 1.211) 8.407 7.263 ( -8.183 1.499 1.211) 8.407 7.425 ( -2.327 -7.775 -1.583) 8.269 7.425 ( -2.327 7.775 -1.583) 8.269 7.539 ( -6.435 -2.575 1.574) 7.107 7.539 ( -6.435 2.575 1.574) 7.107 7.695 ( -4.184 -4.906 -0.551) 6.471 7.695 ( -4.184 4.906 -0.551) 6.471 8.188 ( 6.049 -5.014 -0.819) 7.900 8.188 ( 6.049 5.014 -0.819) 7.900 8.329 ( 5.180 -11.132 0.931) 12.313 8.329 ( 5.180 11.132 0.931) 12.313 8.777 ( 2.189 -6.832 0.734) 7.212 8.777 ( 2.189 6.832 0.734) 7.212 8.906 ( 5.465 -7.620 1.203) 9.454 8.906 ( 5.465 7.620 1.203) 9.454 9.199 ( 1.247 -4.486 -0.888) 4.740 9.199 ( 1.247 4.486 -0.888) 4.740 9.558 ( 4.387 -1.338 2.309) 5.135 9.558 ( 4.387 1.338 2.309) 5.135 9.828 ( 1.465 -1.393 -0.713) 2.144 9.828 ( 1.465 1.393 -0.713) 2.144 10.051 ( 5.267 -1.327 -2.200) 5.860 10.051 ( 5.267 1.327 -2.200) 5.860 11.401 ( -3.970 -7.662 1.793) 8.814 11.401 ( -3.970 7.662 1.793) 8.814 11.629 ( -0.961 -11.101 -1.806) 11.288 11.629 ( -0.961 11.101 -1.806) 11.288 12.461 ( 4.417 -5.064 1.782) 6.952 12.461 ( 4.417 5.064 1.782) 6.952 12.734 ( 2.790 -6.448 -4.021) 8.095 12.734 ( 2.790 6.448 -4.021) 8.095 13.189 ( -1.963 -2.567 2.449) 4.055 13.189 ( -1.963 2.567 2.449) 4.055 13.485 ( 2.017 -1.362 -0.166) 2.439 13.485 ( 2.017 1.362 -0.166) 2.439 13.856 ( -5.492 -6.367 -0.395) 8.418 13.856 ( -5.492 6.367 -0.395) 8.418 14.162 ( -3.998 -5.691 4.700) 8.394 14.162 ( -3.998 5.691 4.700) 8.394 14.427 ( -0.803 -8.459 -5.765) 10.268 14.427 ( -0.803 8.459 -5.765) 10.268 14.749 ( -2.890 -4.919 0.534) 5.730 14.749 ( -2.890 4.919 0.534) 5.730 15.115 ( -4.322 -1.314 1.076) 4.644 15.115 ( -4.322 1.314 1.076) 4.644 15.427 ( 4.132 -6.500 1.259) 7.804 15.427 ( 4.132 6.500 1.259) 7.804 15.763 ( 9.400 -7.777 1.092) 12.249 15.763 ( 9.400 7.777 1.092) 12.249 15.991 ( 9.785 -1.352 -2.299) 10.142 15.991 ( 9.785 1.352 -2.299) 10.142 21.193 ( 0.690 -0.771 2.155) 2.391 21.193 ( 0.690 0.771 2.155) 2.391 21.320 ( 3.531 -1.760 -2.068) 4.455 21.320 ( 3.531 1.760 -2.068) 4.455 24.688 ( 0.783 -0.775 -0.058) 1.103 24.688 ( 0.783 0.775 -0.058) 1.103 24.764 ( -0.410 -1.479 -0.023) 1.535 24.764 ( -0.410 1.479 -0.023) 1.535 25.495 ( -5.464 -0.439 0.029) 5.481 25.495 ( -5.464 0.439 0.029) 5.481 25.784 ( -10.815 -1.236 -0.661) 10.906 25.784 ( -10.815 1.236 -0.661) 10.906 26.575 ( -6.612 -2.349 2.612) 7.487 26.575 ( -6.612 2.349 2.612) 7.487 26.772 ( -7.505 -2.191 -4.868) 9.210 26.772 ( -7.505 2.191 -4.868) 9.210 27.237 ( -1.254 -1.771 5.845) 6.235 27.237 ( -1.254 1.771 5.845) 6.235 27.580 ( 5.349 -1.863 -3.605) 6.715 27.580 ( 5.349 1.863 -3.605) 6.715 28.150 ( -0.704 -0.539 -2.682) 2.825 28.150 ( -0.704 0.539 -2.682) 2.825 28.654 ( -2.449 -4.212 3.212) 5.836 28.654 ( -2.449 4.212 3.212) 5.836 28.804 ( 0.819 -1.155 3.347) 3.634 28.804 ( 0.819 1.155 3.347) 3.634 29.267 ( 7.509 -8.528 -3.405) 11.862 29.267 ( 7.509 8.528 -3.405) 11.862 31.203 ( -0.215 -0.954 0.459) 1.081 31.203 ( -0.215 0.954 0.459) 1.081 31.699 ( 15.065 -3.840 -0.231) 15.549 31.699 ( 15.065 3.840 -0.231) 15.549 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -5.321 -12.537 -3.466) 14.054 1.493 ( -5.321 12.537 -3.466) 14.054 1.654 ( -10.260 -8.177 -4.223) 13.783 1.654 ( -10.260 8.177 -4.223) 13.783 1.914 ( -9.930 -11.814 9.728) 18.243 1.914 ( -9.930 11.814 9.728) 18.243 2.227 ( -13.748 -7.582 -1.813) 15.804 2.227 ( -13.748 7.582 -1.813) 15.804 2.363 ( -0.764 -3.136 -2.458) 4.057 2.363 ( -0.764 3.136 -2.458) 4.057 2.695 ( 4.234 -5.140 -0.552) 6.683 2.695 ( 4.234 5.140 -0.552) 6.683 3.073 ( 6.177 -1.448 -3.553) 7.272 3.073 ( 6.177 1.448 -3.553) 7.272 3.184 ( 2.451 -1.439 2.185) 3.585 3.184 ( 2.451 1.439 2.185) 3.585 3.352 ( 1.220 -10.460 5.084) 11.693 3.352 ( 1.220 10.460 5.084) 11.693 3.569 ( -1.133 -4.265 0.478) 4.439 3.569 ( -1.133 4.265 0.478) 4.439 3.856 ( -4.674 -3.711 -0.673) 6.006 3.856 ( -4.674 3.711 -0.673) 6.006 3.963 ( 1.117 -1.677 3.111) 3.707 3.963 ( 1.117 1.677 3.111) 3.707 4.258 ( -5.171 -4.458 -1.086) 6.914 4.258 ( -5.171 4.458 -1.086) 6.914 4.480 ( -7.223 -5.793 -4.783) 10.421 4.480 ( -7.223 5.793 -4.783) 10.421 4.568 ( -6.221 -3.164 -2.207) 7.320 4.568 ( -6.221 3.164 -2.207) 7.320 4.682 ( -8.841 -6.234 3.425) 11.348 4.682 ( -8.841 6.234 3.425) 11.348 5.008 ( -8.280 -6.311 2.271) 10.656 5.008 ( -8.280 6.311 2.271) 10.656 5.288 ( -10.175 -4.461 -4.005) 11.810 5.288 ( -10.175 4.461 -4.005) 11.810 5.650 ( -2.786 -0.867 5.955) 6.632 5.650 ( -2.786 0.867 5.955) 6.632 5.700 ( -8.705 -1.653 -1.629) 9.009 5.700 ( -8.705 1.653 -1.629) 9.009 5.916 ( -4.941 -2.928 -0.187) 5.747 5.916 ( -4.941 2.928 -0.187) 5.747 6.154 ( -13.263 -2.227 -1.463) 13.528 6.154 ( -13.263 2.227 -1.463) 13.528 6.578 ( -5.740 -3.546 4.081) 7.885 6.578 ( -5.740 3.546 4.081) 7.885 6.689 ( -6.697 -5.949 -5.838) 10.692 6.689 ( -6.697 5.949 -5.838) 10.692 7.081 ( -10.992 -6.464 -1.424) 12.831 7.081 ( -10.992 6.464 -1.424) 12.831 7.350 ( -9.168 -6.470 0.229) 11.224 7.350 ( -9.168 6.470 0.229) 11.224 7.455 ( -1.628 -3.171 1.738) 3.965 7.455 ( -1.628 3.171 1.738) 3.965 7.665 ( 1.848 -7.695 -1.429) 8.042 7.665 ( 1.848 7.695 -1.429) 8.042 8.293 ( 6.268 -7.800 -1.067) 10.063 8.293 ( 6.268 7.800 -1.067) 10.063 8.452 ( 6.660 -12.320 1.600) 14.096 8.452 ( 6.660 12.320 1.600) 14.096 8.824 ( 2.224 -6.594 2.820) 7.509 8.824 ( 2.224 6.594 2.820) 7.509 9.039 ( 8.216 -7.397 -2.283) 11.289 9.039 ( 8.216 7.397 -2.283) 11.289 9.209 ( -0.471 -4.593 0.841) 4.693 9.209 ( -0.471 4.593 0.841) 4.693 9.566 ( -2.567 -4.603 -1.442) 5.464 9.566 ( -2.567 4.603 -1.442) 5.464 9.887 ( 1.659 -3.982 6.119) 7.487 9.887 ( 1.659 3.982 6.119) 7.487 10.179 ( 11.086 -4.379 -4.523) 12.749 10.179 ( 11.086 4.379 -4.523) 12.749 11.316 ( -6.604 -6.183 1.818) 9.227 11.316 ( -6.604 6.183 1.818) 9.227 11.585 ( -2.178 -9.803 -1.606) 10.170 11.585 ( -2.178 9.803 -1.606) 10.170 12.565 ( 5.832 -7.362 -1.002) 9.445 12.565 ( 5.832 7.362 -1.002) 9.445 12.812 ( 8.194 -5.234 -1.486) 9.836 12.812 ( 8.194 5.234 -1.486) 9.836 13.177 ( -1.616 -1.345 2.647) 3.381 13.177 ( -1.616 1.345 2.647) 3.381 13.485 ( -1.552 -2.484 0.012) 2.928 13.485 ( -1.552 2.484 0.012) 2.928 13.742 ( -6.098 -6.285 -0.834) 8.797 13.742 ( -6.098 6.285 -0.834) 8.797 14.125 ( -3.333 -5.010 3.351) 6.888 14.125 ( -3.333 5.010 3.351) 6.888 14.404 ( 2.465 -6.548 -5.771) 9.069 14.404 ( 2.465 6.548 -5.771) 9.069 14.682 ( -4.102 -7.115 0.112) 8.214 14.682 ( -4.102 7.115 0.112) 8.214 15.052 ( -3.413 -3.148 1.642) 4.925 15.052 ( -3.413 3.148 1.642) 4.925 15.526 ( 5.056 -9.181 1.113) 10.540 15.526 ( 5.056 9.181 1.113) 10.540 15.950 ( 8.973 -8.808 1.510) 12.664 15.950 ( 8.973 8.808 1.510) 12.664 16.132 ( 7.573 -1.454 -2.470) 8.097 16.132 ( 7.573 1.454 -2.470) 8.097 21.226 ( 0.786 -0.507 2.665) 2.824 21.226 ( 0.786 0.507 2.665) 2.824 21.376 ( 4.297 -1.135 -2.208) 4.963 21.376 ( 4.297 1.135 -2.208) 4.963 24.700 ( -0.014 -1.361 -0.295) 1.393 24.700 ( -0.014 1.361 -0.295) 1.393 24.753 ( -0.290 -2.568 0.087) 2.586 24.753 ( -0.290 2.568 0.087) 2.586 25.377 ( -7.086 -1.125 -0.564) 7.197 25.377 ( -7.086 1.125 -0.564) 7.197 25.559 ( -11.991 -1.685 -0.554) 12.122 25.559 ( -11.991 1.685 -0.554) 12.122 26.456 ( -8.067 -1.784 2.548) 8.646 26.456 ( -8.067 1.784 2.548) 8.646 26.572 ( -9.719 -1.035 -4.291) 10.674 26.572 ( -9.719 1.035 -4.291) 10.674 27.248 ( -2.001 -4.261 5.609) 7.323 27.248 ( -2.001 4.261 5.609) 7.323 27.657 ( 4.890 -4.629 -2.952) 7.352 27.657 ( 4.890 4.629 -2.952) 7.352 28.144 ( 1.651 -0.978 -0.233) 1.933 28.144 ( 1.651 0.978 -0.233) 1.933 28.590 ( -3.674 -1.818 -1.515) 4.370 28.590 ( -3.674 1.818 -1.515) 4.370 28.895 ( 3.364 -1.696 6.242) 7.291 28.895 ( 3.364 1.696 6.242) 7.291 29.376 ( 7.526 -8.633 -5.402) 12.663 29.376 ( 7.526 8.633 -5.402) 12.663 31.216 ( 0.874 -1.401 0.915) 1.888 31.216 ( 0.874 1.401 0.915) 1.888 32.006 ( 17.489 -7.127 0.361) 18.889 32.006 ( 17.489 7.127 0.361) 18.889 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -21.973 -10.239 3.679) 24.519 1.203 ( -21.973 10.239 3.679) 24.519 1.487 ( -2.406 -9.814 -4.393) 11.018 1.487 ( -2.406 9.814 -4.393) 11.018 1.778 ( -16.747 -13.160 -10.666) 23.821 1.778 ( -16.747 13.160 -10.666) 23.821 2.001 ( -1.258 -7.968 14.596) 16.676 2.001 ( -1.258 7.968 14.596) 16.676 2.478 ( 6.612 -5.895 5.936) 10.663 2.478 ( 6.612 5.895 5.936) 10.663 2.753 ( 3.225 -5.912 -3.640) 7.655 2.753 ( 3.225 5.912 -3.640) 7.655 3.021 ( -4.609 -2.497 -6.384) 8.261 3.021 ( -4.609 2.497 -6.384) 8.261 3.239 ( 1.565 -3.743 2.618) 4.828 3.239 ( 1.565 3.743 2.618) 4.828 3.393 ( -0.987 -4.747 1.729) 5.148 3.393 ( -0.987 4.747 1.729) 5.148 3.636 ( 4.974 -7.267 2.662) 9.200 3.636 ( 4.974 7.267 2.662) 9.200 3.770 ( -2.682 -5.141 0.630) 5.833 3.770 ( -2.682 5.141 0.630) 5.833 3.927 ( -4.471 -1.891 -1.198) 5.000 3.927 ( -4.471 1.891 -1.198) 5.000 4.207 ( -0.258 -3.845 1.888) 4.291 4.207 ( -0.258 3.845 1.888) 4.291 4.331 ( -7.220 -3.798 -1.586) 8.311 4.331 ( -7.220 3.798 -1.586) 8.311 4.407 ( -7.522 -4.723 -3.560) 9.569 4.407 ( -7.522 4.723 -3.560) 9.569 4.574 ( -3.403 -4.218 -0.139) 5.421 4.574 ( -3.403 4.218 -0.139) 5.421 4.889 ( -6.351 -7.886 0.836) 10.160 4.889 ( -6.351 7.886 0.836) 10.160 5.137 ( -2.457 -4.375 -5.597) 7.517 5.137 ( -2.457 4.375 -5.597) 7.517 5.501 ( -8.588 -1.523 0.227) 8.724 5.501 ( -8.588 1.523 0.227) 8.724 5.647 ( -6.447 -2.932 1.230) 7.188 5.647 ( -6.447 2.932 1.230) 7.188 5.813 ( -3.577 -0.939 2.410) 4.414 5.813 ( -3.577 0.939 2.410) 4.414 5.944 ( -7.704 -2.176 2.681) 8.442 5.944 ( -7.704 2.176 2.681) 8.442 6.535 ( -1.991 -1.465 3.617) 4.381 6.535 ( -1.991 1.465 3.617) 4.381 6.597 ( 0.032 -6.253 -3.852) 7.344 6.597 ( 0.032 6.253 -3.852) 7.344 6.896 ( -6.659 -5.257 -0.144) 8.485 6.896 ( -6.659 5.257 -0.144) 8.485 7.178 ( -8.194 -4.254 -0.006) 9.232 7.178 ( -8.194 4.254 -0.006) 9.232 7.439 ( -1.112 -3.292 -0.682) 3.541 7.439 ( -1.112 3.292 -0.682) 3.541 7.705 ( 3.122 -9.648 -2.473) 10.438 7.705 ( 3.122 9.648 -2.473) 10.438 8.398 ( 4.839 -6.450 0.480) 8.078 8.398 ( 4.839 6.450 0.480) 8.078 8.571 ( 5.035 -8.462 -0.191) 9.848 8.571 ( 5.035 8.462 -0.191) 9.848 8.903 ( 3.146 -2.320 2.489) 4.634 8.903 ( 3.146 2.320 2.489) 4.634 9.105 ( 0.270 -4.434 -4.013) 5.987 9.105 ( 0.270 4.434 -4.013) 5.987 9.235 ( 3.578 -4.955 2.135) 6.474 9.235 ( 3.578 4.955 2.135) 6.474 9.478 ( -4.214 -6.840 -3.901) 8.930 9.478 ( -4.214 6.840 -3.901) 8.930 9.962 ( -0.846 -7.082 11.246) 13.317 9.962 ( -0.846 7.082 11.246) 13.317 10.360 ( 11.418 -6.328 -4.915) 13.949 10.360 ( 11.418 6.328 -4.915) 13.949 11.197 ( -6.825 -4.481 1.056) 8.233 11.197 ( -6.825 4.481 1.056) 8.233 11.534 ( -2.214 -5.017 -0.514) 5.508 11.534 ( -2.214 5.017 -0.514) 5.508 12.654 ( 5.297 -8.224 -2.534) 10.106 12.654 ( 5.297 8.224 -2.534) 10.106 12.966 ( 6.683 -4.382 -0.773) 8.029 12.966 ( 6.683 4.382 -0.773) 8.029 13.187 ( 2.285 -0.898 2.069) 3.211 13.187 ( 2.285 0.898 2.069) 3.211 13.465 ( 0.126 -2.870 0.490) 2.914 13.465 ( 0.126 2.870 0.490) 2.914 13.606 ( -8.577 -5.770 -0.570) 10.353 13.606 ( -8.577 5.770 -0.570) 10.353 14.093 ( -2.248 -4.942 1.980) 5.779 14.093 ( -2.248 4.942 1.980) 5.779 14.415 ( 2.903 -3.758 -4.999) 6.895 14.415 ( 2.903 3.758 -4.999) 6.895 14.611 ( -3.165 -8.271 -0.908) 8.903 14.611 ( -3.165 8.271 -0.908) 8.903 15.023 ( -1.496 -5.379 2.896) 6.290 15.023 ( -1.496 5.379 2.896) 6.290 15.605 ( 2.755 -10.294 -0.839) 10.689 15.605 ( 2.755 10.294 -0.839) 10.689 16.078 ( 4.290 -7.622 -2.009) 8.975 16.078 ( 4.290 7.622 -2.009) 8.975 16.246 ( 5.540 -2.663 1.079) 6.241 16.246 ( 5.540 2.663 1.079) 6.241 21.255 ( 0.018 -0.564 2.811) 2.867 21.255 ( 0.018 0.564 2.811) 2.867 21.439 ( 3.871 -0.829 -1.929) 4.404 21.439 ( 3.871 0.829 -1.929) 4.404 24.674 ( -1.653 -0.562 -0.138) 1.751 24.674 ( -1.653 0.562 -0.138) 1.751 24.764 ( 0.549 -3.214 0.296) 3.273 24.764 ( 0.549 3.214 0.296) 3.273 25.230 ( -7.468 -1.742 -0.508) 7.685 25.230 ( -7.468 1.742 -0.508) 7.685 25.386 ( -5.676 -2.508 -0.151) 6.207 25.386 ( -5.676 2.508 -0.151) 6.207 26.334 ( -6.039 -0.473 0.893) 6.123 26.334 ( -6.039 0.473 0.893) 6.123 26.389 ( -6.678 -1.636 -1.171) 6.974 26.389 ( -6.678 1.636 -1.171) 6.974 27.254 ( -1.998 -5.716 5.852) 8.421 27.254 ( -1.998 5.716 5.852) 8.421 27.696 ( 2.481 -5.762 -4.974) 8.006 27.696 ( 2.481 5.762 -4.974) 8.006 28.200 ( 2.090 -0.750 4.261) 4.805 28.200 ( 2.090 0.750 4.261) 4.805 28.525 ( -1.379 -2.829 -2.616) 4.092 28.525 ( -1.379 2.829 -2.616) 4.092 28.986 ( 1.349 -1.301 4.884) 5.232 28.986 ( 1.349 1.301 4.884) 5.232 29.450 ( 5.632 -8.613 -7.605) 12.796 29.450 ( 5.632 8.613 -7.605) 12.796 31.242 ( 0.836 -1.527 1.454) 2.268 31.242 ( 0.836 1.527 1.454) 2.268 32.301 ( 12.758 -11.430 -0.029) 17.129 32.301 ( 12.758 11.430 -0.029) 17.129 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 5.317 0.000 -29.028) 29.511 1.160 ( -5.317 0.000 29.028) 29.511 1.193 ( 8.392 0.000 -27.032) 28.305 1.193 ( -8.392 0.000 27.032) 28.305 2.050 ( -5.758 0.000 -42.111) 42.503 2.050 ( 5.758 0.000 42.111) 42.503 2.326 ( 6.936 0.000 -3.398) 7.723 2.326 ( -6.936 0.000 3.398) 7.723 2.576 ( -2.070 0.000 -3.475) 4.045 2.576 ( 2.070 0.000 3.475) 4.045 2.743 ( -6.519 0.000 -7.017) 9.577 2.743 ( 6.519 0.000 7.017) 9.577 3.055 ( -0.838 0.000 -7.564) 7.610 3.055 ( 0.838 0.000 7.564) 7.610 3.204 ( 3.074 0.000 -2.758) 4.130 3.204 ( -3.074 0.000 2.758) 4.130 3.266 ( -1.510 0.000 -7.223) 7.379 3.266 ( 1.510 0.000 7.223) 7.379 3.578 ( 3.052 0.000 -3.318) 4.508 3.578 ( -3.052 0.000 3.318) 4.508 3.712 ( -8.510 0.000 -9.113) 12.469 3.712 ( 8.510 0.000 9.113) 12.469 3.811 ( 3.689 0.000 -3.227) 4.901 3.811 ( -3.689 0.000 3.227) 4.901 4.125 ( -0.614 0.000 -1.044) 1.211 4.125 ( 0.614 0.000 1.044) 1.211 4.272 ( 4.762 0.000 -2.430) 5.346 4.272 ( -4.762 0.000 2.430) 5.346 4.386 ( -2.878 0.000 -4.044) 4.963 4.386 ( 2.878 0.000 4.044) 4.963 4.437 ( -8.322 0.000 0.661) 8.348 4.437 ( 8.322 0.000 -0.661) 8.348 4.718 ( -3.258 0.000 -5.075) 6.031 4.718 ( 3.258 0.000 5.075) 6.031 5.028 ( 3.599 0.000 -4.425) 5.704 5.028 ( -3.599 0.000 4.425) 5.704 5.312 ( -3.568 0.000 -3.651) 5.105 5.312 ( 3.568 0.000 3.651) 5.105 5.694 ( -8.209 0.000 1.535) 8.352 5.694 ( 8.209 0.000 -1.535) 8.352 5.723 ( 2.078 0.000 -3.201) 3.817 5.723 ( -2.078 0.000 3.201) 3.817 6.132 ( -4.577 0.000 1.369) 4.777 6.132 ( 4.577 0.000 -1.369) 4.777 6.360 ( -9.096 0.000 -10.784) 14.108 6.360 ( 9.096 0.000 10.784) 14.108 6.416 ( 8.086 0.000 -5.422) 9.736 6.416 ( -8.086 0.000 5.422) 9.736 7.044 ( -6.106 0.000 1.358) 6.255 7.044 ( 6.106 0.000 -1.358) 6.255 7.053 ( 0.977 0.000 -5.253) 5.343 7.053 ( -0.977 0.000 5.253) 5.343 7.506 ( -9.439 0.000 -3.927) 10.224 7.506 ( 9.439 0.000 3.927) 10.224 7.922 ( -20.076 0.000 -2.013) 20.177 7.922 ( 20.076 0.000 2.013) 20.177 8.225 ( -7.983 0.000 -1.324) 8.092 8.225 ( 7.983 0.000 1.324) 8.092 8.480 ( -4.525 0.000 -3.751) 5.877 8.480 ( 4.525 0.000 3.751) 5.877 8.801 ( -1.430 0.000 -4.768) 4.978 8.801 ( 1.430 0.000 4.768) 4.978 9.213 ( -12.828 0.000 -4.483) 13.589 9.213 ( 12.828 0.000 4.483) 13.589 9.378 ( -0.884 0.000 -4.315) 4.405 9.378 ( 0.884 0.000 4.315) 4.405 9.530 ( -3.952 0.000 -5.384) 6.679 9.530 ( 3.952 0.000 5.384) 6.679 10.128 ( 5.931 0.000 -19.416) 20.302 10.128 ( -5.931 0.000 19.416) 20.302 10.392 ( 2.654 0.000 -8.439) 8.846 10.392 ( -2.654 0.000 8.439) 8.846 10.934 ( -7.858 0.000 -3.633) 8.657 10.934 ( 7.858 0.000 3.633) 8.657 11.509 ( -2.850 0.000 -4.355) 5.204 11.509 ( 2.850 0.000 4.355) 5.204 12.767 ( 3.979 0.000 -3.594) 5.362 12.767 ( -3.979 0.000 3.594) 5.362 13.145 ( -6.396 0.000 0.030) 6.396 13.145 ( 6.396 0.000 -0.030) 6.396 13.233 ( 2.156 0.000 -1.055) 2.400 13.233 ( -2.156 0.000 1.055) 2.400 13.499 ( -7.262 0.000 1.545) 7.425 13.499 ( 7.262 0.000 -1.545) 7.425 13.741 ( 7.904 0.000 -4.996) 9.350 13.741 ( -7.904 0.000 4.996) 9.350 13.984 ( 7.376 0.000 -6.309) 9.706 13.984 ( -7.376 0.000 6.309) 9.706 14.165 ( -1.950 0.000 -3.759) 4.234 14.165 ( 1.950 0.000 3.759) 4.234 14.818 ( 2.610 0.000 -11.595) 11.885 14.818 ( -2.610 0.000 11.595) 11.885 15.143 ( -16.991 0.000 -5.231) 17.778 15.143 ( 16.991 0.000 5.231) 17.778 15.632 ( 0.721 0.000 -10.330) 10.355 15.632 ( -0.721 0.000 10.330) 10.355 16.007 ( 1.071 0.000 -7.697) 7.771 16.007 ( -1.071 0.000 7.697) 7.771 16.477 ( -1.062 0.000 -1.179) 1.587 16.477 ( 1.062 0.000 1.179) 1.587 21.150 ( 0.934 0.000 -3.852) 3.964 21.150 ( -0.934 0.000 3.852) 3.964 21.311 ( -0.507 0.000 -2.191) 2.249 21.311 ( 0.507 0.000 2.191) 2.249 24.643 ( -1.923 0.000 0.234) 1.938 24.643 ( 1.923 0.000 -0.234) 1.938 24.728 ( -2.337 0.000 -0.948) 2.522 24.728 ( 2.337 0.000 0.948) 2.522 25.172 ( -0.645 0.000 -1.674) 1.794 25.172 ( 0.645 0.000 1.674) 1.794 25.407 ( -13.330 0.000 1.703) 13.439 25.407 ( 13.330 0.000 -1.703) 13.439 26.222 ( -7.018 0.000 -0.225) 7.022 26.222 ( 7.018 0.000 0.225) 7.022 26.377 ( -0.856 0.000 -0.546) 1.015 26.377 ( 0.856 0.000 0.546) 1.015 27.258 ( 0.607 0.000 -2.282) 2.362 27.258 ( -0.607 0.000 2.282) 2.362 27.806 ( 5.591 0.000 -4.273) 7.037 27.806 ( -5.591 0.000 4.273) 7.037 28.215 ( 11.172 0.000 -10.685) 15.459 28.215 ( -11.172 0.000 10.685) 15.459 28.520 ( 2.424 0.000 -9.612) 9.913 28.520 ( -2.424 0.000 9.612) 9.913 29.056 ( 2.845 0.000 -3.422) 4.451 29.056 ( -2.845 0.000 3.422) 4.451 29.219 ( -2.779 0.000 -0.434) 2.813 29.219 ( 2.779 0.000 0.434) 2.813 31.379 ( -0.460 0.000 -7.921) 7.935 31.379 ( 0.460 0.000 7.921) 7.935 32.317 ( -6.444 0.000 -7.597) 9.962 32.317 ( 6.444 0.000 7.597) 9.962 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 5.343 0.000 -19.227) 19.955 1.175 ( 13.436 0.000 -19.982) 24.080 1.324 ( 1.804 0.000 18.076) 18.166 1.449 ( 10.612 0.000 16.491) 19.610 1.717 ( 11.638 0.000 -43.337) 44.873 2.214 ( 2.061 0.000 7.795) 8.062 2.450 ( 3.871 0.000 2.027) 4.369 2.564 ( 3.983 0.000 8.040) 8.973 2.609 ( 5.744 0.000 1.092) 5.847 2.670 ( 8.183 0.000 19.196) 20.867 2.723 ( 6.965 0.000 8.589) 11.058 2.877 ( -0.401 0.000 4.834) 4.850 3.019 ( 3.859 0.000 -7.728) 8.637 3.098 ( 2.125 0.000 -0.986) 2.343 3.178 ( 2.921 0.000 -5.809) 6.502 3.264 ( 1.072 0.000 3.697) 3.849 3.277 ( 2.359 0.000 -6.049) 6.493 3.438 ( 11.671 0.000 3.764) 12.263 3.478 ( -9.858 0.000 4.214) 10.721 3.563 ( 0.513 0.000 -8.708) 8.723 3.611 ( 0.713 0.000 8.302) 8.333 3.726 ( -5.389 0.000 -1.888) 5.711 3.824 ( 2.788 0.000 -6.024) 6.638 3.961 ( 8.320 0.000 5.005) 9.709 4.106 ( -7.848 0.000 -4.396) 8.995 4.120 ( -2.582 0.000 -2.110) 3.335 4.201 ( 6.953 0.000 2.503) 7.390 4.251 ( 3.847 0.000 -7.348) 8.294 4.317 ( 2.795 0.000 0.347) 2.817 4.462 ( 2.328 0.000 4.959) 5.479 4.546 ( 7.501 0.000 8.611) 11.419 4.608 ( 5.219 0.000 -5.976) 7.934 4.776 ( 10.988 0.000 8.088) 13.644 4.815 ( 3.030 0.000 -0.291) 3.044 5.043 ( 1.128 0.000 -4.536) 4.674 5.077 ( 3.881 0.000 10.995) 11.659 5.355 ( 10.124 0.000 -1.297) 10.207 5.457 ( 5.285 0.000 -0.407) 5.301 5.605 ( 1.793 0.000 0.044) 1.793 5.714 ( -2.234 0.000 2.039) 3.025 5.787 ( 6.390 0.000 0.903) 6.453 5.852 ( 9.164 0.000 -1.505) 9.287 6.046 ( -1.272 0.000 -6.049) 6.181 6.198 ( 4.776 0.000 -1.319) 4.955 6.232 ( -2.901 0.000 3.256) 4.361 6.407 ( 3.080 0.000 2.498) 3.966 6.599 ( 12.435 0.000 -4.703) 13.294 6.669 ( 5.033 0.000 11.630) 12.672 6.943 ( 5.792 0.000 -4.538) 7.358 7.006 ( -0.175 0.000 -0.349) 0.391 7.155 ( -1.996 0.000 1.546) 2.524 7.216 ( -7.688 0.000 -2.170) 7.988 7.273 ( 11.192 0.000 2.963) 11.577 7.527 ( -6.406 0.000 -11.746) 13.379 7.654 ( 5.081 0.000 1.396) 5.270 8.080 ( -0.001 0.000 -1.061) 1.061 8.135 ( -2.777 0.000 0.479) 2.818 8.321 ( -6.797 0.000 -5.355) 8.653 8.474 ( 11.370 0.000 -1.064) 11.419 8.575 ( 1.868 0.000 4.250) 4.643 8.689 ( -7.138 0.000 2.095) 7.439 8.816 ( -4.392 0.000 8.989) 10.004 9.027 ( -3.470 0.000 -5.471) 6.479 9.279 ( -2.571 0.000 -8.467) 8.849 9.280 ( -5.805 0.000 -5.134) 7.750 9.469 ( 9.501 0.000 -1.137) 9.568 9.583 ( 6.244 0.000 4.057) 7.447 9.690 ( 7.432 0.000 3.122) 8.061 10.065 ( 2.840 0.000 -17.842) 18.067 10.127 ( -9.655 0.000 18.174) 20.579 10.251 ( -10.614 0.000 -4.692) 11.605 10.299 ( -12.409 0.000 8.159) 14.851 10.852 ( 0.895 0.000 -4.188) 4.282 11.169 ( 11.452 0.000 6.398) 13.118 11.464 ( 2.633 0.000 -7.102) 7.574 11.638 ( 7.348 0.000 3.705) 8.229 12.667 ( -9.609 0.000 4.430) 10.581 12.738 ( -6.868 0.000 -2.885) 7.450 12.890 ( -12.858 0.000 -2.594) 13.117 13.164 ( -1.735 0.000 1.105) 2.057 13.247 ( 2.274 0.000 1.490) 2.719 13.290 ( 3.980 0.000 -0.724) 4.046 13.413 ( -0.579 0.000 -4.719) 4.755 13.575 ( 1.949 0.000 -5.287) 5.635 13.638 ( -3.213 0.000 0.414) 3.239 13.703 ( -5.166 0.000 -1.736) 5.449 14.030 ( 5.632 0.000 -1.561) 5.845 14.114 ( 0.172 0.000 -0.140) 0.222 14.139 ( 11.005 0.000 -8.389) 13.838 14.251 ( 4.741 0.000 1.370) 4.935 14.797 ( 2.512 0.000 -9.887) 10.201 14.849 ( -11.327 0.000 6.632) 13.126 14.855 ( -3.656 0.000 12.315) 12.846 15.402 ( 3.143 0.000 7.592) 8.217 15.591 ( 0.978 0.000 -4.462) 4.568 15.695 ( -1.371 0.000 10.032) 10.125 15.900 ( -5.946 0.000 -9.630) 11.318 16.002 ( -4.913 0.000 6.529) 8.171 16.396 ( -6.338 0.000 -2.147) 6.692 16.454 ( -4.163 0.000 0.389) 4.181 21.135 ( 0.054 0.000 -2.368) 2.369 21.150 ( -2.451 0.000 3.936) 4.637 21.279 ( -0.782 0.000 -2.331) 2.459 21.311 ( -2.375 0.000 1.963) 3.082 24.615 ( -1.134 0.000 0.668) 1.316 24.656 ( -0.568 0.000 -2.052) 2.130 24.695 ( 2.786 0.000 -2.333) 3.634 24.747 ( 0.172 0.000 1.413) 1.424 25.158 ( 2.724 0.000 -1.445) 3.084 25.233 ( 5.124 0.000 1.699) 5.398 25.358 ( 6.722 0.000 -1.861) 6.975 25.662 ( 14.776 0.000 -7.570) 16.602 26.179 ( 2.458 0.000 0.297) 2.476 26.354 ( 4.850 0.000 0.203) 4.854 26.441 ( 5.693 0.000 -0.792) 5.748 26.460 ( 14.366 0.000 -9.209) 17.065 27.264 ( -1.080 0.000 2.162) 2.417 27.270 ( 2.542 0.000 -1.663) 3.038 27.700 ( -11.437 0.000 10.718) 15.674 27.834 ( -0.137 0.000 -1.270) 1.277 28.143 ( -5.896 0.000 10.935) 12.423 28.339 ( 2.979 0.000 0.989) 3.139 28.479 ( 1.051 0.000 -9.553) 9.611 28.573 ( 3.295 0.000 6.623) 7.397 29.022 ( -4.074 0.000 4.483) 6.058 29.054 ( -1.057 0.000 -3.465) 3.622 29.192 ( 0.848 0.000 -0.170) 0.865 29.275 ( 3.253 0.000 -0.784) 3.346 31.303 ( -1.632 0.000 -6.145) 6.358 31.428 ( -1.930 0.000 8.149) 8.375 32.034 ( -16.823 0.000 -1.471) 16.887 32.232 ( -18.055 0.000 -2.856) 18.280 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 11.029 0.000 -14.341) 18.091 1.294 ( 15.589 0.000 -12.299) 19.857 1.480 ( 4.727 0.000 8.432) 9.666 1.725 ( 9.173 0.000 7.893) 12.102 1.857 ( 22.977 0.000 -19.445) 30.101 2.321 ( -0.056 0.000 9.998) 9.998 2.511 ( 1.218 0.000 0.112) 1.224 2.536 ( -3.342 0.000 -3.984) 5.200 2.696 ( -0.630 0.000 0.332) 0.712 2.829 ( -2.120 0.000 0.340) 2.148 2.913 ( 3.066 0.000 8.592) 9.123 3.020 ( 9.684 0.000 3.489) 10.294 3.029 ( 2.017 0.000 -4.513) 4.944 3.142 ( -6.000 0.000 -5.930) 8.436 3.192 ( 6.626 0.000 1.653) 6.829 3.240 ( 2.863 0.000 -3.129) 4.242 3.305 ( -0.697 0.000 5.025) 5.073 3.372 ( -4.198 0.000 18.451) 18.922 3.516 ( -0.975 0.000 -4.796) 4.894 3.555 ( -5.611 0.000 -3.125) 6.422 3.685 ( -5.541 0.000 2.546) 6.098 3.714 ( 7.699 0.000 5.402) 9.405 3.815 ( -1.903 0.000 -4.889) 5.247 3.976 ( 2.937 0.000 -0.050) 2.937 4.046 ( -3.062 0.000 7.373) 7.984 4.105 ( 5.965 0.000 -6.125) 8.550 4.294 ( 3.453 0.000 -5.096) 6.156 4.430 ( 10.004 0.000 -3.836) 10.715 4.451 ( 15.049 0.000 5.376) 15.980 4.510 ( -1.136 0.000 1.980) 2.282 4.702 ( 10.787 0.000 -4.872) 11.836 4.795 ( 9.276 0.000 3.712) 9.992 4.822 ( 2.157 0.000 2.097) 3.009 5.021 ( 7.679 0.000 3.487) 8.433 5.101 ( 10.162 0.000 0.825) 10.195 5.277 ( 6.994 0.000 9.525) 11.817 5.434 ( 2.719 0.000 -8.080) 8.525 5.603 ( 15.820 0.000 0.070) 15.820 5.664 ( -2.623 0.000 -1.316) 2.935 5.786 ( 9.970 0.000 0.191) 9.971 5.957 ( 6.706 0.000 3.818) 7.716 5.986 ( 7.224 0.000 -3.786) 8.156 6.064 ( 7.675 0.000 -0.110) 7.676 6.227 ( 0.985 0.000 4.174) 4.289 6.308 ( 8.031 0.000 -0.950) 8.087 6.479 ( -13.612 0.000 -12.852) 18.721 6.575 ( 12.833 0.000 1.471) 12.917 6.720 ( 5.096 0.000 -5.390) 7.418 6.941 ( 8.059 0.000 -4.403) 9.183 7.060 ( 6.181 0.000 1.793) 6.436 7.214 ( 0.739 0.000 3.555) 3.631 7.407 ( 14.992 0.000 4.111) 15.545 7.460 ( 6.576 0.000 -0.474) 6.593 7.621 ( 10.209 0.000 9.836) 14.176 7.714 ( 1.782 0.000 -3.896) 4.284 8.017 ( -4.205 0.000 -1.084) 4.342 8.115 ( -0.102 0.000 1.183) 1.188 8.118 ( -7.264 0.000 -4.060) 8.322 8.592 ( -4.177 0.000 3.883) 5.703 8.599 ( -1.572 0.000 1.990) 2.536 8.641 ( 3.630 0.000 0.370) 3.649 8.801 ( -5.467 0.000 12.143) 13.317 8.950 ( -1.276 0.000 -5.177) 5.332 9.160 ( -4.071 0.000 -2.573) 4.816 9.182 ( 0.271 0.000 -10.960) 10.963 9.551 ( 1.516 0.000 -5.833) 6.027 9.661 ( 0.359 0.000 -0.483) 0.602 9.823 ( 4.429 0.000 2.154) 4.925 9.968 ( -1.793 0.000 -11.548) 11.686 10.007 ( -10.536 0.000 0.608) 10.553 10.090 ( -6.682 0.000 10.095) 12.106 10.119 ( -10.162 0.000 3.427) 10.724 10.848 ( -0.382 0.000 -0.074) 0.389 11.333 ( 0.234 0.000 3.214) 3.222 11.554 ( 12.780 0.000 -4.122) 13.428 11.796 ( 6.175 0.000 3.625) 7.160 12.507 ( -10.272 0.000 3.278) 10.782 12.510 ( -9.559 0.000 -3.306) 10.114 12.813 ( -0.808 0.000 4.548) 4.619 13.130 ( -3.338 0.000 0.510) 3.377 13.328 ( 5.031 0.000 1.668) 5.301 13.341 ( 1.649 0.000 -0.364) 1.689 13.371 ( 0.166 0.000 -5.730) 5.732 13.462 ( -6.125 0.000 -5.116) 7.980 13.633 ( 2.498 0.000 -1.383) 2.855 13.671 ( 0.077 0.000 0.960) 0.963 14.091 ( 3.970 0.000 -4.700) 6.153 14.110 ( 1.385 0.000 -0.793) 1.596 14.303 ( 10.910 0.000 -5.677) 12.299 14.328 ( 2.676 0.000 0.774) 2.786 14.697 ( -5.384 0.000 4.298) 6.889 14.859 ( -5.509 0.000 10.889) 12.203 14.901 ( 8.018 0.000 -2.245) 8.327 15.434 ( 0.268 0.000 -1.608) 1.630 15.553 ( -3.975 0.000 0.197) 3.979 15.696 ( -5.687 0.000 -10.184) 11.664 15.719 ( -3.797 0.000 8.466) 9.278 15.934 ( -6.847 0.000 4.812) 8.369 16.223 ( -9.760 0.000 -2.961) 10.199 16.337 ( -8.396 0.000 -0.036) 8.397 21.117 ( -0.336 0.000 -1.504) 1.541 21.120 ( -2.652 0.000 1.495) 3.045 21.248 ( -0.458 0.000 -2.958) 2.993 21.278 ( -2.582 0.000 2.637) 3.691 24.604 ( -0.967 0.000 0.586) 1.131 24.607 ( -2.221 0.000 -1.679) 2.784 24.745 ( 1.590 0.000 0.021) 1.590 24.767 ( 0.191 0.000 1.691) 1.701 25.288 ( 8.929 0.000 1.908) 9.131 25.376 ( 8.603 0.000 1.248) 8.693 25.532 ( 10.783 0.000 1.935) 10.955 25.816 ( 7.972 0.000 -5.993) 9.974 26.295 ( 7.076 0.000 4.912) 8.614 26.465 ( 6.923 0.000 1.100) 7.010 26.560 ( 7.919 0.000 -1.786) 8.118 26.650 ( 14.955 0.000 -14.673) 20.951 27.237 ( -3.008 0.000 0.564) 3.061 27.316 ( 2.790 0.000 -0.973) 2.955 27.567 ( -11.646 0.000 11.534) 16.391 27.791 ( -3.553 0.000 -0.603) 3.604 28.137 ( -2.741 0.000 7.197) 7.701 28.330 ( -4.912 0.000 5.940) 7.708 28.434 ( 0.963 0.000 -5.945) 6.022 28.694 ( 3.408 0.000 3.060) 4.580 28.970 ( -5.281 0.000 4.450) 6.906 28.980 ( -3.313 0.000 -3.886) 5.106 29.240 ( 3.555 0.000 1.058) 3.709 29.326 ( 3.341 0.000 -1.813) 3.802 31.237 ( -1.260 0.000 -3.885) 4.084 31.424 ( -4.376 0.000 6.169) 7.564 31.740 ( -14.881 0.000 2.263) 15.052 31.793 ( -16.437 0.000 -15.601) 22.662 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 15.851 0.000 -11.761) 19.738 1.517 ( 3.715 0.000 8.100) 8.911 1.698 ( 23.371 0.000 -7.514) 24.550 1.893 ( 4.623 0.000 3.140) 5.589 2.125 ( 13.689 0.000 -2.814) 13.975 2.379 ( 0.570 0.000 6.244) 6.270 2.405 ( -6.144 0.000 -1.860) 6.419 2.451 ( -2.923 0.000 -6.623) 7.239 2.649 ( -1.129 0.000 1.242) 1.678 2.839 ( -3.383 0.000 0.284) 3.395 2.952 ( -0.947 0.000 -1.059) 1.421 2.986 ( -4.563 0.000 -1.165) 4.710 3.050 ( -0.425 0.000 4.223) 4.244 3.090 ( -12.669 0.000 4.845) 13.564 3.129 ( 1.552 0.000 -3.530) 3.856 3.180 ( -8.362 0.000 -0.251) 8.366 3.301 ( -9.841 0.000 5.793) 11.419 3.458 ( 5.265 0.000 4.990) 7.254 3.479 ( 0.896 0.000 -5.439) 5.512 3.532 ( -3.211 0.000 -2.297) 3.948 3.673 ( 6.416 0.000 14.539) 15.892 3.749 ( -1.228 0.000 -3.890) 4.079 3.790 ( -2.335 0.000 0.868) 2.491 4.031 ( -0.181 0.000 -3.162) 3.168 4.105 ( 6.976 0.000 1.576) 7.152 4.168 ( 2.931 0.000 -5.337) 6.089 4.298 ( 0.331 0.000 1.128) 1.175 4.468 ( -2.454 0.000 0.619) 2.531 4.606 ( 11.059 0.000 -2.540) 11.347 4.769 ( 12.153 0.000 -1.726) 12.275 4.793 ( 0.638 0.000 0.085) 0.643 4.861 ( 7.745 0.000 3.135) 8.355 5.093 ( 13.487 0.000 4.411) 14.190 5.171 ( 8.891 0.000 -4.105) 9.793 5.345 ( -4.709 0.000 4.562) 6.556 5.371 ( 13.931 0.000 7.749) 15.941 5.545 ( 12.367 0.000 -7.867) 14.657 5.597 ( -3.038 0.000 -2.377) 3.857 5.883 ( 12.369 0.000 -2.312) 12.583 5.952 ( 7.220 0.000 4.882) 8.716 6.043 ( 4.942 0.000 -0.808) 5.007 6.061 ( 6.732 0.000 -5.653) 8.791 6.152 ( 1.475 0.000 2.943) 3.292 6.228 ( -3.688 0.000 -9.081) 9.802 6.499 ( 13.842 0.000 -0.840) 13.867 6.500 ( 19.383 0.000 4.003) 19.793 6.782 ( 3.962 0.000 0.430) 3.985 6.836 ( 12.463 0.000 0.888) 12.495 7.071 ( 10.178 0.000 -6.568) 12.113 7.238 ( 8.611 0.000 2.295) 8.912 7.346 ( 6.249 0.000 8.235) 10.337 7.486 ( -0.146 0.000 -4.110) 4.113 7.633 ( 6.157 0.000 3.650) 7.158 7.660 ( -0.182 0.000 -7.560) 7.562 7.806 ( 3.679 0.000 4.392) 5.729 7.933 ( -4.533 0.000 1.225) 4.696 8.093 ( 4.334 0.000 0.059) 4.334 8.148 ( 2.689 0.000 0.700) 2.778 8.504 ( -6.508 0.000 3.468) 7.374 8.579 ( -1.068 0.000 1.594) 1.919 8.704 ( 2.967 0.000 -0.714) 3.052 8.796 ( -5.557 0.000 12.145) 13.356 8.894 ( -1.023 0.000 -4.165) 4.289 9.066 ( -4.951 0.000 -1.962) 5.326 9.127 ( 2.518 0.000 -10.607) 10.901 9.425 ( -7.901 0.000 -5.083) 9.395 9.640 ( -3.142 0.000 -0.572) 3.194 9.780 ( -10.485 0.000 -0.002) 10.485 9.879 ( -2.388 0.000 -2.149) 3.213 9.907 ( 0.410 0.000 2.389) 2.424 10.021 ( -0.910 0.000 -3.636) 3.748 10.063 ( -2.877 0.000 4.437) 5.288 10.849 ( 0.101 0.000 3.262) 3.263 11.301 ( -1.954 0.000 -4.437) 4.848 11.768 ( 10.179 0.000 0.556) 10.194 11.919 ( 3.722 0.000 4.903) 6.155 12.344 ( -7.422 0.000 -1.119) 7.506 12.351 ( -8.197 0.000 0.940) 8.251 12.857 ( -0.622 0.000 7.722) 7.747 13.035 ( -5.164 0.000 -2.969) 5.957 13.326 ( 0.554 0.000 -5.474) 5.502 13.350 ( -1.675 0.000 -3.582) 3.955 13.371 ( 0.534 0.000 2.170) 2.235 13.438 ( 3.706 0.000 1.808) 4.124 13.679 ( 3.793 0.000 -3.583) 5.218 13.687 ( -0.564 0.000 4.811) 4.844 14.126 ( 5.841 0.000 -8.018) 9.920 14.161 ( 4.494 0.000 -0.235) 4.500 14.379 ( 1.111 0.000 4.030) 4.180 14.437 ( 7.072 0.000 -4.125) 8.187 14.668 ( -1.448 0.000 3.444) 3.736 14.823 ( -5.567 0.000 7.521) 9.358 15.048 ( 8.371 0.000 -0.419) 8.381 15.405 ( 0.393 0.000 -7.371) 7.382 15.465 ( -4.767 0.000 -0.387) 4.783 15.594 ( 0.103 0.000 -3.247) 3.249 15.673 ( -7.629 0.000 6.764) 10.196 15.840 ( -5.709 0.000 2.322) 6.163 16.016 ( -9.811 0.000 -2.484) 10.121 16.156 ( -10.772 0.000 -0.224) 10.774 21.088 ( -1.486 0.000 0.603) 1.604 21.101 ( -0.371 0.000 -0.995) 1.062 21.220 ( 0.071 0.000 -3.378) 3.378 21.255 ( -2.578 0.000 3.443) 4.301 24.565 ( -1.341 0.000 -0.509) 1.435 24.584 ( -1.300 0.000 -0.027) 1.300 24.756 ( 0.227 0.000 -0.398) 0.458 24.773 ( -0.696 0.000 1.389) 1.554 25.449 ( 6.789 0.000 1.670) 6.992 25.538 ( 7.610 0.000 -0.040) 7.610 25.740 ( 8.661 0.000 3.565) 9.366 25.888 ( 4.431 0.000 -3.867) 5.881 26.481 ( 7.269 0.000 7.674) 10.570 26.607 ( 6.794 0.000 1.517) 6.961 26.693 ( 7.833 0.000 -2.231) 8.144 26.784 ( 11.892 0.000 -15.142) 19.253 27.170 ( -3.752 0.000 -0.852) 3.847 27.319 ( -6.431 0.000 7.754) 10.074 27.477 ( -1.734 0.000 0.012) 1.734 27.704 ( -5.622 0.000 0.891) 5.692 28.140 ( -1.351 0.000 3.833) 4.064 28.283 ( -4.344 0.000 4.711) 6.408 28.440 ( 2.200 0.000 0.044) 2.201 28.731 ( 1.093 0.000 -2.459) 2.691 28.881 ( -3.952 0.000 -4.319) 5.854 28.900 ( -5.521 0.000 3.823) 6.716 29.322 ( 3.591 0.000 1.879) 4.053 29.371 ( 3.114 0.000 -2.234) 3.833 31.205 ( 0.323 0.000 -2.169) 2.193 31.365 ( -5.256 0.000 2.539) 5.837 31.473 ( -7.606 0.000 -11.127) 13.478 31.526 ( -11.152 0.000 4.238) 11.930 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 11.741 0.000 -10.139) 15.513 1.576 ( -1.189 0.000 5.731) 5.853 1.993 ( 6.423 0.000 0.938) 6.491 2.114 ( 23.877 0.000 -8.982) 25.511 2.243 ( 1.945 0.000 -3.269) 3.804 2.332 ( -1.069 0.000 2.290) 2.528 2.442 ( 0.860 0.000 3.428) 3.535 2.460 ( 0.139 0.000 4.723) 4.726 2.631 ( -3.010 0.000 5.706) 6.452 2.721 ( -3.139 0.000 0.023) 3.139 2.831 ( -12.905 0.000 1.150) 12.956 2.868 ( -3.929 0.000 -2.374) 4.590 2.869 ( -9.574 0.000 -1.990) 9.778 3.057 ( -4.172 0.000 3.547) 5.476 3.078 ( -2.126 0.000 -0.337) 2.152 3.174 ( 5.607 0.000 10.995) 12.342 3.239 ( -5.295 0.000 2.823) 6.001 3.476 ( 3.020 0.000 -2.443) 3.884 3.487 ( -3.489 0.000 0.228) 3.496 3.578 ( 5.402 0.000 4.000) 6.722 3.674 ( -4.835 0.000 -9.818) 10.944 3.711 ( 1.361 0.000 -6.222) 6.369 3.780 ( -3.449 0.000 3.724) 5.075 3.963 ( -5.144 0.000 -5.630) 7.626 4.168 ( 3.439 0.000 0.014) 3.439 4.230 ( 4.436 0.000 1.975) 4.856 4.360 ( 2.840 0.000 4.002) 4.907 4.437 ( -1.083 0.000 -0.648) 1.262 4.753 ( 5.043 0.000 -4.635) 6.850 4.814 ( -1.809 0.000 -0.416) 1.856 4.838 ( 4.280 0.000 3.757) 5.695 5.010 ( 3.681 0.000 -2.208) 4.293 5.249 ( 4.769 0.000 -8.307) 9.578 5.276 ( -5.723 0.000 7.725) 9.614 5.363 ( 10.115 0.000 6.241) 11.885 5.526 ( -1.495 0.000 -1.329) 2.001 5.632 ( 4.554 0.000 -8.901) 9.998 5.662 ( 5.900 0.000 9.749) 11.396 5.954 ( 4.342 0.000 -7.555) 8.714 6.063 ( 1.193 0.000 3.387) 3.591 6.170 ( 3.623 0.000 -4.046) 5.431 6.181 ( 2.957 0.000 0.708) 3.041 6.248 ( 10.237 0.000 2.911) 10.642 6.261 ( 12.279 0.000 -1.495) 12.369 6.761 ( 11.667 0.000 2.583) 11.949 6.834 ( 12.957 0.000 1.394) 13.032 6.884 ( 5.669 0.000 3.501) 6.663 6.987 ( 4.812 0.000 -4.426) 6.538 7.184 ( 4.438 0.000 -2.319) 5.008 7.272 ( -2.206 0.000 -4.304) 4.836 7.463 ( 0.631 0.000 4.254) 4.301 7.511 ( 4.480 0.000 -4.337) 6.235 7.648 ( -0.118 0.000 1.381) 1.386 7.699 ( 0.442 0.000 0.374) 0.579 7.886 ( 3.994 0.000 0.660) 4.048 7.900 ( -0.248 0.000 4.524) 4.531 8.182 ( 3.386 0.000 1.417) 3.670 8.203 ( 2.841 0.000 -1.219) 3.091 8.452 ( 0.269 0.000 0.430) 0.507 8.591 ( -0.717 0.000 2.486) 2.587 8.752 ( 3.671 0.000 -3.231) 4.890 8.762 ( -5.747 0.000 8.428) 10.201 8.851 ( -0.791 0.000 -2.136) 2.278 8.948 ( -5.725 0.000 -1.903) 6.033 9.114 ( 3.629 0.000 -7.427) 8.266 9.258 ( -7.005 0.000 -0.895) 7.062 9.554 ( -5.261 0.000 1.640) 5.511 9.596 ( -8.622 0.000 1.062) 8.687 9.859 ( 2.433 0.000 -5.399) 5.922 9.906 ( -3.571 0.000 5.291) 6.383 10.007 ( 1.553 0.000 -2.912) 3.300 10.041 ( -1.326 0.000 -0.068) 1.328 10.923 ( 3.509 0.000 7.298) 8.098 11.205 ( -3.398 0.000 -7.791) 8.499 11.921 ( 6.540 0.000 -0.504) 6.559 12.000 ( 1.052 0.000 4.313) 4.439 12.216 ( -5.653 0.000 0.227) 5.658 12.228 ( -5.078 0.000 -0.744) 5.132 12.886 ( -1.920 0.000 6.451) 6.730 12.936 ( -1.866 0.000 -4.646) 5.006 13.308 ( 0.912 0.000 -2.917) 3.057 13.318 ( -0.164 0.000 -1.494) 1.503 13.406 ( 0.863 0.000 3.314) 3.424 13.475 ( 0.187 0.000 -1.261) 1.275 13.707 ( 3.015 0.000 -5.250) 6.054 13.714 ( -2.251 0.000 7.822) 8.139 14.210 ( 9.756 0.000 -7.884) 12.543 14.257 ( 5.594 0.000 -0.442) 5.611 14.418 ( -1.506 0.000 6.140) 6.322 14.480 ( -0.281 0.000 -1.809) 1.831 14.684 ( 1.207 0.000 1.064) 1.609 14.774 ( -4.116 0.000 3.289) 5.269 15.191 ( 6.476 0.000 1.813) 6.725 15.365 ( 0.970 0.000 -6.791) 6.860 15.399 ( -0.235 0.000 -2.768) 2.778 15.556 ( -9.342 0.000 5.785) 10.988 15.614 ( 2.187 0.000 0.762) 2.315 15.759 ( -3.968 0.000 -1.575) 4.269 15.856 ( -5.484 0.000 0.112) 5.486 15.960 ( -9.541 0.000 -0.157) 9.542 21.075 ( -0.478 0.000 0.583) 0.754 21.088 ( -0.361 0.000 -0.705) 0.792 21.205 ( 1.162 0.000 -3.440) 3.631 21.232 ( -2.672 0.000 3.431) 4.349 24.548 ( -0.506 0.000 0.229) 0.555 24.561 ( -0.875 0.000 -0.461) 0.989 24.756 ( 0.270 0.000 -0.526) 0.591 24.766 ( -0.920 0.000 1.122) 1.451 25.563 ( 3.992 0.000 2.166) 4.542 25.631 ( 3.077 0.000 -2.123) 3.739 25.888 ( 4.748 0.000 2.560) 5.394 25.934 ( 2.887 0.000 -1.841) 3.424 26.657 ( 5.231 0.000 7.118) 8.833 26.718 ( 3.600 0.000 1.713) 3.987 26.804 ( 4.921 0.000 -0.035) 4.921 26.860 ( 8.437 0.000 -14.734) 16.979 27.104 ( -1.314 0.000 -2.777) 3.072 27.213 ( -11.403 0.000 11.038) 15.870 27.489 ( 4.655 0.000 -6.582) 8.062 27.610 ( -6.064 0.000 3.333) 6.920 28.155 ( 0.408 0.000 2.768) 2.798 28.239 ( -3.132 0.000 1.805) 3.615 28.507 ( 3.026 0.000 4.235) 5.205 28.706 ( -1.004 0.000 -6.322) 6.402 28.792 ( -1.255 0.000 -3.376) 3.602 28.833 ( -4.496 0.000 3.343) 5.602 29.388 ( 1.853 0.000 1.837) 2.610 29.404 ( 2.201 0.000 -2.110) 3.049 31.217 ( 2.469 0.000 -1.459) 2.868 31.291 ( -3.448 0.000 0.464) 3.479 31.320 ( -2.732 0.000 -5.538) 6.175 31.383 ( -8.166 0.000 4.427) 9.289 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 5.256 0.000 -7.452) 9.119 1.569 ( -5.256 0.000 7.452) 9.119 2.156 ( -8.741 0.000 -1.822) 8.929 2.156 ( 8.741 0.000 1.822) 8.929 2.346 ( 7.898 0.000 -10.402) 13.061 2.346 ( -7.898 0.000 10.402) 13.061 2.452 ( 1.079 0.000 -0.740) 1.309 2.452 ( -1.079 0.000 0.740) 1.309 2.609 ( -7.515 0.000 1.327) 7.632 2.609 ( 7.515 0.000 -1.327) 7.632 2.754 ( 0.178 0.000 -5.468) 5.471 2.754 ( -0.178 0.000 5.468) 5.471 3.029 ( -14.508 0.000 -4.495) 15.188 3.029 ( 14.508 0.000 4.495) 15.188 3.054 ( -0.014 0.000 -4.892) 4.892 3.054 ( 0.014 0.000 4.892) 4.892 3.365 ( -5.984 0.000 -8.213) 10.162 3.365 ( 5.984 0.000 8.213) 10.162 3.538 ( -2.560 0.000 -5.859) 6.394 3.538 ( 2.560 0.000 5.859) 6.394 3.717 ( 5.118 0.000 -6.952) 8.632 3.717 ( -5.118 0.000 6.952) 8.632 3.767 ( -8.811 0.000 -8.187) 12.027 3.767 ( 8.811 0.000 8.187) 12.027 4.255 ( -3.112 0.000 0.055) 3.112 4.255 ( 3.112 0.000 -0.055) 3.112 4.417 ( 0.037 0.000 -3.413) 3.413 4.417 ( -0.037 0.000 3.413) 3.413 4.770 ( 2.794 0.000 -3.160) 4.218 4.770 ( -2.794 0.000 3.160) 4.218 4.966 ( -4.181 0.000 -4.505) 6.146 4.966 ( 4.181 0.000 4.505) 6.146 5.253 ( 4.120 0.000 -9.914) 10.736 5.253 ( -4.120 0.000 9.914) 10.736 5.509 ( -0.027 0.000 -4.517) 4.517 5.509 ( 0.027 0.000 4.517) 4.517 5.669 ( 7.101 0.000 -5.905) 9.235 5.669 ( -7.101 0.000 5.905) 9.235 6.039 ( -5.099 0.000 0.139) 5.101 6.039 ( 5.099 0.000 -0.139) 5.101 6.199 ( 1.232 0.000 -1.776) 2.161 6.199 ( -1.232 0.000 1.776) 2.161 6.391 ( 0.866 0.000 -3.580) 3.683 6.391 ( -0.866 0.000 3.580) 3.683 6.922 ( -2.308 0.000 -5.639) 6.093 6.922 ( 2.308 0.000 5.639) 6.093 6.990 ( -0.075 0.000 -4.069) 4.070 6.990 ( 0.075 0.000 4.069) 4.070 7.215 ( -0.877 0.000 -1.692) 1.906 7.215 ( 0.877 0.000 1.692) 1.906 7.488 ( -1.109 0.000 -3.051) 3.247 7.488 ( 1.109 0.000 3.051) 3.247 7.684 ( -0.926 0.000 -3.196) 3.327 7.684 ( 0.926 0.000 3.196) 3.327 7.936 ( 0.955 0.000 -2.187) 2.386 7.936 ( -0.955 0.000 2.187) 2.386 8.222 ( 0.946 0.000 -3.406) 3.535 8.222 ( -0.946 0.000 3.406) 3.535 8.523 ( -7.002 0.000 2.102) 7.310 8.523 ( 7.002 0.000 -2.102) 7.310 8.765 ( 1.473 0.000 -6.522) 6.686 8.765 ( -1.473 0.000 6.522) 6.686 8.856 ( -2.743 0.000 -0.074) 2.744 8.856 ( 2.743 0.000 0.074) 2.744 9.155 ( 4.952 0.000 -2.487) 5.541 9.155 ( -4.952 0.000 2.487) 5.541 9.511 ( -0.579 0.000 -0.462) 0.741 9.511 ( 0.579 0.000 0.462) 0.741 9.875 ( 3.967 0.000 -6.078) 7.258 9.875 ( -3.967 0.000 6.078) 7.258 10.019 ( 1.046 0.000 -0.350) 1.103 10.019 ( -1.046 0.000 0.350) 1.103 11.065 ( -4.576 0.000 -8.999) 10.096 11.065 ( 4.576 0.000 8.999) 10.096 12.006 ( 3.548 0.000 -2.342) 4.251 12.006 ( -3.548 0.000 2.342) 4.251 12.166 ( -0.228 0.000 -1.165) 1.187 12.166 ( 0.228 0.000 1.165) 1.187 12.897 ( 1.238 0.000 -5.208) 5.353 12.897 ( -1.238 0.000 5.208) 5.353 13.309 ( 0.418 0.000 -0.293) 0.511 13.309 ( -0.418 0.000 0.293) 0.511 13.447 ( -1.000 0.000 -2.813) 2.985 13.447 ( 1.000 0.000 2.813) 2.985 13.717 ( 3.064 0.000 -6.683) 7.352 13.717 ( -3.064 0.000 6.683) 7.352 14.314 ( 2.950 0.000 -3.177) 4.335 14.314 ( -2.950 0.000 3.177) 4.335 14.429 ( -0.428 0.000 -3.996) 4.019 14.429 ( 0.428 0.000 3.996) 4.019 14.724 ( -2.964 0.000 0.912) 3.101 14.724 ( 2.964 0.000 -0.912) 3.101 15.304 ( -3.135 0.000 -4.000) 5.082 15.304 ( 3.135 0.000 4.000) 5.082 15.441 ( 7.246 0.000 -5.435) 9.058 15.441 ( -7.246 0.000 5.435) 9.058 15.673 ( -3.032 0.000 -2.500) 3.930 15.673 ( 3.032 0.000 2.500) 3.930 15.836 ( -2.912 0.000 -0.452) 2.947 15.836 ( 2.912 0.000 0.452) 2.947 21.078 ( -0.165 0.000 -0.639) 0.660 21.078 ( 0.165 0.000 0.639) 0.660 21.211 ( 2.246 0.000 -3.344) 4.028 21.211 ( -2.246 0.000 3.344) 4.028 24.548 ( -0.145 0.000 -0.500) 0.521 24.548 ( 0.145 0.000 0.500) 0.521 24.759 ( 0.617 0.000 -0.806) 1.015 24.759 ( -0.617 0.000 0.806) 1.015 25.628 ( -0.957 0.000 -2.792) 2.951 25.628 ( 0.957 0.000 2.792) 2.951 25.950 ( -0.338 0.000 -1.557) 1.593 25.950 ( 0.338 0.000 1.557) 1.593 26.750 ( -0.975 0.000 -1.014) 1.407 26.750 ( 0.975 0.000 1.014) 1.407 26.868 ( 2.549 0.000 -10.386) 10.695 26.868 ( -2.549 0.000 10.386) 10.695 27.108 ( 6.689 0.000 -8.047) 10.464 27.108 ( -6.689 0.000 8.047) 10.464 27.536 ( 5.621 0.000 -5.799) 8.076 27.536 ( -5.621 0.000 5.799) 8.076 28.194 ( -1.997 0.000 -1.154) 2.307 28.194 ( 1.997 0.000 1.154) 2.307 28.608 ( -3.271 0.000 -6.521) 7.295 28.608 ( 3.271 0.000 6.521) 7.295 28.789 ( 2.738 0.000 -3.057) 4.104 28.789 ( -2.738 0.000 3.057) 4.104 29.415 ( 0.402 0.000 -1.849) 1.892 29.415 ( -0.402 0.000 1.849) 1.892 31.256 ( 1.332 0.000 -0.633) 1.475 31.256 ( -1.332 0.000 0.633) 1.475 31.292 ( 4.467 0.000 -3.899) 5.929 31.292 ( -4.467 0.000 3.899) 5.929 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 9.808 -3.973 -25.997) 28.069 1.057 ( -9.808 -3.973 25.997) 28.069 1.256 ( -3.862 1.722 -26.072) 26.412 1.256 ( 3.862 1.722 26.072) 26.412 2.019 ( -2.533 -13.154 -15.931) 20.815 2.019 ( 2.533 -13.154 15.931) 20.815 2.327 ( -3.634 2.968 -16.171) 16.837 2.327 ( 3.634 2.968 16.171) 16.837 2.520 ( 1.330 7.142 -9.577) 12.021 2.520 ( -1.330 7.142 9.577) 12.021 2.851 ( -3.544 0.341 -10.479) 11.068 2.851 ( 3.544 0.341 10.479) 11.068 2.992 ( -2.818 -9.999 -7.374) 12.740 2.992 ( 2.818 -9.999 7.374) 12.740 3.131 ( 2.288 3.626 -5.850) 7.253 3.131 ( -2.288 3.626 5.850) 7.253 3.284 ( 2.879 -0.480 -5.016) 5.803 3.284 ( -2.879 -0.480 5.016) 5.803 3.552 ( -0.202 -1.451 -4.464) 4.698 3.552 ( 0.202 -1.451 4.464) 4.698 3.777 ( -9.376 4.602 -8.420) 13.416 3.777 ( 9.376 4.602 8.420) 13.416 3.864 ( 2.842 3.798 -1.776) 5.065 3.864 ( -2.842 3.798 1.776) 5.065 4.149 ( -4.250 0.503 -6.661) 7.917 4.149 ( 4.250 0.503 6.661) 7.917 4.208 ( -4.695 -1.612 -3.529) 6.090 4.208 ( 4.695 -1.612 3.529) 6.090 4.363 ( -6.094 -1.603 -4.523) 7.757 4.363 ( 6.094 -1.603 4.523) 7.757 4.484 ( 3.547 2.233 -2.289) 4.776 4.484 ( -3.547 2.233 2.289) 4.776 4.763 ( -4.673 3.192 -7.648) 9.513 4.763 ( 4.673 3.192 7.648) 9.513 4.996 ( 7.291 -2.473 -3.875) 8.620 4.996 ( -7.291 -2.473 3.875) 8.620 5.345 ( -2.570 3.485 -3.760) 5.735 5.345 ( 2.570 3.485 3.760) 5.735 5.646 ( -4.524 -4.577 1.135) 6.535 5.646 ( 4.524 -4.577 -1.135) 6.535 5.759 ( 1.239 3.084 -4.031) 5.224 5.759 ( -1.239 3.084 4.031) 5.224 6.114 ( -8.075 -2.615 -5.891) 10.332 6.114 ( 8.075 -2.615 5.891) 10.332 6.359 ( -4.382 1.890 -6.870) 8.365 6.359 ( 4.382 1.890 6.870) 8.365 6.477 ( 4.616 5.355 -7.718) 10.467 6.477 ( -4.616 5.355 7.718) 10.467 7.007 ( -3.321 -1.881 -7.186) 8.136 7.007 ( 3.321 -1.881 7.186) 8.136 7.081 ( -5.102 0.713 -3.238) 6.085 7.081 ( 5.102 0.713 3.238) 6.085 7.406 ( -8.825 -6.665 -7.980) 13.638 7.406 ( 8.825 -6.665 7.980) 13.638 7.825 ( -9.226 -5.764 -6.676) 12.763 7.825 ( 9.226 -5.764 6.676) 12.763 8.296 ( 10.373 6.377 -3.699) 12.726 8.296 ( -10.373 6.377 3.699) 12.726 8.579 ( -4.637 4.082 -4.665) 7.741 8.579 ( 4.637 4.082 4.665) 7.741 8.823 ( -0.835 3.434 -5.486) 6.526 8.823 ( 0.835 3.434 5.486) 6.526 9.165 ( -8.233 -5.377 -5.583) 11.308 9.165 ( 8.233 -5.377 5.583) 11.308 9.416 ( 2.645 2.311 -8.133) 8.859 9.416 ( -2.645 2.311 8.133) 8.859 9.512 ( -1.928 -3.292 -4.857) 6.176 9.512 ( 1.928 -3.292 4.857) 6.176 10.113 ( 5.469 -1.333 -15.942) 16.907 10.113 ( -5.469 -1.333 15.942) 16.907 10.418 ( 0.803 2.896 -10.452) 10.876 10.418 ( -0.803 2.896 10.452) 10.876 10.975 ( -5.173 4.055 -3.946) 7.666 10.975 ( 5.173 4.055 3.946) 7.666 11.515 ( -2.775 0.547 -3.119) 4.211 11.515 ( 2.775 0.547 3.119) 4.211 12.750 ( 1.634 -2.305 -6.741) 7.309 12.750 ( -1.634 -2.305 6.741) 7.309 13.085 ( -5.411 -4.329 -5.749) 9.004 13.085 ( 5.411 -4.329 5.749) 9.004 13.246 ( -1.117 0.984 -0.114) 1.493 13.246 ( 1.117 0.984 0.114) 1.493 13.448 ( -2.114 -3.961 -2.673) 5.226 13.448 ( 2.114 -3.961 2.673) 5.226 13.734 ( -4.208 -2.947 -0.820) 5.202 13.734 ( 4.208 -2.947 0.820) 5.202 13.970 ( 4.241 1.387 -5.323) 6.945 13.970 ( -4.241 1.387 5.323) 6.945 14.228 ( -2.752 4.833 0.152) 5.564 14.228 ( 2.752 4.833 -0.152) 5.564 14.758 ( 2.072 -5.674 -9.334) 11.118 14.758 ( -2.072 -5.674 9.334) 11.118 15.055 ( -4.143 -4.406 -8.735) 10.625 15.055 ( 4.143 -4.406 8.735) 10.625 15.778 ( -2.404 9.274 -9.483) 13.480 15.778 ( 2.404 9.274 9.483) 13.480 15.915 ( -0.357 -7.586 -9.123) 11.870 15.915 ( 0.357 -7.586 9.123) 11.870 16.438 ( -0.560 -3.161 -2.310) 3.954 16.438 ( 0.560 -3.161 2.310) 3.954 21.202 ( 1.160 4.227 -3.013) 5.319 21.202 ( -1.160 4.227 3.013) 5.319 21.348 ( -0.577 3.519 -1.904) 4.043 21.348 ( 0.577 3.519 1.904) 4.043 24.659 ( -1.897 1.422 -0.023) 2.371 24.659 ( 1.897 1.422 0.023) 2.371 24.731 ( -1.867 0.254 -2.656) 3.257 24.731 ( 1.867 0.254 2.656) 3.257 25.165 ( -0.592 -0.588 -1.515) 1.730 25.165 ( 0.592 -0.588 1.515) 1.730 25.386 ( -9.761 -1.767 0.918) 9.962 25.386 ( 9.761 -1.767 -0.918) 9.962 26.231 ( -4.574 0.900 -0.340) 4.674 26.231 ( 4.574 0.900 0.340) 4.674 26.369 ( -0.261 -0.746 -1.051) 1.314 26.369 ( 0.261 -0.746 1.051) 1.314 27.273 ( 1.624 1.777 -5.689) 6.177 27.273 ( -1.624 1.777 5.689) 6.177 27.744 ( 3.049 -5.177 -4.994) 7.812 27.744 ( -3.049 -5.177 4.994) 7.812 28.254 ( 2.962 3.094 -4.305) 6.073 28.254 ( -2.962 3.094 4.305) 6.073 28.519 ( 2.850 -0.722 -11.033) 11.419 28.519 ( -2.850 -0.722 11.033) 11.419 29.035 ( -1.603 -0.512 -2.056) 2.657 29.035 ( 1.603 -0.512 2.056) 2.657 29.285 ( 3.581 4.356 -8.379) 10.100 29.285 ( -3.581 4.356 8.379) 10.100 31.332 ( -0.544 -3.367 -5.365) 6.357 31.332 ( 0.544 -3.367 5.365) 6.357 32.363 ( -1.811 3.310 -15.612) 16.061 32.363 ( 1.811 3.310 15.612) 16.061 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 5.103 0.239 -7.611) 9.167 1.182 ( 12.677 1.168 -13.796) 18.772 1.291 ( 19.911 -2.403 -3.406) 20.342 1.600 ( 8.095 9.904 20.008) 23.748 1.812 ( 4.116 3.291 -28.844) 29.321 2.091 ( 1.154 -11.633 4.475) 12.517 2.262 ( 5.264 -13.786 -0.045) 14.757 2.488 ( 6.260 -4.296 5.734) 9.514 2.574 ( 4.384 -1.643 4.749) 6.669 2.687 ( -0.230 2.248 -6.417) 6.803 2.792 ( 1.472 2.057 17.463) 17.645 2.895 ( 3.321 -6.168 -3.537) 7.848 3.026 ( 3.099 0.379 3.408) 4.622 3.075 ( 0.393 -0.693 3.823) 3.905 3.129 ( 2.625 -6.466 0.638) 7.008 3.181 ( 0.101 2.135 -5.886) 6.262 3.295 ( -0.234 -5.993 2.457) 6.482 3.314 ( 4.540 -0.467 -1.726) 4.880 3.484 ( 0.254 -3.994 -5.299) 6.640 3.517 ( -4.333 4.480 2.385) 6.673 3.682 ( 2.560 3.488 3.281) 5.430 3.822 ( -1.648 5.625 -0.596) 5.892 3.916 ( 3.069 6.353 -3.447) 7.853 4.033 ( 7.114 3.815 5.748) 9.910 4.054 ( -2.773 -1.484 -4.811) 5.748 4.123 ( 2.020 3.978 -2.531) 5.129 4.192 ( -3.254 -4.779 -0.148) 5.784 4.296 ( 6.991 -0.211 -4.219) 8.168 4.321 ( 6.573 5.091 0.118) 8.315 4.484 ( 5.876 -0.921 7.293) 9.411 4.533 ( 3.171 2.481 3.890) 5.599 4.655 ( 2.763 3.850 -5.903) 7.569 4.723 ( 11.614 -5.739 7.315) 14.877 4.863 ( 1.450 4.381 -0.287) 4.624 5.028 ( 4.837 -4.035 12.257) 13.780 5.118 ( 6.394 4.457 -3.232) 8.438 5.366 ( 8.879 2.196 -1.660) 9.296 5.460 ( 4.678 0.732 -1.088) 4.858 5.603 ( 1.591 0.005 1.471) 2.167 5.747 ( 2.308 0.859 2.100) 3.236 5.812 ( 4.988 2.232 -0.716) 5.512 5.851 ( 11.195 -0.489 -0.675) 11.226 5.955 ( -2.284 -3.619 -4.440) 6.166 6.231 ( -1.180 -0.730 0.901) 1.654 6.302 ( 4.153 5.801 -2.665) 7.615 6.396 ( 0.832 0.222 3.277) 3.388 6.603 ( 9.886 0.754 -5.302) 11.243 6.642 ( 10.408 -1.230 2.575) 10.792 6.893 ( 1.005 -2.101 -8.404) 8.721 7.027 ( -0.238 1.863 1.594) 2.464 7.117 ( -4.309 -5.915 -4.938) 8.829 7.179 ( 7.053 0.727 6.401) 9.552 7.283 ( 7.555 0.803 1.120) 7.680 7.545 ( -3.017 0.661 -9.877) 10.348 7.609 ( 1.332 -3.746 5.775) 7.011 7.929 ( -1.409 -6.166 4.307) 7.652 8.181 ( -5.088 2.090 1.466) 5.693 8.402 ( -2.405 2.937 -9.742) 10.456 8.486 ( 1.843 1.608 2.205) 3.293 8.687 ( 2.507 5.095 4.002) 6.947 8.701 ( -6.955 2.485 0.947) 7.446 8.829 ( -4.228 2.789 6.847) 8.517 9.042 ( -0.584 -1.397 -4.204) 4.468 9.221 ( -3.868 -2.001 -2.857) 5.209 9.311 ( -6.073 0.795 -3.897) 7.260 9.515 ( 8.610 -4.244 1.624) 9.735 9.555 ( 5.656 1.257 -0.831) 5.853 9.633 ( 5.735 -5.048 2.424) 8.016 10.053 ( -0.628 -1.380 -10.860) 10.965 10.102 ( -5.874 -2.459 7.947) 10.183 10.240 ( -9.844 1.952 -4.736) 11.097 10.318 ( -14.658 1.022 5.874) 15.824 10.941 ( 2.606 8.421 -2.918) 9.285 11.180 ( 10.124 1.131 5.920) 11.782 11.470 ( 1.538 0.372 -4.404) 4.679 11.636 ( 6.675 -0.432 2.890) 7.287 12.665 ( -5.877 -2.662 -3.584) 7.380 12.745 ( -5.043 1.774 4.139) 6.761 12.844 ( -12.201 -2.303 -2.686) 12.703 13.138 ( -3.927 -4.146 5.757) 8.109 13.234 ( 1.923 -0.863 1.675) 2.692 13.273 ( 0.406 -1.843 -0.265) 1.905 13.405 ( 1.982 0.108 -5.886) 6.212 13.489 ( 0.935 -5.331 -0.665) 5.453 13.618 ( -2.841 -2.355 -2.137) 4.264 13.785 ( -3.361 6.666 -0.097) 7.466 13.996 ( 8.183 -5.469 -4.422) 10.790 14.084 ( 7.227 -0.628 -3.372) 8.000 14.199 ( -0.983 6.717 1.740) 7.008 14.305 ( 6.135 3.460 -1.771) 7.263 14.720 ( -0.299 -6.836 -4.046) 7.949 14.784 ( -3.842 -3.789 5.901) 7.996 14.885 ( -3.778 1.420 5.840) 7.099 15.266 ( 5.952 -9.255 5.318) 12.221 15.640 ( -4.834 2.505 -5.103) 7.462 15.776 ( -5.036 -1.259 -6.692) 8.470 15.873 ( -2.529 7.851 7.631) 11.237 15.975 ( -1.646 -5.748 6.446) 8.792 16.353 ( -6.016 -3.557 -3.456) 7.797 16.411 ( -4.613 -3.509 0.228) 5.800 21.186 ( -1.545 4.357 0.914) 4.712 21.201 ( -0.813 4.125 0.127) 4.206 21.308 ( -1.635 2.845 -1.713) 3.701 21.342 ( -2.828 2.913 1.283) 4.258 24.629 ( -0.980 1.413 0.383) 1.762 24.671 ( -0.619 1.502 -1.638) 2.307 24.695 ( 1.869 0.131 -2.371) 3.022 24.775 ( 0.650 1.891 2.437) 3.152 25.165 ( 3.771 0.863 -0.701) 3.931 25.240 ( 5.751 0.582 0.909) 5.851 25.351 ( 5.772 -0.623 -1.218) 5.932 25.592 ( 12.591 -6.102 -5.229) 14.937 26.217 ( 3.317 3.231 1.069) 4.753 26.346 ( 5.254 -0.694 0.424) 5.317 26.431 ( 6.120 -0.900 -1.327) 6.326 26.449 ( 12.467 -0.935 -7.070) 14.363 27.274 ( 2.729 1.049 -4.695) 5.532 27.290 ( -1.108 2.290 4.662) 5.311 27.696 ( -6.986 -1.813 7.053) 10.092 27.748 ( 0.199 -5.921 -2.620) 6.478 28.132 ( -6.904 0.314 6.291) 9.346 28.383 ( 1.957 2.617 2.886) 4.360 28.471 ( 0.745 -1.220 -9.242) 9.351 28.559 ( 1.875 -1.844 7.126) 7.596 28.976 ( -2.396 -0.646 -2.077) 3.236 29.056 ( -0.333 0.328 -2.356) 2.401 29.278 ( 0.161 3.345 -3.346) 4.733 29.298 ( -1.949 2.795 9.265) 9.871 31.274 ( -1.468 -1.934 -4.458) 5.076 31.365 ( -1.299 -4.743 4.839) 6.900 32.088 ( -14.162 5.423 -8.850) 17.558 32.312 ( -17.821 4.794 7.260) 19.831 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 11.532 3.732 -8.822) 14.991 1.333 ( 13.236 3.744 -7.602) 15.716 1.617 ( 12.915 6.829 -0.995) 14.643 1.694 ( 7.082 4.537 -2.695) 8.832 1.947 ( 13.071 5.692 -0.315) 14.260 2.202 ( 4.543 -10.943 6.928) 13.725 2.401 ( 6.954 -12.469 0.081) 14.277 2.566 ( -4.597 -1.197 -4.214) 6.350 2.619 ( 1.689 -6.527 2.148) 7.076 2.669 ( -1.704 -7.388 -1.276) 7.689 2.819 ( -3.171 -8.388 -3.136) 9.500 2.879 ( 4.666 -11.855 -5.701) 13.958 3.046 ( -5.356 -0.237 -0.055) 5.362 3.117 ( -0.796 -3.612 -0.819) 3.788 3.127 ( -2.091 -2.853 1.224) 3.742 3.257 ( 5.681 -2.574 9.889) 11.692 3.290 ( 0.804 -2.058 6.323) 6.698 3.367 ( -0.826 2.727 8.389) 8.859 3.466 ( -0.937 0.267 -3.273) 3.415 3.582 ( 6.638 0.934 -1.660) 6.906 3.733 ( -4.630 3.428 4.822) 7.513 3.784 ( -1.607 7.310 -1.277) 7.592 3.937 ( 3.209 7.426 -3.061) 8.650 3.946 ( -2.359 1.608 -0.511) 2.901 4.131 ( 3.343 -0.855 -5.661) 6.630 4.181 ( 5.828 7.921 4.767) 10.929 4.286 ( 5.218 2.639 3.650) 6.893 4.435 ( 11.503 1.515 -7.108) 13.607 4.457 ( 7.922 -0.488 2.974) 8.476 4.568 ( 1.568 3.778 -0.360) 4.106 4.647 ( 7.301 -3.611 0.637) 8.170 4.782 ( 7.520 0.421 1.246) 7.634 4.900 ( 6.822 5.632 3.135) 9.385 5.010 ( 10.840 -1.936 5.277) 12.211 5.194 ( 8.054 5.183 -1.025) 9.632 5.251 ( 9.121 -0.409 3.998) 9.967 5.465 ( 1.792 3.463 -3.590) 5.300 5.583 ( 12.340 -0.906 0.308) 12.377 5.663 ( 2.071 0.192 -1.451) 2.537 5.826 ( 5.963 2.115 -0.724) 6.368 5.957 ( 5.812 -0.348 -0.838) 5.883 5.980 ( 8.646 0.856 1.449) 8.808 6.041 ( 7.602 -1.520 1.792) 7.956 6.262 ( 6.472 6.115 1.477) 9.026 6.331 ( 4.323 -3.004 -9.803) 11.127 6.480 ( -0.576 2.580 1.633) 3.107 6.616 ( 4.652 3.302 -2.270) 6.140 6.732 ( 5.561 1.443 -6.939) 9.009 6.922 ( 10.290 -0.624 -3.594) 10.917 7.093 ( 5.985 3.275 2.347) 7.215 7.228 ( 0.130 1.606 3.423) 3.783 7.351 ( 15.673 -5.446 1.581) 16.667 7.467 ( 8.121 0.300 1.279) 8.226 7.553 ( 7.754 -3.536 3.475) 9.203 7.717 ( 4.649 -2.383 0.920) 5.304 7.886 ( -4.457 -4.625 0.707) 6.462 8.076 ( -5.740 -0.596 -1.979) 6.101 8.247 ( -6.068 2.943 -1.534) 6.917 8.526 ( -0.847 -5.536 2.092) 5.979 8.593 ( -5.023 2.387 2.382) 6.050 8.732 ( -1.104 5.442 0.303) 5.561 8.821 ( -1.612 0.447 7.152) 7.345 9.028 ( -0.363 4.875 -0.917) 4.974 9.112 ( -3.427 -3.189 -6.062) 7.659 9.192 ( -3.849 -0.333 -1.644) 4.198 9.550 ( -2.858 -3.466 -6.420) 7.836 9.627 ( 2.488 0.536 -3.133) 4.037 9.755 ( 2.809 -7.333 3.127) 8.453 9.939 ( -2.478 -2.776 -6.402) 7.405 10.021 ( -6.157 -3.196 0.387) 6.948 10.071 ( -11.248 2.943 5.291) 12.774 10.091 ( -7.686 -1.617 1.344) 7.969 10.971 ( 1.485 11.610 -0.151) 11.705 11.338 ( 1.339 0.468 3.259) 3.555 11.533 ( 9.965 -1.994 -4.655) 11.177 11.774 ( 5.176 -2.498 3.806) 6.893 12.504 ( -7.153 -0.277 -3.655) 8.037 12.565 ( -11.609 5.139 2.723) 12.985 12.789 ( 0.076 -2.875 4.162) 5.059 13.064 ( -6.525 -7.054 2.218) 9.862 13.289 ( 0.455 -4.768 1.374) 4.983 13.319 ( 5.004 -1.212 0.760) 5.204 13.368 ( -0.754 -0.563 -6.496) 6.564 13.474 ( -1.396 2.243 -0.984) 2.819 13.610 ( 3.418 0.108 -1.735) 3.834 13.740 ( -1.516 6.053 1.547) 6.429 14.070 ( 5.117 -3.474 -7.101) 9.417 14.162 ( 3.831 1.305 -3.407) 5.291 14.233 ( 2.092 1.424 4.238) 4.936 14.413 ( 7.617 4.257 -3.738) 9.493 14.665 ( -3.015 -3.829 1.752) 5.179 14.790 ( -1.973 -3.782 8.147) 9.196 14.944 ( 4.985 2.214 1.490) 5.655 15.347 ( 1.050 -8.817 0.868) 8.921 15.542 ( -1.879 -3.405 -3.748) 5.401 15.620 ( -6.053 2.110 -5.709) 8.584 15.841 ( -6.632 7.042 6.787) 11.817 15.940 ( -6.505 -2.075 5.116) 8.531 16.180 ( -8.984 -3.341 -4.310) 10.510 16.283 ( -8.709 -4.857 -0.663) 9.993 21.160 ( -2.407 3.958 1.794) 4.967 21.173 ( -1.232 4.496 -1.980) 5.065 21.266 ( -1.002 1.783 -2.830) 3.492 21.294 ( -3.137 1.594 2.425) 4.273 24.621 ( -0.796 1.745 -0.160) 1.924 24.628 ( -1.879 2.098 -0.732) 2.910 24.737 ( 2.316 -0.304 -0.348) 2.362 24.787 ( -0.910 1.027 1.588) 2.098 25.293 ( 7.580 0.651 1.798) 7.818 25.395 ( 10.027 1.745 0.205) 10.180 25.515 ( 10.302 -1.574 2.445) 10.705 25.751 ( 9.002 -5.640 -4.565) 11.563 26.341 ( 6.789 3.902 4.714) 9.140 26.465 ( 7.291 0.031 1.197) 7.389 26.554 ( 8.191 -0.456 -1.956) 8.434 26.633 ( 13.912 -1.650 -11.893) 18.377 27.266 ( -2.307 2.570 0.460) 3.484 27.323 ( 3.408 0.978 -1.994) 4.068 27.590 ( -10.380 1.755 8.137) 13.305 27.712 ( -2.324 -6.125 -1.572) 6.737 28.099 ( -2.213 -3.019 6.279) 7.310 28.353 ( -2.477 0.638 -3.618) 4.431 28.434 ( -2.712 0.166 4.145) 4.957 28.690 ( 4.854 -1.678 4.757) 7.000 28.919 ( -1.998 -1.410 -1.767) 3.017 28.993 ( -3.144 1.132 -4.164) 5.340 29.246 ( 0.419 -0.482 -5.121) 5.161 29.340 ( -1.451 0.415 8.775) 8.903 31.221 ( -1.056 -0.933 -2.955) 3.273 31.354 ( -2.839 -5.142 2.553) 6.405 31.771 ( -13.424 5.649 -6.025) 15.762 31.942 ( -20.546 8.706 -0.996) 22.336 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 9.052 -1.953 -7.880) 12.160 1.596 ( 12.452 6.200 2.743) 14.178 1.773 ( 13.639 9.038 -5.601) 17.294 1.861 ( 6.159 -1.061 4.905) 7.944 2.141 ( 5.814 -3.790 0.002) 6.940 2.341 ( 6.394 -2.186 2.720) 7.284 2.401 ( -7.245 -0.107 -3.807) 8.185 2.471 ( 2.869 0.413 -3.131) 4.267 2.607 ( -1.144 -7.028 1.995) 7.395 2.660 ( 0.246 -17.728 2.321) 17.881 2.737 ( -0.944 -4.963 -2.743) 5.749 2.879 ( -4.773 -7.766 -0.714) 9.143 3.017 ( 1.086 -6.088 2.077) 6.524 3.037 ( -5.587 -6.177 -1.321) 8.433 3.081 ( -4.307 -3.306 0.251) 5.435 3.237 ( -7.741 5.309 -0.941) 9.434 3.311 ( -6.802 -3.096 3.877) 8.419 3.416 ( -1.740 2.633 1.184) 3.371 3.438 ( 0.804 -4.790 0.512) 4.884 3.650 ( 2.290 1.960 -4.453) 5.377 3.708 ( 2.615 6.346 10.290) 12.369 3.786 ( -1.432 6.361 2.208) 6.884 3.912 ( -2.955 5.006 0.716) 5.857 4.019 ( 4.843 7.094 0.777) 8.625 4.112 ( 1.228 -2.309 -6.077) 6.616 4.320 ( 5.982 5.585 -1.456) 8.313 4.388 ( 2.305 5.834 3.848) 7.359 4.466 ( -0.788 7.039 -1.676) 7.279 4.617 ( 7.825 -1.947 0.173) 8.065 4.733 ( 12.117 -0.947 -5.555) 13.363 4.768 ( 4.170 -4.927 2.639) 6.974 4.844 ( 2.454 2.492 2.903) 4.545 5.119 ( 10.488 2.655 2.803) 11.176 5.209 ( 7.322 0.558 1.200) 7.440 5.393 ( 11.943 6.280 1.291) 13.555 5.423 ( 5.162 0.063 2.187) 5.607 5.523 ( 8.055 2.389 -2.739) 8.837 5.615 ( -2.294 2.071 -2.919) 4.252 5.856 ( 13.586 -2.649 -0.074) 13.842 5.968 ( 9.925 -0.804 1.667) 10.096 6.015 ( 2.305 -0.047 -3.233) 3.971 6.100 ( 3.116 3.580 -1.072) 4.866 6.130 ( 4.631 0.162 -0.648) 4.678 6.262 ( -1.748 1.026 -3.739) 4.253 6.559 ( 18.763 6.702 0.248) 19.925 6.589 ( 11.976 6.943 3.031) 14.171 6.781 ( 7.335 -0.735 -1.664) 7.557 6.818 ( 9.155 -0.082 0.818) 9.191 7.102 ( 11.723 2.937 -4.922) 13.050 7.258 ( 8.382 1.672 1.040) 8.610 7.335 ( 5.905 -0.180 5.981) 8.407 7.495 ( 2.606 0.130 -2.371) 3.525 7.596 ( 5.055 -1.972 0.347) 5.437 7.684 ( 0.532 -1.100 0.009) 1.221 7.782 ( 2.970 -1.818 0.987) 3.619 7.852 ( 1.473 -5.126 0.223) 5.338 8.010 ( 0.370 -2.997 -0.303) 3.035 8.170 ( -1.349 -2.366 0.623) 2.794 8.466 ( -5.458 -3.372 1.490) 6.587 8.578 ( -0.420 -1.190 3.116) 3.361 8.708 ( -0.720 3.881 0.785) 4.025 8.846 ( -1.113 0.089 5.145) 5.265 8.972 ( -5.026 6.649 -0.387) 8.344 9.027 ( -0.438 -6.267 -7.066) 9.455 9.135 ( -3.099 1.478 0.979) 3.570 9.377 ( -7.586 -2.496 -8.996) 12.029 9.564 ( -6.240 -6.686 -0.843) 9.184 9.770 ( -2.521 -2.784 -1.835) 4.180 9.851 ( -7.216 -1.760 2.584) 7.864 9.921 ( -0.456 0.109 -0.319) 0.567 9.990 ( -1.834 -5.442 3.990) 6.993 10.019 ( -1.903 0.879 -2.424) 3.204 10.999 ( 0.951 13.669 2.714) 13.968 11.325 ( -0.841 2.289 -4.391) 5.023 11.703 ( 8.966 -5.886 -0.486) 10.737 11.880 ( 2.643 -4.277 5.065) 7.137 12.368 ( -5.833 2.241 -1.261) 6.375 12.394 ( -8.457 4.459 0.802) 9.594 12.831 ( -0.403 -3.193 5.522) 6.392 12.956 ( -4.314 -7.847 -2.374) 9.264 13.283 ( -0.340 -3.227 -6.301) 7.088 13.314 ( 0.432 -4.149 3.093) 5.193 13.418 ( 0.991 3.269 -0.132) 3.418 13.448 ( 0.022 2.263 1.222) 2.572 13.673 ( 4.626 0.948 -3.154) 5.679 13.750 ( -0.378 6.121 5.201) 8.041 14.112 ( 6.617 -2.098 -8.182) 10.730 14.210 ( 4.380 3.491 -2.273) 6.045 14.307 ( 1.456 -2.756 5.513) 6.333 14.515 ( 5.969 4.636 -4.303) 8.697 14.655 ( -0.501 -2.172 3.565) 4.204 14.796 ( -3.384 -1.906 6.719) 7.761 15.066 ( 7.065 1.527 0.114) 7.229 15.349 ( 0.824 -6.215 -3.494) 7.177 15.477 ( -4.767 -0.367 -3.465) 5.904 15.521 ( 1.055 -1.726 -1.731) 2.662 15.738 ( -9.198 3.329 5.197) 11.077 15.841 ( -6.717 -1.059 2.965) 7.418 15.981 ( -9.018 -2.046 -3.432) 9.864 16.093 ( -11.058 -5.956 -0.386) 12.566 21.126 ( -1.729 3.537 0.268) 3.946 21.141 ( -1.069 3.720 -0.758) 3.944 21.232 ( -0.159 1.129 -3.331) 3.521 21.264 ( -2.779 0.839 3.382) 4.457 24.589 ( -1.160 2.377 -0.514) 2.695 24.608 ( -1.120 2.311 -0.047) 2.568 24.759 ( 0.613 0.272 -0.474) 0.822 24.780 ( -0.869 0.451 1.415) 1.721 25.436 ( 6.190 -0.716 2.075) 6.568 25.561 ( 7.771 1.265 -2.157) 8.164 25.725 ( 8.553 -1.037 5.010) 9.967 25.864 ( 6.663 -2.077 -3.262) 7.704 26.507 ( 6.252 2.314 6.167) 9.081 26.614 ( 6.810 0.661 2.055) 7.145 26.690 ( 7.912 -0.047 -1.997) 8.160 26.772 ( 10.915 -1.304 -11.890) 16.193 27.209 ( -3.439 3.623 -0.419) 5.013 27.348 ( -2.813 2.656 2.686) 4.710 27.474 ( -3.757 0.088 0.454) 3.785 27.646 ( -4.241 -5.101 0.598) 6.660 28.121 ( -0.795 -2.442 5.559) 6.124 28.287 ( -1.575 -0.407 -3.170) 3.563 28.439 ( -1.179 0.663 7.174) 7.300 28.756 ( 1.150 2.364 -1.714) 3.139 28.867 ( -3.322 -2.240 -2.049) 4.500 28.905 ( -3.361 1.649 -0.270) 3.754 29.243 ( 3.788 -5.765 -5.031) 8.538 29.368 ( -1.311 -2.145 5.141) 5.723 31.197 ( 0.497 -0.360 -1.697) 1.805 31.309 ( -2.696 -3.818 -0.182) 4.677 31.518 ( -9.794 4.821 -4.075) 11.652 31.621 ( -14.103 6.283 0.765) 15.458 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 8.830 -5.305 -4.001) 11.050 1.679 ( -2.774 7.320 1.142) 7.910 1.983 ( 7.421 0.046 1.674) 7.608 2.108 ( 18.506 -1.424 -4.672) 19.140 2.171 ( 0.022 -8.584 -3.055) 9.112 2.301 ( -0.313 -2.212 3.596) 4.233 2.438 ( 1.654 -0.359 2.450) 2.978 2.556 ( -2.383 2.431 1.635) 3.777 2.564 ( -3.027 -3.254 0.975) 4.550 2.665 ( 2.109 3.064 4.691) 5.987 2.683 ( -4.624 -9.419 -1.146) 10.555 2.847 ( 2.135 -7.783 -0.210) 8.073 2.952 ( -4.232 -2.069 0.003) 4.711 2.990 ( -3.338 -1.228 1.259) 3.773 3.036 ( 0.079 -4.359 -2.786) 5.174 3.132 ( -2.814 3.423 1.631) 4.722 3.159 ( -5.413 -5.783 4.442) 9.082 3.367 ( -4.961 -3.128 0.711) 5.908 3.477 ( 0.163 -2.193 3.308) 3.972 3.628 ( -0.336 -2.792 -7.858) 8.346 3.718 ( -2.553 4.397 -4.975) 7.114 3.805 ( -1.779 8.224 -1.445) 8.537 3.865 ( -1.059 6.140 6.438) 8.959 4.012 ( -1.851 7.250 -3.396) 8.217 4.185 ( 5.142 0.107 3.235) 6.076 4.358 ( -0.041 -6.952 -2.004) 7.236 4.436 ( 2.417 15.152 0.329) 15.347 4.490 ( 1.821 12.865 1.620) 13.094 4.721 ( 4.850 -2.981 -3.273) 6.567 4.808 ( 2.125 -0.960 1.074) 2.567 4.834 ( 0.819 -1.539 1.821) 2.521 4.943 ( 3.254 -2.604 -1.345) 4.379 5.284 ( 6.105 3.636 -2.670) 7.591 5.301 ( 0.005 1.595 8.075) 8.231 5.498 ( 3.913 11.933 -0.143) 12.559 5.532 ( 1.130 -1.289 -3.246) 3.671 5.562 ( 2.405 -4.586 -3.507) 6.254 5.676 ( 4.733 1.458 4.421) 6.639 5.995 ( 4.439 3.814 -5.937) 8.336 6.079 ( 2.152 0.726 4.097) 4.684 6.159 ( 5.843 0.748 -0.149) 5.893 6.193 ( 8.944 -0.857 -0.200) 8.987 6.218 ( 8.075 -3.414 -2.106) 9.016 6.263 ( 2.676 2.274 0.834) 3.609 6.805 ( 7.543 2.504 4.437) 9.103 6.851 ( 10.354 0.617 -2.165) 10.596 6.924 ( 8.736 4.999 2.429) 10.354 6.982 ( 7.543 1.519 -2.174) 7.995 7.248 ( 5.274 4.996 -1.466) 7.411 7.301 ( -0.948 2.644 -4.958) 5.698 7.450 ( 4.942 -0.111 0.307) 4.953 7.551 ( 2.210 2.986 -0.195) 3.720 7.645 ( -1.001 -0.293 0.241) 1.070 7.676 ( -0.458 -2.398 1.360) 2.795 7.823 ( 2.028 -5.642 2.821) 6.626 7.886 ( 2.075 -0.140 1.058) 2.333 8.077 ( 4.917 -6.375 1.979) 8.291 8.203 ( 3.045 -4.344 -1.915) 5.640 8.400 ( -1.019 -3.609 -0.421) 3.773 8.567 ( -4.318 -3.129 2.698) 5.976 8.732 ( 2.112 1.487 1.578) 3.027 8.856 ( -3.381 1.973 4.499) 5.963 8.885 ( -0.117 3.779 -2.791) 4.699 8.981 ( -0.124 -4.016 -2.472) 4.718 9.067 ( -3.567 2.129 -3.030) 5.142 9.183 ( -7.597 -5.669 -3.923) 10.259 9.465 ( -3.019 -6.478 0.452) 7.161 9.613 ( -10.166 -0.980 1.781) 10.367 9.837 ( 2.263 -2.929 -1.856) 4.141 9.916 ( -0.921 1.983 -0.021) 2.186 9.979 ( -0.734 -1.585 -0.274) 1.768 10.000 ( -0.076 -3.692 0.943) 3.811 11.059 ( 2.199 12.318 5.634) 13.723 11.256 ( -1.822 4.796 -7.122) 8.778 11.837 ( 6.108 -7.385 -0.664) 9.606 11.938 ( -0.519 -6.279 4.345) 7.653 12.267 ( -4.387 4.010 -0.138) 5.945 12.274 ( -4.269 5.133 -0.846) 6.730 12.844 ( -2.853 -4.545 7.095) 8.896 12.889 ( 0.457 -4.756 -6.637) 8.178 13.267 ( 2.549 -2.133 -3.380) 4.741 13.350 ( -0.242 -2.992 4.047) 5.038 13.385 ( -1.440 2.451 -0.867) 2.972 13.456 ( -1.055 -1.755 -0.324) 2.073 13.723 ( 3.955 2.533 -4.364) 6.411 13.775 ( -2.671 5.953 6.911) 9.505 14.212 ( 10.022 0.403 -6.932) 12.193 14.294 ( 6.191 2.743 -1.694) 6.980 14.355 ( -1.373 -3.687 6.468) 7.570 14.538 ( -0.946 3.824 -3.234) 5.097 14.688 ( 1.108 -0.431 3.107) 3.327 14.774 ( -2.754 0.131 2.555) 3.759 15.194 ( 5.952 0.229 1.599) 6.167 15.335 ( 0.589 -3.173 -3.995) 5.136 15.409 ( 1.108 1.092 -3.907) 4.205 15.538 ( -1.227 -2.294 1.106) 2.826 15.616 ( -5.016 -0.121 3.217) 5.961 15.747 ( -5.167 -2.003 0.482) 5.562 15.813 ( -6.276 -2.374 -1.663) 6.913 15.893 ( -9.869 -6.354 0.400) 11.745 21.107 ( -0.557 3.010 0.151) 3.065 21.120 ( -0.862 2.980 -0.300) 3.117 21.214 ( 1.021 0.842 -3.364) 3.615 21.239 ( -2.675 0.614 3.360) 4.338 24.574 ( -0.410 2.578 0.197) 2.618 24.587 ( -0.771 2.539 -0.510) 2.702 24.763 ( 0.385 0.526 -0.569) 0.866 24.774 ( -0.902 0.564 1.192) 1.598 25.549 ( 3.949 -0.881 2.898) 4.977 25.635 ( 2.844 -0.113 -3.700) 4.668 25.886 ( 4.867 0.259 4.257) 6.471 25.944 ( 4.072 0.695 -2.470) 4.813 26.650 ( 4.639 -0.462 4.286) 6.333 26.720 ( 2.686 -0.095 1.542) 3.098 26.808 ( 5.045 0.751 1.403) 5.290 26.858 ( 7.584 -0.237 -10.495) 12.950 27.150 ( -1.166 4.315 -2.675) 5.208 27.250 ( -9.905 3.659 7.657) 13.043 27.476 ( 4.713 -1.306 -6.955) 8.502 27.574 ( -5.009 -3.457 3.436) 6.989 28.152 ( 0.083 -0.868 4.805) 4.884 28.243 ( -1.334 0.028 -2.252) 2.618 28.499 ( 1.421 0.051 7.819) 7.947 28.716 ( -1.770 1.306 -8.379) 8.663 28.799 ( -0.314 0.522 -2.153) 2.238 28.854 ( -3.920 2.124 3.017) 5.383 29.296 ( 4.545 -7.823 -3.066) 9.553 29.370 ( -1.687 -4.683 2.853) 5.737 31.215 ( 2.591 0.030 -1.146) 2.833 31.270 ( -0.390 -1.450 -1.188) 1.914 31.351 ( -6.063 2.931 -1.661) 6.936 31.420 ( -9.319 2.753 2.096) 9.941 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -2.075 -0.665 -4.262) 4.787 1.569 ( 2.075 -0.665 4.262) 4.787 2.120 ( -2.807 -4.791 -2.786) 6.212 2.120 ( 2.807 -4.791 2.786) 6.212 2.298 ( 6.485 -4.766 -7.392) 10.928 2.298 ( -6.485 -4.766 7.392) 10.928 2.489 ( -2.733 2.923 -3.768) 5.496 2.489 ( 2.733 2.923 3.768) 5.496 2.558 ( -1.815 0.158 -0.843) 2.008 2.558 ( 1.815 0.158 0.843) 2.008 2.804 ( -6.321 -2.147 -1.698) 6.888 2.804 ( 6.321 -2.147 1.698) 6.888 2.964 ( -5.578 -1.833 -4.699) 7.521 2.964 ( 5.578 -1.833 4.699) 7.521 3.041 ( 1.774 -2.121 -4.608) 5.374 3.041 ( -1.774 -2.121 4.608) 5.374 3.252 ( -4.975 -5.089 -4.150) 8.239 3.252 ( 4.975 -5.089 4.150) 8.239 3.522 ( -0.896 -2.722 -8.101) 8.593 3.522 ( 0.896 -2.722 8.101) 8.593 3.711 ( 1.211 4.125 -2.731) 5.093 3.711 ( -1.211 4.125 2.731) 5.093 3.940 ( -1.075 9.272 -7.508) 11.979 3.940 ( 1.075 9.272 7.508) 11.979 4.298 ( -4.041 -2.247 -3.045) 5.536 4.298 ( 4.041 -2.247 3.045) 5.536 4.489 ( -1.958 12.527 -0.759) 12.702 4.489 ( 1.958 12.527 0.759) 12.702 4.786 ( 3.026 -0.022 -3.267) 4.453 4.786 ( -3.026 -0.022 3.267) 4.453 4.910 ( -3.291 -3.213 -3.265) 5.641 4.910 ( 3.291 -3.213 3.265) 5.641 5.325 ( 3.617 5.832 -7.929) 10.486 5.325 ( -3.617 5.832 7.929) 10.486 5.520 ( -1.997 -0.751 0.054) 2.134 5.520 ( 1.997 -0.751 -0.054) 2.134 5.662 ( 2.521 1.440 -3.913) 4.873 5.662 ( -2.521 1.440 3.913) 4.873 6.065 ( 0.141 2.943 -2.180) 3.665 6.065 ( -0.141 2.943 2.180) 3.665 6.228 ( -0.288 2.214 -1.589) 2.741 6.228 ( 0.288 2.214 1.589) 2.741 6.331 ( 1.497 -5.100 -3.933) 6.612 6.331 ( -1.497 -5.100 3.933) 6.612 6.916 ( -0.030 -0.659 -5.480) 5.520 6.916 ( 0.030 -0.659 5.480) 5.520 7.036 ( 0.325 4.018 -4.260) 5.865 7.036 ( -0.325 4.018 4.260) 5.865 7.276 ( 0.815 5.586 -1.533) 5.849 7.276 ( -0.815 5.586 1.533) 5.849 7.513 ( -2.477 2.949 -1.278) 4.058 7.513 ( 2.477 2.949 1.278) 4.058 7.660 ( -0.725 -2.541 -2.528) 3.657 7.660 ( 0.725 -2.541 2.528) 3.657 7.897 ( -1.413 -2.809 -2.358) 3.930 7.897 ( 1.413 -2.809 2.358) 3.930 8.180 ( -2.020 -4.499 -4.834) 6.906 8.180 ( 2.020 -4.499 4.834) 6.906 8.459 ( 0.177 -5.331 -2.755) 6.003 8.459 ( -0.177 -5.331 2.755) 6.003 8.793 ( -2.656 1.296 -1.749) 3.434 8.793 ( 2.656 1.296 1.749) 3.434 8.939 ( -2.717 7.593 -4.400) 9.187 8.939 ( 2.717 7.593 4.400) 9.187 9.048 ( -0.309 -9.831 -2.390) 10.122 9.048 ( 0.309 -9.831 2.390) 10.122 9.480 ( -4.623 -3.180 0.660) 5.650 9.480 ( 4.623 -3.180 -0.659) 5.650 9.877 ( 2.490 -0.003 -5.785) 6.299 9.877 ( -2.490 -0.003 5.785) 6.299 9.990 ( -0.739 -2.269 -0.669) 2.478 9.990 ( 0.739 -2.269 0.669) 2.478 11.157 ( -2.283 8.476 -7.938) 11.835 11.157 ( 2.283 8.476 7.938) 11.835 11.920 ( 2.432 -7.496 -3.666) 8.692 11.920 ( -2.432 -7.496 3.666) 8.692 12.227 ( -0.266 5.238 -0.061) 5.245 12.227 ( 0.266 5.238 0.061) 5.245 12.856 ( 1.732 -4.160 -7.535) 8.780 12.856 ( -1.732 -4.160 7.535) 8.780 13.312 ( 4.034 -0.108 -1.983) 4.497 13.312 ( -4.034 -0.108 1.983) 4.497 13.415 ( -2.234 -2.785 -1.345) 3.815 13.415 ( 2.234 -2.785 1.345) 3.815 13.758 ( 3.845 4.431 -5.688) 8.171 13.758 ( -3.845 4.431 5.688) 8.171 14.321 ( 5.563 0.224 -6.372) 8.461 14.321 ( -5.563 0.224 6.372) 8.461 14.437 ( -5.895 1.450 -1.865) 6.350 14.437 ( 5.895 1.450 1.865) 6.350 14.735 ( -0.347 0.584 -2.509) 2.599 14.735 ( 0.347 0.584 2.509) 2.599 15.294 ( -2.455 -0.925 -3.321) 4.232 15.294 ( 2.455 -0.925 3.321) 4.232 15.457 ( 6.055 1.078 -4.534) 7.641 15.457 ( -6.055 1.078 4.534) 7.641 15.650 ( -4.084 -2.657 -1.536) 5.109 15.650 ( 4.084 -2.657 1.536) 5.109 15.772 ( -0.770 -5.449 -0.825) 5.564 15.772 ( 0.770 -5.449 0.825) 5.564 21.106 ( 0.300 2.755 -1.090) 2.978 21.106 ( -0.300 2.755 1.090) 2.978 21.219 ( 2.137 0.660 -3.280) 3.970 21.219 ( -2.137 0.660 3.280) 3.970 24.574 ( -0.063 2.629 -0.608) 2.699 24.574 ( 0.063 2.629 0.608) 2.699 24.767 ( 0.668 0.615 -0.924) 1.295 24.767 ( -0.668 0.615 0.924) 1.295 25.621 ( -1.049 -0.621 -3.729) 3.923 25.621 ( 1.049 -0.621 3.729) 3.923 25.962 ( -0.269 1.080 -2.995) 3.195 25.962 ( 0.269 1.080 2.995) 3.195 26.730 ( -0.635 -1.612 -1.965) 2.620 26.730 ( 0.635 -1.612 1.965) 2.620 26.880 ( 1.878 1.053 -8.130) 8.410 26.880 ( -1.878 1.053 8.130) 8.410 27.151 ( 5.446 4.160 -8.624) 11.015 27.151 ( -5.446 4.160 8.624) 11.015 27.517 ( 5.086 -2.046 -6.156) 8.243 27.517 ( -5.086 -2.046 6.156) 8.243 28.197 ( -0.868 0.072 -4.039) 4.132 28.197 ( 0.868 0.072 4.039) 4.132 28.602 ( -2.811 -0.011 -8.543) 8.994 28.602 ( 2.811 -0.011 8.543) 8.994 28.811 ( 2.896 1.992 -2.717) 4.443 28.811 ( -2.896 1.992 2.717) 4.443 29.347 ( 2.431 -6.791 -3.884) 8.192 29.347 ( -2.431 -6.791 3.884) 8.192 31.264 ( -2.943 0.812 -0.032) 3.053 31.264 ( 2.943 0.812 0.032) 3.053 31.300 ( 0.857 0.804 -2.477) 2.742 31.300 ( -0.857 0.804 2.477) 2.742 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.297 5.175 -17.252) 18.774 1.066 ( -5.297 5.175 17.252) 18.774 1.267 ( -5.037 -0.200 -15.082) 15.902 1.267 ( 5.037 -0.200 15.082) 15.902 1.665 ( -4.283 -19.385 -4.924) 20.454 1.665 ( 4.283 -19.385 4.924) 20.454 2.352 ( -3.237 0.868 -9.838) 10.394 2.352 ( 3.237 0.868 9.838) 10.394 2.696 ( 2.704 -2.098 -3.666) 5.015 2.696 ( -2.704 -2.098 3.666) 5.015 2.767 ( 5.880 -3.510 -11.358) 13.263 2.767 ( -5.880 -3.510 11.358) 13.263 2.833 ( 0.611 -2.034 -7.653) 7.943 2.833 ( -0.611 -2.034 7.653) 7.943 3.248 ( -3.315 7.362 -4.456) 9.222 3.248 ( 3.315 7.362 4.456) 9.222 3.343 ( -2.516 5.662 0.232) 6.200 3.343 ( 2.516 5.662 -0.232) 6.200 3.525 ( -4.990 -0.336 -3.438) 6.069 3.525 ( 4.990 -0.336 3.438) 6.069 3.853 ( -6.548 2.669 -2.549) 7.516 3.853 ( 6.548 2.669 2.549) 7.516 3.909 ( -5.661 2.368 -6.582) 8.998 3.909 ( 5.661 2.368 6.582) 8.998 4.105 ( -3.414 -2.450 -5.630) 7.026 4.105 ( 3.414 -2.450 5.630) 7.026 4.275 ( -4.851 2.565 -2.632) 6.085 4.275 ( 4.851 2.565 2.632) 6.085 4.313 ( -4.904 -2.710 -7.781) 9.589 4.313 ( 4.904 -2.710 7.781) 9.589 4.515 ( -0.090 1.706 -6.078) 6.314 4.515 ( 0.090 1.706 6.078) 6.314 4.797 ( -2.313 0.864 -9.941) 10.243 4.797 ( 2.313 0.864 9.941) 10.243 4.958 ( -7.666 -1.924 1.570) 8.058 4.958 ( 7.666 -1.924 -1.570) 8.058 5.426 ( -1.192 4.140 -3.765) 5.721 5.426 ( 1.192 4.140 3.765) 5.721 5.555 ( 3.438 -4.094 -2.964) 6.113 5.555 ( -3.438 -4.094 2.964) 6.113 5.825 ( -0.030 4.242 -3.619) 5.576 5.825 ( 0.030 4.242 3.619) 5.576 6.033 ( -3.951 -5.305 -4.750) 8.143 6.033 ( 3.951 -5.305 4.750) 8.143 6.450 ( -1.173 6.700 -6.844) 9.649 6.450 ( 1.173 6.700 6.844) 9.649 6.585 ( 3.855 4.917 -5.323) 8.208 6.585 ( -3.855 4.917 5.323) 8.208 6.982 ( -3.706 -0.832 -7.975) 8.833 6.982 ( 3.706 -0.832 7.975) 8.833 7.048 ( 0.062 -4.234 -3.419) 5.442 7.048 ( -0.062 -4.234 3.419) 5.442 7.353 ( -4.137 1.095 -4.055) 5.895 7.353 ( 4.137 1.095 4.055) 5.895 7.732 ( -3.316 -4.135 -6.729) 8.566 7.732 ( 3.316 -4.135 6.729) 8.566 8.426 ( 6.088 6.096 -5.772) 10.371 8.426 ( -6.088 6.096 5.772) 10.371 8.593 ( -4.733 -1.232 -4.790) 6.845 8.593 ( 4.733 -1.232 4.790) 6.845 8.915 ( 3.863 4.444 -9.048) 10.796 8.915 ( -3.863 4.444 9.048) 10.796 9.073 ( -10.278 -2.050 -2.058) 10.680 9.073 ( 10.278 -2.050 2.058) 10.680 9.359 ( -5.701 -9.291 -5.798) 12.346 9.359 ( 5.701 -9.291 5.798) 12.346 9.427 ( -4.021 -2.751 -2.546) 5.497 9.427 ( 4.021 -2.751 2.546) 5.497 10.125 ( 5.586 3.105 -12.659) 14.181 10.125 ( -5.586 3.105 12.659) 14.181 10.442 ( 2.969 -1.715 -10.136) 10.701 10.442 ( -2.969 -1.715 10.136) 10.701 11.072 ( -1.254 5.341 -2.597) 6.070 11.072 ( 1.254 5.341 2.597) 6.070 11.518 ( -2.531 -0.497 -0.674) 2.667 11.518 ( 2.531 -0.497 0.674) 2.667 12.700 ( 0.530 -1.662 -6.683) 6.907 12.700 ( -0.530 -1.662 6.683) 6.907 13.019 ( -1.992 -2.742 -2.937) 4.484 13.019 ( 1.992 -2.742 2.937) 4.484 13.261 ( -3.469 0.153 -0.142) 3.475 13.261 ( 3.469 0.153 0.142) 3.475 13.408 ( 2.035 1.091 -3.822) 4.465 13.408 ( -2.035 1.091 3.822) 4.465 13.622 ( 9.557 -7.407 -3.317) 12.538 13.622 ( -9.557 -7.407 3.317) 12.538 14.043 ( 4.840 4.454 -5.806) 8.773 14.043 ( -4.840 4.454 5.806) 8.773 14.318 ( 0.870 4.637 -2.008) 5.128 14.318 ( -0.870 4.637 2.008) 5.128 14.632 ( 0.488 -6.930 -6.009) 9.185 14.632 ( -0.488 -6.930 6.009) 9.185 15.042 ( -1.636 2.451 -6.615) 7.242 15.042 ( 1.636 2.451 6.615) 7.242 15.686 ( -2.712 -10.234 -8.583) 13.629 15.686 ( 2.712 -10.234 8.583) 13.629 15.984 ( -0.764 7.146 -5.782) 9.224 15.984 ( 0.764 7.146 5.782) 9.224 16.379 ( -0.264 -2.828 -2.443) 3.746 16.379 ( 0.264 -2.828 2.443) 3.746 21.274 ( 0.935 2.891 -1.735) 3.499 21.274 ( -0.935 2.891 1.735) 3.499 21.417 ( 0.036 2.997 -1.235) 3.241 21.417 ( -0.036 2.997 1.235) 3.241 24.687 ( -1.581 1.282 -0.476) 2.091 24.687 ( 1.581 1.282 0.476) 2.091 24.736 ( -1.822 0.242 -2.632) 3.210 24.736 ( 1.822 0.242 2.632) 3.210 25.155 ( -0.119 -0.434 -1.069) 1.160 25.155 ( 0.119 -0.434 1.069) 1.160 25.355 ( -4.471 -1.257 0.350) 4.657 25.355 ( 4.471 -1.257 -0.350) 4.657 26.252 ( -1.330 1.164 0.031) 1.768 26.252 ( 1.330 1.164 -0.031) 1.768 26.353 ( 0.203 -0.828 -1.343) 1.591 26.353 ( -0.203 -0.828 1.343) 1.591 27.324 ( 1.634 3.153 -6.568) 7.466 27.324 ( -1.634 3.153 6.568) 7.466 27.644 ( 0.429 -4.820 -4.142) 6.370 27.644 ( -0.429 -4.820 4.142) 6.370 28.315 ( -3.876 3.192 -1.951) 5.387 28.315 ( 3.876 3.192 1.951) 5.387 28.483 ( 2.898 -2.826 -10.288) 11.056 28.483 ( -2.898 -2.826 10.288) 11.056 29.050 ( -1.154 1.502 -1.544) 2.444 29.050 ( 1.154 1.502 1.544) 2.444 29.338 ( 2.583 1.175 -7.817) 8.316 29.338 ( -2.583 1.175 7.817) 8.316 31.289 ( -0.323 -1.056 -2.077) 2.352 31.289 ( 0.323 -1.056 2.077) 2.352 32.404 ( -0.264 0.939 -11.485) 11.526 32.404 ( 0.264 0.939 11.485) 11.526 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 7.690 5.360 0.173) 9.375 1.266 ( 12.654 7.411 -10.626) 18.110 1.315 ( 21.946 5.789 -4.007) 23.048 1.630 ( 8.656 -15.026 -5.427) 18.170 1.672 ( 17.878 -4.098 16.858) 24.912 1.830 ( 10.471 -17.953 2.540) 20.938 2.162 ( -5.673 4.962 -15.237) 17.000 2.436 ( 1.019 -2.268 0.189) 2.494 2.604 ( -3.879 -4.817 -5.131) 8.036 2.612 ( -4.890 -4.101 -0.696) 6.420 2.674 ( -1.114 -4.112 -3.729) 5.662 2.808 ( -2.211 -9.228 4.787) 10.628 2.932 ( 4.781 -4.312 4.797) 8.029 2.985 ( 4.441 -5.599 9.828) 12.151 3.160 ( -4.541 4.988 -1.177) 6.848 3.293 ( -3.469 4.274 1.431) 5.687 3.332 ( -3.344 11.280 0.339) 11.770 3.365 ( 4.622 4.817 -3.086) 7.354 3.455 ( 4.168 0.733 -2.598) 4.965 3.597 ( 0.069 3.246 2.339) 4.002 3.756 ( 0.909 3.938 2.376) 4.689 3.863 ( 1.620 -1.536 -1.583) 2.737 3.987 ( 1.688 2.658 -0.151) 3.153 4.015 ( 0.087 -1.089 -2.978) 3.172 4.098 ( -0.758 -1.719 -4.845) 5.196 4.149 ( 8.321 4.636 3.706) 10.221 4.236 ( 4.793 4.300 -0.489) 6.458 4.294 ( 7.333 1.232 1.407) 7.568 4.378 ( 3.206 -0.791 2.315) 4.033 4.483 ( 5.564 3.164 -1.451) 6.563 4.535 ( 5.381 -11.106 3.638) 12.866 4.612 ( 7.446 2.997 1.062) 8.096 4.761 ( 5.240 5.421 -1.595) 7.706 4.891 ( -1.467 -3.013 9.588) 10.157 4.995 ( 8.629 2.000 3.139) 9.398 5.134 ( 10.248 -2.567 -0.861) 10.600 5.428 ( 6.232 3.244 0.007) 7.026 5.505 ( 2.898 2.610 -1.534) 4.191 5.607 ( 7.157 1.154 2.719) 7.743 5.712 ( 10.690 -2.799 -1.197) 11.115 5.839 ( 3.326 1.778 1.252) 3.974 5.865 ( 2.847 1.767 -4.699) 5.771 5.962 ( 1.987 1.743 -2.645) 3.739 6.130 ( 5.838 -7.649 -1.458) 9.732 6.406 ( -0.120 6.252 -2.192) 6.626 6.497 ( 1.359 7.893 1.068) 8.080 6.621 ( 2.971 -0.454 -2.670) 4.021 6.644 ( 8.182 0.857 -2.569) 8.618 6.890 ( 0.570 1.161 -6.909) 7.029 7.005 ( 2.934 -5.236 -2.731) 6.594 7.077 ( 2.308 3.307 3.598) 5.405 7.183 ( 10.279 -1.038 5.211) 11.571 7.325 ( 0.890 3.845 1.182) 4.119 7.486 ( 5.399 -4.346 2.045) 7.226 7.607 ( -3.654 1.678 -4.329) 5.909 7.805 ( -0.546 -7.611 5.554) 9.438 8.313 ( -8.645 10.735 1.833) 13.905 8.418 ( -3.169 0.624 -7.602) 8.259 8.476 ( -4.494 -2.283 1.919) 5.394 8.691 ( 2.221 -3.810 2.202) 4.929 8.802 ( -8.821 6.609 1.764) 11.163 8.903 ( -3.653 3.405 5.113) 7.147 8.985 ( 1.342 -2.440 -0.544) 2.837 9.173 ( -7.234 -6.235 -0.674) 9.574 9.308 ( -4.101 -0.272 -3.060) 5.124 9.367 ( 12.321 -4.869 -2.278) 13.443 9.495 ( 2.276 -7.400 -0.015) 7.742 9.532 ( 7.691 -6.627 1.798) 10.310 10.060 ( -8.311 3.504 4.284) 9.986 10.108 ( -0.156 2.614 -6.194) 6.725 10.286 ( -8.905 0.431 -8.158) 12.084 10.313 ( -14.655 -1.484 5.051) 15.572 11.116 ( 6.333 8.291 -1.640) 10.561 11.209 ( 8.229 1.604 2.816) 8.844 11.476 ( -0.397 0.722 -0.642) 1.045 11.605 ( 4.706 -3.256 0.904) 5.794 12.624 ( -2.905 -0.312 -6.471) 7.100 12.708 ( -2.103 -3.476 2.911) 4.998 12.883 ( -11.856 3.530 1.266) 12.435 13.029 ( -4.988 -5.902 4.019) 8.710 13.210 ( 0.295 -1.974 1.422) 2.451 13.221 ( -3.465 -2.661 0.750) 4.433 13.403 ( -0.769 0.372 -0.516) 0.998 13.475 ( 3.841 2.867 -0.418) 4.811 13.560 ( 1.753 -2.845 -0.228) 3.350 13.794 ( 9.911 -8.892 -4.229) 13.971 13.975 ( -5.004 7.545 4.728) 10.214 14.117 ( 5.471 1.930 -4.258) 7.196 14.301 ( -0.699 3.350 1.315) 3.666 14.383 ( 5.755 4.868 -1.832) 7.757 14.580 ( -1.917 -6.670 -0.310) 6.947 14.699 ( 1.760 -5.659 3.033) 6.658 14.950 ( -1.723 5.866 0.506) 6.135 15.154 ( 3.513 -3.090 2.107) 5.131 15.552 ( -4.716 -5.177 -4.977) 8.591 15.765 ( -1.016 -11.319 3.902) 12.016 15.911 ( -3.891 7.320 -1.145) 8.368 16.014 ( -3.146 5.030 7.617) 9.655 16.295 ( -5.566 -2.220 -4.299) 7.375 16.341 ( -5.228 -3.596 -0.752) 6.390 21.262 ( -1.706 3.137 1.707) 3.957 21.271 ( 0.045 2.740 -1.490) 3.119 21.372 ( -3.088 3.235 -0.536) 4.504 21.397 ( -3.182 2.184 0.042) 3.860 24.661 ( -0.274 1.674 -0.441) 1.753 24.696 ( 1.567 -0.063 -2.020) 2.557 24.711 ( -0.705 2.469 -0.442) 2.606 24.789 ( 0.546 -0.585 1.997) 2.151 25.191 ( 5.482 1.675 0.322) 5.742 25.245 ( 7.912 -0.385 -0.499) 7.937 25.348 ( 3.903 0.819 0.142) 3.991 25.476 ( 8.980 -5.438 -2.222) 10.730 26.278 ( 4.226 2.838 2.016) 5.475 26.334 ( 5.526 -0.565 0.624) 5.589 26.415 ( 6.811 -0.614 -1.766) 7.063 26.429 ( 9.587 -1.080 -4.057) 10.466 27.313 ( 2.773 2.899 -6.662) 7.777 27.345 ( -0.910 2.907 4.663) 5.570 27.616 ( -1.046 -4.231 -1.601) 4.643 27.663 ( -1.719 -4.458 4.897) 6.842 28.184 ( -7.516 4.861 0.622) 8.973 28.391 ( 0.242 -3.190 -5.686) 6.524 28.443 ( -0.067 -0.050 1.962) 1.963 28.510 ( 1.350 -2.755 3.625) 4.749 29.013 ( -1.657 3.393 -1.094) 3.931 29.068 ( -0.050 0.724 -1.266) 1.460 29.302 ( -0.834 0.470 -5.489) 5.572 29.331 ( -5.790 -0.231 11.366) 12.758 31.256 ( -1.316 0.041 -2.147) 2.518 31.296 ( -0.977 -2.365 1.289) 2.865 32.201 ( -12.041 5.663 -7.339) 15.196 32.348 ( -14.615 -0.977 7.804) 16.597 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.774 5.090 -1.208) 6.450 1.453 ( 14.163 7.743 -7.673) 17.872 1.683 ( 15.551 4.641 0.060) 16.229 1.803 ( 11.961 -10.784 -2.382) 16.279 1.949 ( 1.383 5.669 -2.304) 6.274 2.097 ( 12.760 -13.653 4.652) 19.258 2.120 ( 10.184 1.172 3.899) 10.968 2.421 ( 0.395 -13.054 -6.199) 14.456 2.485 ( -1.191 -7.184 -5.707) 9.252 2.533 ( -2.558 -7.027 -1.687) 7.666 2.696 ( 2.777 -5.423 -3.257) 6.909 2.731 ( -3.860 -2.762 0.875) 4.827 3.022 ( -4.992 0.496 2.051) 5.419 3.029 ( -3.000 -3.595 2.138) 5.147 3.141 ( 1.364 -4.843 9.155) 10.447 3.209 ( -6.105 6.461 -2.332) 9.190 3.256 ( -0.359 -0.757 1.680) 1.877 3.439 ( 0.403 3.799 3.165) 4.961 3.519 ( 1.422 3.532 1.600) 4.130 3.621 ( 0.757 -1.037 -0.156) 1.294 3.775 ( 1.041 2.859 0.382) 3.067 3.882 ( 1.136 1.191 -0.870) 1.861 3.987 ( -1.414 2.189 -2.347) 3.507 4.036 ( 4.625 5.290 -0.839) 7.077 4.140 ( 6.071 2.825 -3.887) 7.743 4.300 ( 7.645 1.588 2.688) 8.258 4.347 ( 3.869 4.972 -1.570) 6.493 4.433 ( 4.317 -1.323 4.658) 6.487 4.505 ( 9.272 -1.503 0.506) 9.407 4.581 ( 7.982 4.765 -3.071) 9.790 4.607 ( 4.156 -1.941 0.287) 4.596 4.809 ( 7.958 0.043 2.070) 8.223 4.920 ( 9.319 0.237 2.605) 9.679 5.033 ( 9.717 -1.140 7.955) 12.610 5.170 ( 9.726 1.724 -0.777) 9.908 5.306 ( 10.537 -0.214 -1.576) 10.656 5.555 ( 5.524 4.720 0.759) 7.306 5.617 ( 8.379 3.671 1.143) 9.219 5.679 ( 2.760 2.510 -1.845) 4.162 5.841 ( 0.726 -0.272 -2.261) 2.390 5.941 ( 8.226 -0.798 -2.528) 8.642 5.974 ( 12.198 -2.387 2.059) 12.599 6.075 ( 8.481 3.917 0.579) 9.360 6.220 ( 4.913 -5.631 -4.991) 8.986 6.433 ( 7.157 9.312 1.744) 11.874 6.565 ( 5.677 5.947 -2.239) 8.521 6.650 ( 4.292 -0.180 -0.982) 4.406 6.763 ( 6.945 0.740 -7.065) 9.935 6.949 ( 10.730 3.488 -0.547) 11.296 7.145 ( 6.551 -1.072 2.481) 7.087 7.260 ( 15.981 0.372 1.475) 16.054 7.298 ( -1.314 4.831 3.911) 6.353 7.434 ( 7.893 -3.653 3.436) 9.351 7.539 ( 3.945 1.033 -2.985) 5.054 7.624 ( 4.818 -5.284 0.638) 7.179 7.799 ( -2.990 -6.988 1.688) 7.786 8.165 ( -6.975 8.782 -0.584) 11.230 8.269 ( -7.121 3.638 -3.149) 8.594 8.410 ( -5.146 -6.429 2.509) 8.609 8.681 ( -5.439 3.782 3.958) 7.717 8.716 ( -0.651 -5.415 -2.333) 5.932 8.873 ( -3.984 3.969 6.339) 8.474 8.978 ( -1.035 -4.241 -6.640) 7.947 9.077 ( -5.394 -9.234 7.468) 13.044 9.186 ( -4.011 4.583 -4.698) 7.692 9.453 ( -0.366 -6.940 -6.292) 9.375 9.579 ( 4.563 -5.459 0.426) 7.127 9.654 ( 5.152 -3.537 -2.088) 6.589 9.887 ( -9.859 2.179 0.315) 10.102 10.028 ( -4.415 1.519 -5.538) 7.244 10.053 ( -13.730 -0.677 5.338) 14.746 10.126 ( -5.748 0.649 -0.161) 5.786 11.220 ( 5.285 12.511 -0.943) 13.614 11.354 ( 4.131 1.320 2.597) 5.055 11.491 ( 4.474 -1.726 -4.604) 6.648 11.691 ( 2.798 -6.318 3.519) 7.755 12.517 ( -3.601 2.104 -4.343) 6.021 12.667 ( -11.788 5.050 2.822) 13.131 12.701 ( 0.160 -5.836 0.644) 5.873 12.903 ( -9.374 -8.454 2.724) 12.913 13.210 ( 0.460 -2.749 1.155) 3.017 13.249 ( 1.393 -4.186 -1.282) 4.595 13.405 ( 2.082 3.577 0.239) 4.145 13.516 ( 0.636 0.521 0.815) 1.157 13.633 ( 5.519 2.824 -1.282) 6.331 13.897 ( 3.763 1.221 -0.519) 3.989 13.945 ( -0.468 0.544 2.246) 2.358 14.181 ( 5.080 1.240 -4.384) 6.824 14.305 ( -0.305 2.470 1.990) 3.186 14.481 ( 5.888 -0.574 -4.120) 7.209 14.566 ( 0.232 -1.543 3.269) 3.622 14.740 ( 0.471 -2.700 3.763) 4.655 14.994 ( 4.534 3.791 1.258) 6.043 15.203 ( 2.173 -5.928 -1.448) 6.478 15.451 ( -3.587 -2.045 -1.565) 4.416 15.706 ( -5.307 -4.228 -1.506) 6.950 15.819 ( -7.439 1.231 2.647) 7.992 15.980 ( -6.787 3.541 7.620) 10.802 16.131 ( -8.016 -2.112 -4.557) 9.459 16.189 ( -9.365 -4.080 -2.591) 10.539 21.237 ( -2.295 3.442 1.332) 4.346 21.252 ( -0.793 3.039 -1.975) 3.710 21.307 ( -2.702 2.222 -1.944) 4.002 21.327 ( -4.243 1.434 1.760) 4.812 24.663 ( 0.228 2.477 -0.380) 2.516 24.680 ( -1.623 3.092 -0.357) 3.510 24.732 ( 2.417 -0.402 -0.452) 2.491 24.787 ( -1.304 -1.113 1.079) 2.026 25.316 ( 6.313 1.845 1.517) 6.750 25.413 ( 9.756 -1.198 -1.741) 9.982 25.499 ( 10.670 1.302 3.171) 11.207 25.643 ( 10.878 -5.188 -2.547) 12.318 26.412 ( 6.753 3.127 4.009) 8.453 26.466 ( 7.839 -0.004 1.616) 8.004 26.550 ( 8.825 0.151 -1.771) 9.003 26.595 ( 11.896 -2.123 -7.324) 14.130 27.317 ( 1.348 2.712 -4.057) 5.063 27.361 ( 1.257 2.464 -0.333) 2.786 27.577 ( -2.979 -2.923 0.666) 4.226 27.632 ( -5.413 -2.479 3.344) 6.828 28.080 ( -4.115 2.114 2.581) 5.297 28.298 ( -2.389 -5.688 -7.449) 9.672 28.465 ( -1.960 2.741 7.761) 8.461 28.617 ( 5.966 -4.931 3.408) 8.457 28.963 ( -2.148 4.394 -3.529) 6.031 29.021 ( -2.506 1.462 -3.926) 4.881 29.227 ( -2.813 -0.813 -4.582) 5.438 29.312 ( -5.889 -3.270 11.866) 13.644 31.218 ( -1.055 0.568 -1.673) 2.058 31.277 ( -1.504 -2.896 0.157) 3.267 31.902 ( -14.776 6.954 -4.049) 16.825 32.043 ( -20.286 1.507 2.333) 20.476 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 1.084 1.480 -0.743) 1.979 1.682 ( 12.323 2.642 -0.773) 12.627 1.861 ( -3.267 -14.724 1.426) 15.149 1.867 ( 7.474 -2.055 -2.458) 8.132 2.038 ( 9.105 11.265 0.577) 14.496 2.299 ( 8.074 -4.939 -0.670) 9.489 2.358 ( 7.509 -6.160 3.114) 10.200 2.397 ( -4.980 -2.300 -6.005) 8.134 2.463 ( 0.763 -6.482 -2.144) 6.870 2.488 ( 6.607 -0.738 5.117) 8.390 2.678 ( 5.050 -3.065 -3.924) 7.092 2.804 ( 1.889 -3.287 1.207) 3.979 2.904 ( -8.332 -4.549 2.782) 9.892 2.913 ( -5.534 -4.042 -0.534) 6.874 3.067 ( -5.737 2.690 -1.473) 6.505 3.198 ( -5.322 -4.748 3.837) 8.099 3.308 ( 2.887 1.031 -1.879) 3.595 3.402 ( -2.974 1.572 -0.230) 3.371 3.500 ( -4.137 3.500 1.438) 5.606 3.650 ( 1.537 -4.106 -1.923) 4.787 3.822 ( 1.895 6.871 4.895) 8.647 3.883 ( -1.573 2.731 -0.515) 3.193 3.947 ( -1.022 1.305 0.416) 1.709 4.104 ( 2.732 5.154 1.998) 6.166 4.190 ( 2.318 -0.979 -5.146) 5.728 4.302 ( -1.533 2.700 -2.760) 4.154 4.496 ( 7.023 -2.330 -1.370) 7.525 4.561 ( 4.984 3.083 7.746) 9.713 4.616 ( 3.447 3.262 -0.391) 4.762 4.700 ( 6.999 -1.444 1.793) 7.368 4.766 ( 10.170 4.396 -3.468) 11.610 4.921 ( 2.631 4.641 3.535) 6.400 5.098 ( 8.117 -3.059 1.942) 8.889 5.268 ( 9.298 -7.327 1.031) 11.883 5.328 ( 7.569 7.396 -0.923) 10.623 5.513 ( 11.129 2.641 -0.589) 11.453 5.662 ( 1.610 6.106 3.671) 7.304 5.697 ( 3.976 7.746 -4.262) 9.694 5.796 ( 11.341 -3.273 -0.389) 11.810 5.916 ( 8.584 -3.494 1.664) 9.416 6.041 ( 4.667 1.545 -4.254) 6.501 6.112 ( 5.660 -1.501 -3.777) 6.968 6.210 ( 3.416 5.382 2.505) 6.849 6.272 ( 2.389 0.795 1.751) 3.067 6.694 ( 8.748 3.316 2.409) 9.661 6.722 ( 14.057 8.354 -3.961) 16.825 6.761 ( 12.318 0.369 1.006) 12.364 6.865 ( 9.553 3.690 -0.645) 10.261 7.174 ( 11.871 4.447 -1.042) 12.719 7.278 ( 6.676 0.310 -0.047) 6.684 7.360 ( 4.196 2.129 2.231) 5.207 7.494 ( 7.213 0.160 0.322) 7.222 7.547 ( 3.701 -5.721 2.745) 7.346 7.619 ( 5.777 0.013 -0.229) 5.781 7.702 ( -1.171 -6.633 -2.190) 7.083 7.787 ( 6.133 -3.573 -0.577) 7.121 8.069 ( -3.144 5.359 0.066) 6.214 8.126 ( -5.462 4.098 -2.673) 7.332 8.340 ( -4.767 -8.697 3.678) 10.578 8.623 ( -4.075 4.039 1.143) 5.851 8.670 ( -1.835 -10.590 -1.171) 10.811 8.846 ( -2.502 1.414 1.312) 3.160 8.910 ( -1.554 -4.507 -0.706) 4.820 8.993 ( -5.920 -6.158 -1.075) 8.609 9.125 ( -3.333 2.194 2.820) 4.886 9.372 ( -2.607 -6.593 -4.181) 8.230 9.496 ( -9.666 6.372 -4.677) 12.486 9.691 ( 1.362 -3.424 -4.718) 5.987 9.817 ( -9.767 -2.808 5.211) 11.420 9.846 ( -0.264 -4.932 3.030) 5.794 9.975 ( -1.237 2.202 -0.295) 2.543 10.044 ( -3.695 0.401 -0.793) 3.801 11.285 ( 1.505 14.552 1.826) 14.743 11.387 ( 0.935 4.537 -3.401) 5.747 11.579 ( 6.801 -6.563 -2.092) 9.680 11.758 ( 0.829 -8.432 4.752) 9.714 12.433 ( -2.684 4.644 -3.298) 6.297 12.493 ( -8.449 5.144 1.434) 9.995 12.731 ( 1.227 -6.785 1.144) 6.989 12.779 ( -4.192 -9.234 0.300) 10.146 13.223 ( 0.973 -1.938 -1.916) 2.894 13.253 ( 0.833 -2.543 0.239) 2.687 13.446 ( 0.245 1.349 1.196) 1.819 13.497 ( -3.334 0.666 0.637) 3.459 13.729 ( 5.822 5.059 -1.558) 7.869 13.928 ( -2.366 9.670 6.048) 11.648 14.029 ( 9.446 -4.247 -1.930) 10.536 14.237 ( 4.579 0.565 -4.305) 6.310 14.324 ( 0.763 1.828 2.244) 2.993 14.526 ( 3.080 -6.996 -1.834) 7.861 14.639 ( 3.235 4.745 2.474) 6.253 14.775 ( 0.112 -0.884 3.133) 3.257 15.098 ( 5.518 1.881 0.505) 5.851 15.234 ( 3.360 -5.038 -3.183) 6.842 15.393 ( -1.896 -2.813 -0.318) 3.407 15.587 ( -5.416 -1.988 -1.716) 6.019 15.676 ( -8.571 -1.203 0.535) 8.672 15.885 ( -8.642 3.363 5.489) 10.776 15.943 ( -9.583 -5.202 -2.621) 11.214 15.981 ( -10.462 -2.093 -1.840) 10.827 21.200 ( -1.703 3.597 -0.773) 4.054 21.216 ( -2.003 3.494 -0.004) 4.028 21.254 ( -0.939 0.929 -3.005) 3.282 21.278 ( -3.306 0.384 3.236) 4.642 24.648 ( -0.846 3.480 -0.500) 3.616 24.662 ( -0.685 2.960 -0.355) 3.059 24.760 ( 0.893 -0.310 -0.264) 0.981 24.777 ( -0.642 -0.953 1.337) 1.763 25.440 ( 5.585 1.347 2.048) 6.099 25.549 ( 6.486 -2.652 -2.218) 7.350 25.730 ( 10.003 1.771 4.063) 10.941 25.821 ( 9.822 -2.302 -2.149) 10.314 26.553 ( 5.326 2.399 3.015) 6.574 26.623 ( 6.301 -0.205 2.559) 6.804 26.699 ( 8.056 0.967 -0.444) 8.126 26.741 ( 9.658 -1.575 -6.361) 11.672 27.289 ( -2.046 4.418 -0.736) 4.925 27.391 ( 3.686 1.092 -5.304) 6.550 27.493 ( -7.158 1.495 0.903) 7.368 27.548 ( -4.168 -4.311 1.585) 6.202 28.076 ( -0.144 -0.944 5.135) 5.223 28.224 ( -0.357 -5.690 -4.620) 7.339 28.499 ( -1.005 5.211 8.325) 9.873 28.740 ( 3.598 -5.329 3.615) 7.376 28.876 ( -2.210 4.107 -8.545) 9.735 28.949 ( -2.341 2.329 -1.433) 3.600 29.149 ( -1.478 -3.152 -4.413) 5.621 29.285 ( -5.282 -6.056 8.012) 11.347 31.200 ( 0.459 0.661 -1.114) 1.374 31.251 ( -0.770 -2.218 -0.700) 2.450 31.621 ( -12.728 5.339 -2.043) 13.952 31.706 ( -16.418 2.181 0.642) 16.575 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 6.649 -0.792 3.348) 7.487 1.715 ( -5.612 -7.847 0.038) 9.647 1.892 ( 1.572 -7.446 2.711) 8.079 1.998 ( 4.616 -6.505 -5.746) 9.831 2.148 ( 4.871 7.091 -0.284) 8.608 2.289 ( 1.046 0.111 0.618) 1.220 2.416 ( 3.964 -1.751 3.526) 5.587 2.469 ( 2.918 -4.168 2.168) 5.531 2.527 ( 5.838 -3.278 0.800) 6.743 2.611 ( -0.194 -0.361 -0.594) 0.722 2.754 ( 2.887 -0.046 1.148) 3.107 2.793 ( -2.436 4.567 2.388) 5.700 2.845 ( 4.127 -6.597 0.706) 7.813 2.915 ( 0.695 -4.623 -4.218) 6.297 2.976 ( -2.692 -0.547 0.209) 2.755 3.060 ( -6.433 -5.038 2.555) 8.561 3.236 ( -3.358 5.214 -4.819) 7.854 3.374 ( -6.472 -0.127 1.113) 6.568 3.449 ( -0.293 1.877 1.932) 2.709 3.586 ( -2.916 -2.184 -8.008) 8.798 3.804 ( -2.679 4.681 -2.771) 6.063 3.896 ( -4.396 1.764 -2.032) 5.154 3.963 ( 4.847 3.842 8.075) 10.172 4.139 ( -0.443 0.935 -0.934) 1.394 4.209 ( 1.610 -1.487 3.400) 4.045 4.267 ( -0.350 6.746 -1.961) 7.034 4.580 ( 4.430 -5.818 -1.724) 7.512 4.659 ( 0.484 -1.955 3.067) 3.669 4.693 ( 3.540 7.761 3.912) 9.384 4.821 ( 5.279 1.022 -2.620) 5.982 4.863 ( 2.945 8.953 -1.991) 9.633 4.981 ( 1.140 5.870 3.097) 6.734 5.252 ( 5.117 -4.453 5.645) 8.825 5.355 ( 3.687 -9.498 -5.573) 11.613 5.442 ( 4.169 6.293 0.362) 7.557 5.562 ( -3.460 0.411 -1.091) 3.651 5.727 ( 7.247 8.491 -5.431) 12.414 5.776 ( 1.542 11.140 5.344) 12.452 6.034 ( 12.656 -5.787 -1.089) 13.959 6.066 ( 5.173 1.216 0.247) 5.320 6.128 ( 5.759 -1.435 1.852) 6.217 6.180 ( 2.373 -0.120 -0.113) 2.379 6.245 ( 2.017 4.650 -1.475) 5.278 6.311 ( 0.550 1.890 0.123) 1.972 6.826 ( 4.851 0.484 2.822) 5.633 6.848 ( 6.693 -0.551 -2.233) 7.077 7.044 ( 8.118 6.308 1.295) 10.362 7.066 ( 9.715 5.495 -1.468) 11.257 7.330 ( 3.981 3.148 0.431) 5.094 7.354 ( 3.461 3.550 -3.655) 6.160 7.457 ( 8.392 -0.734 0.344) 8.431 7.575 ( 2.253 -3.063 -0.346) 3.818 7.644 ( -0.579 1.889 1.633) 2.563 7.652 ( 0.831 0.747 -1.017) 1.511 7.737 ( 5.875 -1.608 2.200) 6.476 7.873 ( 2.824 -2.979 2.009) 4.570 8.035 ( -0.627 4.308 -2.648) 5.095 8.079 ( 2.459 -6.057 -1.412) 6.688 8.288 ( -3.012 -8.443 2.623) 9.340 8.497 ( -8.203 -7.048 -2.296) 11.056 8.680 ( 1.865 -5.688 2.127) 6.352 8.832 ( 2.622 -1.053 -3.427) 4.442 8.854 ( -5.098 -6.313 -1.261) 8.211 8.926 ( -2.112 -2.028 3.795) 4.793 9.075 ( -2.878 3.378 1.672) 4.742 9.274 ( -9.040 10.156 -4.373) 14.282 9.333 ( 0.449 -7.160 -0.848) 7.224 9.555 ( -10.648 -4.548 0.725) 11.601 9.793 ( 3.224 -0.699 0.336) 3.316 9.901 ( 1.628 -4.926 2.143) 5.614 9.962 ( -1.393 1.529 -1.617) 2.625 9.975 ( -2.082 0.039 0.396) 2.120 11.314 ( -0.354 12.881 3.927) 13.471 11.367 ( 0.754 6.572 -5.302) 8.478 11.682 ( 5.141 -8.068 -0.438) 9.577 11.785 ( -1.235 -9.349 2.937) 9.877 12.365 ( -2.322 5.928 -1.557) 6.554 12.383 ( -3.805 5.434 -0.729) 6.674 12.733 ( -2.633 -5.983 7.589) 10.016 12.770 ( 3.183 -6.993 -7.012) 10.402 13.239 ( 3.165 -0.576 -2.476) 4.059 13.286 ( 1.709 -2.831 1.465) 3.617 13.417 ( -5.011 0.324 0.266) 5.029 13.423 ( -3.108 -1.333 0.660) 3.446 13.813 ( 4.618 6.385 -1.927) 8.112 13.913 ( -3.196 6.427 3.787) 8.115 14.218 ( 8.924 0.131 1.938) 9.133 14.285 ( 3.514 -1.249 -2.815) 4.672 14.367 ( 3.126 3.020 1.125) 4.489 14.576 ( 3.084 -2.822 -3.753) 5.618 14.680 ( -1.425 2.643 5.185) 5.992 14.779 ( -1.310 -0.015 0.186) 1.323 15.199 ( 4.962 0.349 0.825) 5.042 15.274 ( 2.961 -2.528 -2.762) 4.774 15.383 ( 1.901 -3.619 -1.967) 4.536 15.495 ( -4.998 -6.916 1.120) 8.606 15.562 ( -1.878 0.959 -1.008) 2.337 15.730 ( -9.213 -2.460 -2.327) 9.815 15.772 ( -8.225 -2.504 3.995) 9.481 15.799 ( -8.216 -0.087 -0.500) 8.231 21.172 ( -0.377 3.323 -1.299) 3.588 21.184 ( -1.889 3.286 1.145) 3.959 21.228 ( 0.638 0.373 -3.200) 3.284 21.248 ( -2.697 0.026 3.176) 4.167 24.636 ( -0.354 3.501 0.167) 3.523 24.646 ( -0.450 3.165 -0.773) 3.289 24.768 ( 0.372 -0.150 -0.255) 0.475 24.777 ( -0.553 -0.476 1.050) 1.278 25.546 ( 3.693 0.709 2.740) 4.653 25.615 ( 2.832 -1.884 -2.947) 4.500 25.905 ( 5.592 1.520 3.514) 6.778 25.950 ( 5.463 -0.235 -2.088) 5.853 26.651 ( 3.560 0.681 1.261) 3.838 26.707 ( 1.576 -1.314 0.642) 2.150 26.832 ( 5.095 1.441 2.494) 5.852 26.855 ( 6.507 0.036 -3.751) 7.511 27.247 ( -1.195 5.497 -1.327) 5.780 27.337 ( -7.022 4.976 1.216) 8.692 27.437 ( 4.152 -2.975 -8.018) 9.507 27.495 ( -4.004 -4.234 3.948) 7.039 28.129 ( 0.998 -0.773 5.968) 6.100 28.210 ( 1.226 -3.449 -3.105) 4.800 28.548 ( -0.339 5.175 8.395) 9.868 28.737 ( -3.038 -0.929 -7.059) 7.741 28.821 ( 2.568 3.131 -3.041) 5.064 28.909 ( -3.113 3.362 2.381) 5.163 29.129 ( 3.293 -8.267 -4.591) 10.013 29.239 ( -4.919 -8.405 4.893) 10.899 31.222 ( 2.733 0.600 -0.833) 2.919 31.249 ( 1.467 -0.853 -0.883) 1.913 31.413 ( -8.709 3.162 -0.648) 9.288 31.461 ( -10.885 1.171 0.820) 10.978 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -9.098 -1.887 -5.498) 10.797 1.537 ( 9.098 -1.887 5.498) 10.797 1.948 ( -0.259 -10.729 -8.728) 13.833 1.948 ( 0.259 -10.729 8.728) 13.833 2.260 ( -3.502 0.946 -1.258) 3.839 2.260 ( 3.502 0.946 1.258) 3.839 2.520 ( -4.067 -0.739 -2.549) 4.856 2.520 ( 4.067 -0.739 2.549) 4.856 2.618 ( -8.830 3.858 -5.786) 11.240 2.618 ( 8.830 3.858 5.786) 11.240 2.724 ( -9.247 -1.616 -3.589) 10.050 2.724 ( 9.247 -1.616 3.589) 10.050 2.901 ( -3.816 -4.637 -1.166) 6.117 2.901 ( 3.816 -4.637 1.166) 6.117 3.004 ( 0.329 -2.945 -1.996) 3.573 3.004 ( -0.329 -2.945 1.996) 3.573 3.250 ( -2.591 2.810 -1.106) 3.979 3.250 ( 2.591 2.810 1.106) 3.979 3.475 ( -1.529 -1.311 -5.306) 5.675 3.475 ( 1.529 -1.311 5.306) 5.675 3.800 ( -2.998 4.032 -0.947) 5.113 3.800 ( 2.998 4.032 0.947) 5.113 4.086 ( -3.304 3.556 -3.531) 6.003 4.086 ( 3.304 3.556 3.531) 6.003 4.251 ( 0.615 2.271 -4.127) 4.751 4.251 ( -0.615 2.271 4.127) 4.751 4.645 ( 3.520 -5.316 -2.282) 6.772 4.645 ( -3.520 -5.316 2.282) 6.772 4.783 ( -1.668 6.463 -5.767) 8.821 4.783 ( 1.668 6.464 5.767) 8.821 4.958 ( -0.939 7.635 -3.606) 8.496 4.958 ( 0.939 7.635 3.606) 8.496 5.348 ( 1.790 -6.808 -9.839) 12.098 5.348 ( -1.790 -6.808 9.839) 12.098 5.495 ( -0.541 1.830 -1.722) 2.570 5.495 ( 0.541 1.830 1.722) 2.570 5.792 ( 4.722 10.928 -6.647) 13.634 5.792 ( -4.722 10.928 6.647) 13.634 6.145 ( -0.580 4.350 -2.782) 5.196 6.145 ( 0.580 4.350 2.782) 5.196 6.187 ( 2.553 -6.536 -4.308) 8.234 6.187 ( -2.553 -6.537 4.308) 8.234 6.293 ( -0.430 0.969 -1.416) 1.769 6.293 ( 0.430 0.969 1.416) 1.769 6.908 ( 0.320 -0.068 -2.982) 3.000 6.908 ( -0.320 -0.068 2.982) 3.000 7.106 ( -0.047 2.757 -2.916) 4.013 7.106 ( 0.047 2.757 2.916) 4.013 7.387 ( 0.307 5.452 -2.317) 5.932 7.387 ( -0.307 5.452 2.317) 5.932 7.583 ( -1.571 -3.173 -2.963) 4.617 7.583 ( 1.571 -3.173 2.963) 4.617 7.622 ( 0.473 6.324 -2.059) 6.668 7.622 ( -0.473 6.324 2.059) 6.668 7.869 ( -4.362 -0.333 -2.270) 4.928 7.869 ( 4.362 -0.333 2.270) 4.928 8.068 ( -2.468 -5.824 -2.990) 6.997 8.068 ( 2.468 -5.824 2.990) 6.997 8.331 ( -2.063 -8.603 -5.891) 10.629 8.331 ( 2.063 -8.603 5.891) 10.629 8.753 ( -3.571 -6.294 -2.850) 7.778 8.753 ( 3.571 -6.294 2.850) 7.778 8.884 ( 4.646 -3.338 -4.027) 6.996 8.884 ( -4.646 -3.338 4.027) 6.996 9.110 ( -4.749 8.884 -3.125) 10.547 9.110 ( 4.749 8.884 3.125) 10.547 9.395 ( -6.807 -5.577 1.110) 8.870 9.395 ( 6.807 -5.577 -1.110) 8.870 9.871 ( -0.723 -0.558 -3.106) 3.237 9.871 ( 0.723 -0.558 3.106) 3.237 9.957 ( -1.005 -1.091 -0.785) 1.679 9.957 ( 1.005 -1.091 0.785) 1.679 11.339 ( 0.672 9.653 -5.236) 11.002 11.339 ( -0.672 9.653 5.236) 11.002 11.756 ( 1.695 -9.091 -4.625) 10.340 11.756 ( -1.695 -9.091 4.625) 10.340 12.340 ( 0.948 6.014 -2.706) 6.663 12.340 ( -0.947 6.014 2.706) 6.663 12.757 ( 2.060 -5.405 -8.461) 10.249 12.757 ( -2.060 -5.405 8.461) 10.249 13.298 ( 3.815 -1.095 -2.089) 4.485 13.298 ( -3.815 -1.095 2.089) 4.485 13.367 ( -0.019 -1.845 -0.210) 1.857 13.367 ( 0.019 -1.845 0.210) 1.857 13.872 ( 3.723 6.464 -2.610) 7.903 13.872 ( -3.723 6.464 2.610) 7.903 14.305 ( 2.989 -1.697 -6.618) 7.457 14.305 ( -2.989 -1.697 6.618) 7.457 14.499 ( -7.170 4.687 -2.980) 9.070 14.499 ( 7.170 4.687 2.980) 9.070 14.729 ( -2.185 -1.210 -3.799) 4.546 14.729 ( 2.185 -1.210 3.799) 4.546 15.277 ( -0.767 -0.516 -2.525) 2.689 15.277 ( 0.767 -0.516 2.525) 2.689 15.423 ( 3.733 -6.066 -3.230) 7.821 15.423 ( -3.733 -6.066 3.230) 7.821 15.591 ( -4.374 -1.293 -0.195) 4.565 15.591 ( 4.374 -1.293 0.195) 4.565 15.703 ( -0.024 -1.393 -1.437) 2.002 15.703 ( 0.024 -1.393 1.437) 2.002 21.167 ( 0.995 3.166 -1.936) 3.842 21.167 ( -0.995 3.166 1.936) 3.842 21.228 ( 1.868 0.084 -3.073) 3.597 21.228 ( -1.868 0.084 3.073) 3.597 24.636 ( 0.060 3.363 -0.698) 3.436 24.636 ( -0.060 3.363 0.698) 3.436 24.773 ( 0.520 -0.188 -0.880) 1.039 24.773 ( -0.520 -0.188 0.880) 1.039 25.610 ( -0.756 -0.396 -3.157) 3.270 25.610 ( 0.756 -0.396 3.157) 3.270 25.982 ( -0.155 0.845 -2.689) 2.822 25.982 ( 0.155 0.845 2.689) 2.822 26.705 ( -0.313 -0.907 -1.406) 1.702 26.705 ( 0.313 -0.907 1.406) 1.702 26.901 ( 1.189 0.967 -4.349) 4.612 26.901 ( -1.189 0.967 4.349) 4.612 27.248 ( 4.029 5.550 -9.182) 11.461 27.248 ( -4.029 5.550 9.182) 11.461 27.459 ( 4.259 -3.890 -7.159) 9.194 27.459 ( -4.259 -3.890 7.159) 9.194 28.189 ( -0.511 -0.804 -4.985) 5.075 28.189 ( 0.511 -0.804 4.985) 5.075 28.625 ( -1.739 2.268 -8.881) 9.330 28.625 ( 1.739 2.268 8.881) 9.330 28.861 ( 3.735 3.527 -2.878) 5.888 28.861 ( -3.735 3.527 2.878) 5.888 29.180 ( 4.007 -9.835 -5.958) 12.177 29.180 ( -4.007 -9.835 5.958) 12.177 31.282 ( -3.150 0.919 -0.093) 3.283 31.282 ( 3.150 0.919 0.093) 3.283 31.316 ( -2.422 0.694 -0.732) 2.624 31.316 ( 2.422 0.694 0.732) 2.624 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 -0.000 0.000) 0.000 1.199 ( -0.000 0.000 0.000) 0.000 1.243 ( -0.000 -0.000 -0.000) 0.000 1.243 ( 0.000 0.000 -0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 -0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 -0.000) 0.000 2.724 ( -0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 -0.000) 0.000 2.835 ( -0.000 0.000 0.000) 0.000 3.362 ( 0.000 -0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.366 ( -0.000 -0.000 -0.000) 0.000 3.366 ( -0.000 0.000 -0.000) 0.000 3.551 ( 0.000 0.000 -0.000) 0.000 3.551 ( -0.000 0.000 0.000) 0.000 3.896 ( -0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.958 ( -0.000 0.000 -0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.059 ( -0.000 0.000 -0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 -0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.333 ( -0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.538 ( -0.000 0.000 -0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 -0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 4.924 ( -0.000 0.000 0.000) 0.000 5.480 ( -0.000 0.000 -0.000) 0.000 5.480 ( 0.000 0.000 -0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.502 ( -0.000 0.000 0.000) 0.000 5.916 ( 0.000 -0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.933 ( -0.000 -0.000 -0.000) 0.000 5.933 ( 0.000 0.000 -0.000) 0.000 6.542 ( -0.000 0.000 0.000) 0.000 6.542 ( -0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.964 ( -0.000 0.000 -0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.994 ( -0.000 0.000 -0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.382 ( -0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.684 ( -0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 8.496 ( -0.000 0.000 -0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.567 ( -0.000 0.000 -0.000) 0.000 8.567 ( -0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 8.948 ( -0.000 0.000 0.000) 0.000 9.105 ( -0.000 0.000 0.000) 0.000 9.105 ( -0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.395 ( -0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 -0.000) 0.000 10.180 ( -0.000 0.000 0.000) 0.000 10.396 ( -0.000 0.000 -0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.507 ( -0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 -0.000) 0.000 12.691 ( -0.000 0.000 0.000) 0.000 12.987 ( -0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.258 ( -0.000 0.000 0.000) 0.000 13.258 ( -0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 -0.000) 0.000 13.485 ( -0.000 0.000 0.000) 0.000 13.488 ( 0.000 -0.000 -0.000) 0.000 13.488 ( -0.000 -0.000 0.000) 0.000 14.091 ( -0.000 0.000 0.000) 0.000 14.091 ( -0.000 0.000 0.000) 0.000 14.385 ( -0.000 0.000 -0.000) 0.000 14.385 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.539 ( -0.000 0.000 0.000) 0.000 15.085 ( 0.000 0.000 0.000) 0.000 15.085 ( 0.000 0.000 0.000) 0.000 15.568 ( -0.000 0.000 0.000) 0.000 15.568 ( 0.000 0.000 0.000) 0.000 16.059 ( -0.000 0.000 0.000) 0.000 16.059 ( -0.000 0.000 0.000) 0.000 16.346 ( -0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 21.303 ( -0.000 0.000 0.000) 0.000 21.303 ( -0.000 0.000 0.000) 0.000 21.447 ( 0.000 0.000 -0.000) 0.000 21.447 ( -0.000 0.000 0.000) 0.000 24.700 ( 0.000 0.000 -0.000) 0.000 24.700 ( 0.000 0.000 0.000) 0.000 24.739 ( 0.000 0.000 0.000) 0.000 24.739 ( 0.000 0.000 0.000) 0.000 25.150 ( -0.000 0.000 0.000) 0.000 25.150 ( 0.000 0.000 0.000) 0.000 25.343 ( -0.000 0.000 -0.000) 0.000 25.343 ( 0.000 0.000 0.000) 0.000 26.266 ( -0.000 0.000 0.000) 0.000 26.266 ( 0.000 0.000 0.000) 0.000 26.343 ( 0.000 0.000 -0.000) 0.000 26.343 ( 0.000 0.000 0.000) 0.000 27.364 ( 0.000 0.000 0.000) 0.000 27.364 ( 0.000 0.000 0.000) 0.000 27.588 ( 0.000 0.000 -0.000) 0.000 27.588 ( -0.000 0.000 0.000) 0.000 28.358 ( -0.000 0.000 0.000) 0.000 28.358 ( -0.000 0.000 0.000) 0.000 28.442 ( 0.000 0.000 -0.000) 0.000 28.442 ( 0.000 0.000 0.000) 0.000 29.068 ( -0.000 0.000 -0.000) 0.000 29.068 ( -0.000 0.000 0.000) 0.000 29.346 ( -0.000 0.000 0.000) 0.000 29.346 ( 0.000 0.000 0.000) 0.000 31.282 ( -0.000 0.000 0.000) 0.000 31.282 ( 0.000 0.000 0.000) 0.000 32.410 ( 0.000 0.000 0.000) 0.000 32.410 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 13.336 -11.599 -4.252) 18.179 1.310 ( 13.336 11.599 -4.252) 18.179 1.434 ( 8.181 -4.504 -0.773) 9.371 1.434 ( 8.181 4.504 -0.773) 9.371 1.581 ( 21.063 -1.576 7.690) 22.478 1.581 ( 21.063 1.576 7.690) 22.478 2.306 ( -0.819 -8.979 -14.617) 17.174 2.306 ( -0.819 8.979 -14.617) 17.174 2.572 ( -11.066 -3.032 -1.356) 11.554 2.572 ( -11.066 3.032 -1.356) 11.554 2.656 ( 0.246 -4.273 5.452) 6.931 2.656 ( 0.246 4.273 5.452) 6.931 2.907 ( 4.782 -1.755 4.733) 6.953 2.907 ( 4.782 1.755 4.733) 6.953 3.262 ( -6.478 -4.985 0.091) 8.174 3.262 ( -6.478 4.985 0.091) 8.174 3.444 ( 3.460 -2.571 -1.311) 4.506 3.444 ( 3.460 2.571 -1.311) 4.506 3.574 ( -1.204 -7.815 2.745) 8.371 3.574 ( -1.204 7.815 2.745) 8.371 3.830 ( 1.754 -3.922 -2.220) 4.836 3.830 ( 1.754 3.922 -2.220) 4.836 3.971 ( 0.099 -1.520 -4.488) 4.739 3.971 ( 0.099 1.520 -4.488) 4.739 4.199 ( 9.001 -6.005 4.969) 11.907 4.199 ( 9.001 6.005 4.969) 11.907 4.297 ( 4.183 -8.621 -0.718) 9.609 4.297 ( 4.183 8.621 -0.718) 9.609 4.334 ( 3.946 -2.227 2.530) 5.189 4.334 ( 3.946 2.227 2.530) 5.189 4.596 ( 6.674 -4.905 -2.365) 8.614 4.596 ( 6.674 4.905 -2.365) 8.614 4.839 ( 1.874 -2.394 5.925) 6.659 4.839 ( 1.874 2.394 5.925) 6.659 5.054 ( 9.675 -4.400 0.495) 10.640 5.054 ( 9.675 4.400 0.495) 10.640 5.490 ( 4.365 -3.037 1.882) 5.641 5.490 ( 4.365 3.037 1.882) 5.641 5.662 ( 11.845 -3.127 -1.368) 12.327 5.662 ( 11.845 3.127 -1.368) 12.327 5.880 ( -1.147 -1.125 -2.879) 3.297 5.880 ( -1.147 1.125 -2.879) 3.297 6.007 ( 7.380 -4.306 -1.584) 8.690 6.007 ( 7.380 4.306 -1.584) 8.691 6.532 ( -0.663 -6.005 0.733) 6.086 6.532 ( -0.663 6.005 0.733) 6.086 6.634 ( 3.111 -2.987 -3.639) 5.643 6.634 ( 3.111 2.987 -3.639) 5.643 6.928 ( 3.781 -2.921 -4.185) 6.352 6.928 ( 3.781 2.921 -4.185) 6.352 7.141 ( 8.289 -3.083 3.989) 9.701 7.141 ( 8.289 3.083 3.989) 9.701 7.409 ( 1.662 -4.219 1.799) 4.878 7.409 ( 1.662 4.219 1.799) 4.878 7.668 ( -1.712 -5.531 0.665) 5.828 7.668 ( -1.712 5.531 0.665) 5.828 8.430 ( -5.665 -2.100 -2.053) 6.382 8.430 ( -5.665 2.100 -2.053) 6.382 8.546 ( -2.879 -10.628 1.239) 11.080 8.546 ( -2.879 10.628 1.239) 11.080 8.925 ( -6.547 -3.644 6.672) 10.033 8.925 ( -6.547 3.644 6.672) 10.033 8.997 ( -3.085 -6.940 -2.402) 7.966 8.997 ( -3.085 6.940 -2.402) 7.966 9.360 ( 2.799 -5.041 -6.673) 8.819 9.360 ( 2.799 5.041 -6.673) 8.819 9.398 ( 6.908 -5.374 3.489) 9.422 9.398 ( 6.908 5.374 3.489) 9.422 10.136 ( -4.716 -2.054 0.047) 5.144 10.136 ( -4.716 2.054 0.047) 5.144 10.276 ( -10.497 -1.345 -1.564) 10.698 10.276 ( -10.497 1.345 -1.564) 10.698 11.215 ( 7.710 -1.927 -0.475) 7.961 11.215 ( 7.710 1.927 -0.475) 7.961 11.523 ( 1.238 -4.280 0.427) 4.475 11.523 ( 1.238 4.280 0.427) 4.475 12.653 ( -2.470 -2.569 -2.710) 4.477 12.653 ( -2.470 2.569 -2.710) 4.477 12.940 ( -7.674 -3.285 1.884) 8.558 12.940 ( -7.674 3.285 1.884) 8.558 13.190 ( -2.957 -0.464 1.579) 3.384 13.190 ( -2.957 0.464 1.579) 3.384 13.449 ( -0.150 -3.782 1.766) 4.177 13.449 ( -0.150 3.782 1.766) 4.177 13.622 ( 7.977 -7.852 -1.904) 11.354 13.622 ( 7.977 7.852 -1.904) 11.354 14.102 ( 0.470 -4.152 1.542) 4.454 14.102 ( 0.470 4.152 1.542) 4.454 14.376 ( 0.191 -4.953 -2.073) 5.373 14.376 ( 0.191 4.953 -2.073) 5.373 14.578 ( 2.881 -6.007 1.898) 6.927 14.578 ( 2.881 6.007 1.898) 6.927 15.077 ( 0.409 -6.078 -1.746) 6.337 15.077 ( 0.409 6.078 -1.746) 6.337 15.564 ( -1.942 -7.109 2.464) 7.771 15.564 ( -1.942 7.109 2.464) 7.771 16.030 ( -3.807 -3.582 1.758) 5.515 16.030 ( -3.807 3.582 1.758) 5.515 16.286 ( -5.424 -1.630 -2.120) 6.048 16.286 ( -5.424 1.630 -2.120) 6.048 21.296 ( -0.727 -0.266 -0.039) 0.775 21.296 ( -0.727 0.266 -0.039) 0.775 21.412 ( -3.392 -0.704 -0.187) 3.470 21.412 ( -3.392 0.704 -0.187) 3.470 24.687 ( 0.746 -0.934 -1.321) 1.782 24.687 ( 0.746 0.934 -1.321) 1.782 24.759 ( -0.062 -2.321 0.791) 2.453 24.759 ( -0.062 2.321 0.791) 2.453 25.223 ( 7.149 -1.635 0.042) 7.333 25.223 ( 7.149 1.635 0.042) 7.333 25.391 ( 5.759 -3.512 -0.505) 6.764 25.391 ( 5.759 3.512 -0.505) 6.764 26.318 ( 4.990 -1.334 1.457) 5.367 26.318 ( 4.990 1.334 1.457) 5.367 26.413 ( 7.815 -0.475 -2.381) 8.184 26.413 ( 7.815 0.475 -2.381) 8.184 27.365 ( 1.317 -1.532 -2.931) 3.560 27.365 ( 1.317 1.532 -2.931) 3.560 27.589 ( -1.521 -2.013 3.482) 4.300 27.589 ( -1.521 2.013 3.482) 4.300 28.293 ( -4.685 -6.010 -3.496) 8.384 28.293 ( -4.685 6.010 -3.496) 8.384 28.465 ( 1.440 -1.862 2.352) 3.327 28.465 ( 1.440 1.862 2.352) 3.327 29.065 ( -0.523 -1.461 -0.440) 1.613 29.065 ( -0.523 1.461 -0.440) 1.613 29.313 ( -4.230 -0.950 2.469) 4.989 29.313 ( -4.230 0.950 2.469) 4.989 31.267 ( -1.184 -0.944 -0.614) 1.634 31.267 ( -1.184 0.944 -0.614) 1.634 32.295 ( -12.139 -4.124 0.495) 12.830 32.295 ( -12.139 4.124 0.495) 12.830 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 3.022 -14.677 2.075) 15.128 1.450 ( 3.022 14.677 2.075) 15.128 1.651 ( 13.542 -6.116 -4.953) 15.663 1.651 ( 13.542 6.116 -4.953) 15.663 2.041 ( 17.242 -3.044 5.773) 18.436 2.041 ( 17.242 3.044 5.773) 18.436 2.169 ( 2.640 -10.517 -8.465) 13.756 2.169 ( 2.640 10.517 -8.465) 13.756 2.425 ( -2.268 -2.285 -4.856) 5.827 2.425 ( -2.268 2.285 -4.856) 5.827 2.679 ( -0.228 -2.199 1.559) 2.705 2.679 ( -0.228 2.199 1.559) 2.705 3.010 ( -3.234 -1.349 3.678) 5.080 3.010 ( -3.234 1.349 3.678) 5.080 3.154 ( -2.694 -4.603 4.390) 6.908 3.154 ( -2.694 4.603 4.390) 6.908 3.415 ( -3.846 -8.427 -3.191) 9.797 3.415 ( -3.846 8.427 -3.191) 9.797 3.561 ( -1.907 -2.148 3.752) 4.725 3.561 ( -1.907 2.148 3.752) 4.725 3.865 ( 4.287 -4.008 -2.228) 6.277 3.865 ( 4.287 4.008 -2.228) 6.277 4.032 ( 4.500 -2.575 -3.012) 5.996 4.032 ( 4.500 2.575 -3.012) 5.996 4.277 ( 0.996 -8.881 -2.224) 9.209 4.277 ( 0.996 8.881 -2.224) 9.209 4.384 ( 6.244 -5.227 3.283) 8.780 4.384 ( 6.244 5.227 3.283) 8.780 4.516 ( 8.483 -3.768 2.907) 9.727 4.516 ( 8.483 3.768 2.907) 9.727 4.738 ( 10.051 -7.191 -2.583) 12.626 4.738 ( 10.051 7.191 -2.583) 12.626 4.969 ( 6.456 -3.712 5.878) 9.487 4.969 ( 6.456 3.712 5.878) 9.487 5.250 ( 12.620 -4.568 -0.668) 13.438 5.250 ( 12.620 4.568 -0.668) 13.438 5.625 ( 7.092 -2.407 2.539) 7.908 5.625 ( 7.092 2.407 2.539) 7.908 5.786 ( 0.556 -6.165 -3.307) 7.019 5.786 ( 0.556 6.165 -3.307) 7.019 5.935 ( 10.882 -0.939 -1.341) 11.005 5.935 ( 10.882 0.939 -1.341) 11.005 6.141 ( 7.895 -3.154 -0.806) 8.539 6.141 ( 7.895 3.154 -0.806) 8.539 6.571 ( 5.051 -5.260 2.787) 7.807 6.571 ( 5.051 5.260 2.787) 7.807 6.720 ( 8.890 -5.666 -7.001) 12.655 6.720 ( 8.890 5.666 -7.001) 12.655 7.048 ( 9.935 -6.433 1.664) 11.952 7.048 ( 9.935 6.433 1.664) 11.952 7.320 ( 7.059 -4.246 2.451) 8.594 7.320 ( 7.059 4.246 2.451) 8.594 7.468 ( 4.619 -7.175 0.853) 8.576 7.468 ( 4.619 7.175 0.853) 8.576 7.647 ( -0.472 -6.782 0.053) 6.798 7.647 ( -0.472 6.782 0.053) 6.798 8.291 ( -7.372 -5.797 -0.830) 9.415 8.291 ( -7.372 5.797 -0.830) 9.415 8.479 ( -4.591 -14.529 -0.511) 15.245 8.479 ( -4.591 14.529 -0.511) 15.245 8.833 ( -4.996 -8.818 0.443) 10.144 8.833 ( -4.996 8.818 0.443) 10.144 8.953 ( -4.631 -2.709 5.454) 7.651 8.953 ( -4.631 2.709 5.454) 7.651 9.298 ( -2.117 -7.484 -5.301) 9.412 9.298 ( -2.117 7.484 -5.301) 9.412 9.567 ( 8.190 -3.274 -1.949) 9.033 9.567 ( 8.190 3.274 -1.949) 9.033 9.982 ( -12.791 -5.034 0.907) 13.776 9.982 ( -12.791 5.034 0.907) 13.776 10.098 ( -5.853 -3.044 -0.305) 6.605 10.098 ( -5.853 3.044 -0.305) 6.605 11.362 ( 8.356 -2.149 -2.056) 8.870 11.362 ( 8.356 2.149 -2.056) 8.870 11.544 ( -0.050 -7.921 1.884) 8.142 11.544 ( -0.050 7.921 1.884) 8.142 12.589 ( -1.181 -5.250 -3.786) 6.580 12.589 ( -1.181 5.250 -3.786) 6.580 12.767 ( -10.953 -5.861 3.188) 12.825 12.767 ( -10.953 5.861 3.188) 12.825 13.195 ( 0.869 -1.172 0.928) 1.729 13.195 ( 0.869 1.172 0.928) 1.729 13.479 ( 1.535 -3.631 0.496) 3.973 13.479 ( 1.535 3.631 0.496) 3.973 13.739 ( 6.395 -8.058 -0.650) 10.308 13.739 ( 6.395 8.058 -0.650) 10.308 14.128 ( 0.279 -7.982 3.676) 8.792 14.128 ( 0.279 7.982 3.676) 8.792 14.368 ( 1.273 -5.722 -3.432) 6.793 14.368 ( 1.273 5.722 -3.432) 6.793 14.656 ( 3.663 -5.890 2.271) 7.298 14.656 ( 3.663 5.890 2.271) 7.298 15.093 ( 2.872 -5.964 -1.822) 6.865 15.093 ( 2.872 5.964 -1.822) 6.865 15.519 ( -4.685 -8.864 1.796) 10.186 15.519 ( -4.685 8.864 1.796) 10.186 15.943 ( -7.363 -6.536 1.833) 10.014 15.943 ( -7.363 6.536 1.833) 10.014 16.134 ( -8.614 -2.226 -2.361) 9.205 16.134 ( -8.614 2.226 -2.361) 9.205 21.276 ( -1.144 -0.485 -0.580) 1.371 21.276 ( -1.144 0.485 -0.580) 1.371 21.337 ( -4.274 -0.565 0.171) 4.314 21.337 ( -4.274 0.565 0.171) 4.314 24.704 ( 1.071 -1.461 -0.730) 1.953 24.704 ( 1.071 1.461 -0.730) 1.953 24.748 ( -0.868 -2.639 0.587) 2.840 24.748 ( -0.868 2.639 0.587) 2.840 25.364 ( 7.030 -2.975 0.538) 7.653 25.364 ( 7.030 2.975 0.538) 7.653 25.557 ( 11.899 -3.937 -0.334) 12.537 25.557 ( 11.899 3.937 -0.334) 12.537 26.455 ( 7.477 -1.365 2.582) 8.027 26.455 ( 7.477 1.365 2.582) 8.027 26.562 ( 10.016 -1.188 -3.352) 10.628 26.562 ( 10.016 1.188 -3.352) 10.628 27.368 ( 2.097 -2.056 -4.677) 5.523 27.368 ( 2.097 2.056 -4.677) 5.523 27.572 ( -3.857 -2.795 4.272) 6.398 27.572 ( -3.857 2.795 4.272) 6.398 28.173 ( -4.541 -6.661 -2.906) 8.569 28.173 ( -4.541 6.661 -2.906) 8.569 28.529 ( 2.809 -4.048 3.971) 6.329 28.529 ( 2.809 4.048 3.971) 6.329 29.027 ( -1.604 -1.475 -4.667) 5.151 29.027 ( -1.604 1.475 -4.667) 5.151 29.243 ( -6.229 -2.861 5.367) 8.705 29.243 ( -6.229 2.861 5.367) 8.705 31.237 ( -1.178 -1.449 -0.851) 2.052 31.237 ( -1.178 1.449 -0.851) 2.052 32.012 ( -17.313 -4.175 -0.162) 17.810 32.012 ( -17.313 4.175 -0.162) 17.810 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.723 -17.225 3.304) 17.930 1.449 ( -3.723 17.225 3.304) 17.930 1.811 ( 9.000 -4.873 -3.194) 10.722 1.811 ( 9.000 4.873 -3.194) 10.722 2.198 ( 9.092 -5.322 -2.987) 10.951 2.198 ( 9.092 5.322 -2.987) 10.951 2.356 ( -0.135 -2.923 -0.884) 3.057 2.356 ( -0.135 2.923 -0.884) 3.057 2.425 ( 9.115 -5.382 3.618) 11.187 2.425 ( 9.115 5.382 3.618) 11.187 2.694 ( 2.862 -5.504 -3.357) 7.054 2.694 ( 2.862 5.504 -3.357) 7.054 2.881 ( -7.080 -0.679 4.031) 8.175 2.881 ( -7.080 0.679 4.031) 8.175 3.129 ( -6.246 -3.203 0.007) 7.019 3.129 ( -6.246 3.203 0.007) 7.019 3.381 ( 1.063 -5.183 -2.194) 5.728 3.381 ( 1.063 5.183 -2.194) 5.728 3.549 ( -1.562 -3.338 2.620) 4.521 3.549 ( -1.562 3.338 2.620) 4.521 3.919 ( 1.014 -0.934 1.771) 2.244 3.919 ( 1.014 0.934 1.771) 2.244 4.023 ( -0.281 -7.910 -6.489) 10.235 4.023 ( -0.281 7.910 -6.489) 10.235 4.273 ( -0.089 -7.051 2.177) 7.380 4.273 ( -0.089 7.051 2.177) 7.380 4.520 ( 4.508 -5.285 1.576) 7.123 4.520 ( 4.508 5.285 1.576) 7.123 4.678 ( 7.071 -1.976 2.589) 7.785 4.678 ( 7.071 1.976 2.589) 7.785 4.897 ( 9.084 -7.456 -1.650) 11.867 4.897 ( 9.084 7.456 -1.650) 11.867 5.121 ( 5.514 -6.039 2.290) 8.492 5.121 ( 5.514 6.039 2.290) 8.492 5.482 ( 9.845 -5.900 -0.255) 11.480 5.482 ( 9.845 5.900 -0.255) 11.480 5.739 ( 4.834 -2.905 -0.447) 5.658 5.739 ( 4.834 2.905 -0.447) 5.658 5.835 ( 7.720 -5.455 0.592) 9.471 5.835 ( 7.720 5.455 0.592) 9.471 6.073 ( 6.649 -2.083 -3.277) 7.699 6.073 ( 6.649 2.083 -3.277) 7.699 6.277 ( 4.024 -1.262 2.537) 4.922 6.277 ( 4.024 1.262 2.537) 4.922 6.733 ( 7.690 -1.329 -1.765) 8.001 6.733 ( 7.690 1.329 -1.765) 8.001 6.878 ( 14.471 -3.953 0.504) 15.010 6.878 ( 14.471 3.953 0.504) 15.010 7.257 ( 9.297 -3.338 2.032) 10.085 7.257 ( 9.297 3.338 2.032) 10.085 7.405 ( 2.472 -3.957 0.015) 4.665 7.405 ( 2.472 3.957 0.015) 4.665 7.577 ( 4.890 -5.488 -1.533) 7.509 7.577 ( 4.890 5.488 -1.533) 7.509 7.686 ( 5.766 -5.602 0.069) 8.040 7.686 ( 5.766 5.602 0.069) 8.040 8.164 ( -6.463 -7.657 1.105) 10.080 8.164 ( -6.463 7.657 1.105) 10.080 8.378 ( -4.657 -15.934 -3.138) 16.894 8.378 ( -4.657 15.934 -3.138) 16.894 8.756 ( -4.089 -8.600 1.272) 9.607 8.756 ( -4.089 8.600 1.272) 9.607 8.902 ( -3.751 -3.339 2.930) 5.814 8.902 ( -3.751 3.339 2.930) 5.814 9.223 ( -2.169 -7.181 -2.956) 8.063 9.223 ( -2.169 7.181 -2.956) 8.063 9.627 ( -2.488 -4.982 -4.457) 7.132 9.627 ( -2.488 4.982 -4.457) 7.132 9.786 ( -5.706 -1.462 3.893) 7.061 9.786 ( -5.706 1.462 3.893) 7.061 10.022 ( -2.934 -2.303 -0.036) 3.730 10.022 ( -2.934 2.303 -0.036) 3.730 11.460 ( 4.057 -5.653 -4.011) 8.031 11.460 ( 4.057 5.653 -4.011) 8.031 11.565 ( 0.444 -11.567 4.365) 12.371 11.565 ( 0.444 11.567 4.365) 12.371 12.533 ( -2.726 -4.061 -4.967) 6.971 12.533 ( -2.726 4.061 -4.967) 6.971 12.651 ( -3.001 -2.793 3.869) 5.637 12.651 ( -3.001 2.793 3.869) 5.637 13.217 ( 1.199 -1.063 0.001) 1.602 13.217 ( 1.199 1.063 0.001) 1.602 13.479 ( -2.181 -1.856 0.305) 2.880 13.479 ( -2.181 1.856 0.305) 2.880 13.856 ( 5.989 -7.738 -0.349) 9.791 13.856 ( 5.989 7.738 -0.349) 9.791 14.177 ( 1.918 -8.717 4.641) 10.060 14.177 ( 1.918 8.717 4.641) 10.060 14.381 ( 3.185 -5.806 -3.053) 7.292 14.381 ( 3.185 5.806 -3.053) 7.292 14.734 ( 2.673 -3.820 1.618) 4.935 14.734 ( 2.673 3.820 1.618) 4.935 15.150 ( 4.627 -3.863 -1.840) 6.302 15.150 ( 4.627 3.863 -1.840) 6.302 15.434 ( -5.060 -7.109 0.831) 8.766 15.434 ( -5.060 7.109 0.831) 8.766 15.789 ( -9.100 -7.759 -0.902) 11.993 15.789 ( -9.100 7.759 -0.902) 11.993 15.956 ( -9.594 -2.010 0.336) 9.808 15.956 ( -9.594 2.010 0.336) 9.808 21.246 ( -0.827 -0.947 -2.260) 2.587 21.246 ( -0.827 0.947 -2.260) 2.587 21.271 ( -3.604 -1.145 1.985) 4.270 21.271 ( -3.604 1.145 1.985) 4.270 24.697 ( -0.633 -0.413 -0.907) 1.181 24.697 ( -0.633 0.413 -0.907) 1.181 24.754 ( 0.324 -0.544 0.973) 1.160 24.754 ( 0.324 0.544 0.973) 1.160 25.486 ( 5.630 -3.258 0.748) 6.547 25.486 ( 5.630 3.258 0.748) 6.547 25.775 ( 10.899 -2.569 0.044) 11.198 25.775 ( 10.899 2.569 0.044) 11.198 26.598 ( 5.527 -2.153 1.630) 6.152 26.598 ( 5.527 2.153 1.630) 6.152 26.719 ( 8.713 -0.961 -1.197) 8.848 26.719 ( 8.713 0.961 -1.197) 8.848 27.368 ( 1.597 -3.429 -4.765) 6.084 27.368 ( 1.597 3.429 -4.765) 6.084 27.508 ( -5.422 -0.586 1.865) 5.763 27.508 ( -5.422 0.586 1.865) 5.763 28.114 ( -0.663 -4.733 0.629) 4.820 28.114 ( -0.663 4.733 0.629) 4.820 28.616 ( 2.626 -6.798 4.449) 8.538 28.616 ( 2.626 6.798 4.449) 8.538 28.950 ( -0.932 -2.654 -7.707) 8.205 28.950 ( -0.932 2.654 -7.707) 8.205 29.167 ( -6.496 -5.046 5.461) 9.873 29.167 ( -6.496 5.046 5.461) 9.873 31.219 ( 0.084 -1.289 -0.843) 1.542 31.219 ( 0.084 1.289 -0.843) 1.542 31.701 ( -15.379 -2.567 -0.399) 15.597 31.701 ( -15.379 2.567 -0.399) 15.597 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.053 -12.747 6.291) 14.254 1.454 ( 1.053 12.747 6.291) 14.254 1.889 ( 0.287 -4.034 -4.681) 6.186 1.889 ( 0.287 4.035 -4.681) 6.186 2.269 ( 1.329 -3.385 -2.098) 4.199 2.269 ( 1.329 3.385 -2.098) 4.199 2.395 ( 6.077 -2.755 3.011) 7.320 2.395 ( 6.077 2.755 3.011) 7.320 2.567 ( 3.060 -4.291 3.425) 6.286 2.567 ( 3.060 4.291 3.425) 6.286 2.758 ( 5.892 -0.879 -1.126) 6.063 2.758 ( 5.892 0.879 -1.126) 6.063 2.856 ( -1.475 -3.426 2.015) 4.240 2.856 ( -1.475 3.427 2.015) 4.240 2.994 ( -5.644 -1.695 -1.332) 6.042 2.994 ( -5.644 1.695 -1.332) 6.042 3.324 ( -3.503 -4.059 -2.855) 6.074 3.324 ( -3.503 4.059 -2.855) 6.074 3.523 ( -2.031 -4.389 -3.193) 5.795 3.523 ( -2.031 4.389 -3.193) 5.795 3.885 ( -3.562 -3.112 -1.287) 4.902 3.885 ( -3.562 3.112 -1.287) 4.902 4.038 ( 3.411 -5.583 1.479) 6.708 4.038 ( 3.411 5.583 1.479) 6.708 4.311 ( 1.272 -6.162 4.244) 7.590 4.311 ( 1.272 6.162 4.244) 7.590 4.554 ( -0.667 -5.896 -0.401) 5.947 4.554 ( -0.667 5.896 -0.401) 5.947 4.803 ( 4.302 -3.287 1.505) 5.619 4.803 ( 4.302 3.287 1.505) 5.619 5.045 ( 7.715 -6.806 -1.351) 10.377 5.045 ( 7.715 6.806 -1.351) 10.377 5.188 ( 0.382 -4.666 1.614) 4.952 5.188 ( 0.382 4.666 1.614) 4.952 5.543 ( -0.414 -2.959 -1.230) 3.232 5.543 ( -0.414 2.959 -1.230) 3.232 5.889 ( 10.480 -8.659 -2.854) 13.891 5.889 ( 10.480 8.659 -2.854) 13.891 5.976 ( 4.512 -8.276 3.446) 10.036 5.976 ( 4.512 8.276 3.446) 10.036 6.166 ( 4.387 -2.195 0.088) 4.907 6.166 ( 4.387 2.195 0.088) 4.907 6.314 ( -0.116 -1.875 -0.657) 1.990 6.314 ( -0.116 1.875 -0.657) 1.990 6.837 ( 5.495 -0.652 0.049) 5.534 6.837 ( 5.495 0.652 0.049) 5.534 7.120 ( 6.383 -0.747 -0.707) 6.465 7.120 ( 6.383 0.747 -0.707) 6.465 7.394 ( 5.816 -4.085 0.963) 7.172 7.394 ( 5.816 4.085 0.963) 7.172 7.463 ( 3.871 -6.843 0.289) 7.867 7.463 ( 3.871 6.843 0.289) 7.867 7.670 ( 6.663 -1.008 -0.204) 6.742 7.670 ( 6.663 1.008 -0.204) 6.742 7.786 ( 4.286 -5.816 -1.311) 7.343 7.786 ( 4.286 5.816 -1.311) 7.343 8.072 ( -4.510 -5.972 2.084) 7.768 8.072 ( -4.510 5.972 2.084) 7.768 8.266 ( -4.619 -12.000 -3.389) 13.297 8.266 ( -4.619 12.000 -3.389) 13.298 8.700 ( -2.530 -5.973 0.463) 6.504 8.700 ( -2.530 5.973 0.463) 6.504 8.871 ( -1.394 -2.792 1.288) 3.376 8.871 ( -1.394 2.792 1.288) 3.376 9.194 ( 1.046 -7.318 -0.557) 7.413 9.194 ( 1.046 7.318 -0.557) 7.413 9.445 ( -10.691 -7.310 -1.249) 13.011 9.445 ( -10.691 7.310 -1.249) 13.011 9.819 ( 3.027 -3.204 1.612) 4.693 9.819 ( 3.027 3.204 1.612) 4.693 9.976 ( -2.019 -0.205 -0.590) 2.114 9.976 ( -2.019 0.205 -0.590) 2.114 11.472 ( 0.430 -2.461 -1.242) 2.790 11.472 ( 0.430 2.461 -1.242) 2.790 11.611 ( 1.186 -6.084 1.851) 6.469 11.611 ( 1.186 6.084 1.851) 6.469 12.445 ( -2.628 -0.435 -2.446) 3.616 12.445 ( -2.628 0.435 -2.446) 3.616 12.672 ( 1.404 -1.353 1.387) 2.393 12.672 ( 1.404 1.353 1.387) 2.393 13.247 ( 2.462 -1.294 -0.584) 2.842 13.247 ( 2.462 1.294 -0.584) 2.842 13.413 ( -4.691 -0.285 0.396) 4.716 13.413 ( -4.691 0.285 0.396) 4.716 13.929 ( 2.149 -4.440 -0.027) 4.933 13.929 ( 2.149 4.440 -0.027) 4.933 14.253 ( 2.438 -2.914 1.962) 4.276 14.253 ( 2.438 2.914 1.962) 4.276 14.460 ( 6.744 -6.918 0.019) 9.661 14.460 ( 6.744 6.918 0.019) 9.661 14.755 ( -1.587 -2.975 0.150) 3.375 14.755 ( -1.587 2.975 0.150) 3.375 15.226 ( 4.813 -2.915 -1.684) 5.873 15.226 ( 4.813 2.915 -1.684) 5.873 15.364 ( -3.046 -3.615 0.648) 4.771 15.364 ( -3.046 3.615 0.648) 4.771 15.634 ( -5.355 -4.904 -1.820) 7.485 15.634 ( -5.355 4.904 -1.820) 7.485 15.790 ( -8.891 -1.120 1.557) 9.096 15.790 ( -8.891 1.120 1.557) 9.096 21.219 ( 0.186 -1.460 -2.825) 3.185 21.219 ( 0.186 1.460 -2.825) 3.185 21.233 ( -2.619 -1.699 2.734) 4.150 21.233 ( -2.619 1.699 2.734) 4.150 24.681 ( -0.349 -0.315 -0.519) 0.700 24.681 ( -0.349 0.315 -0.519) 0.700 24.763 ( 0.047 -0.280 0.581) 0.647 24.763 ( 0.047 0.280 0.581) 0.647 25.574 ( 3.259 -2.107 0.449) 3.907 25.574 ( 3.259 2.107 0.449) 3.907 25.934 ( 5.941 -1.362 0.163) 6.097 25.934 ( 5.941 1.362 0.163) 6.097 26.676 ( 2.300 -1.733 0.311) 2.896 26.676 ( 2.300 1.733 0.311) 2.896 26.853 ( 5.461 -0.578 0.874) 5.561 26.853 ( 5.461 0.578 0.874) 5.561 27.352 ( -0.113 -5.267 -3.140) 6.133 27.352 ( -0.113 5.267 -3.140) 6.133 27.424 ( -3.485 -3.647 -0.240) 5.050 27.424 ( -3.485 3.647 -0.240) 5.050 28.144 ( 1.802 -2.562 2.520) 4.020 28.144 ( 1.802 2.562 2.520) 4.020 28.664 ( -0.529 -5.905 1.944) 6.239 28.664 ( -0.529 5.905 1.944) 6.239 28.911 ( 2.734 -4.650 -5.829) 7.942 28.911 ( 2.734 4.650 -5.829) 7.942 29.088 ( -5.592 -5.637 3.648) 8.738 29.088 ( -5.592 5.637 3.648) 8.738 31.235 ( 2.430 -0.688 -0.740) 2.632 31.235 ( 2.430 0.688 -0.740) 2.632 31.459 ( -10.592 -1.404 0.044) 10.685 31.459 ( -10.592 1.404 0.044) 10.685 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 0.000 -0.000) 0.000 1.521 ( 0.000 -0.000 0.000) 0.000 1.825 ( 0.000 0.000 -0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 -0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 -0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 -0.000 0.000) 0.000 2.704 ( -0.000 0.000 -0.000) 0.000 2.704 ( -0.000 0.000 -0.000) 0.000 2.857 ( 0.000 0.000 -0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 -0.000 -0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.470 ( 0.000 0.000 -0.000) 0.000 3.470 ( 0.000 0.000 -0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 -0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 -0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 -0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 -0.000 0.000) 0.000 5.127 ( 0.000 -0.000 0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.524 ( 0.000 0.000 -0.000) 0.000 5.524 ( 0.000 0.000 -0.000) 0.000 6.001 ( 0.000 0.000 -0.000) 0.000 6.001 ( -0.000 0.000 0.000) 0.000 6.020 ( 0.000 -0.000 -0.000) 0.000 6.020 ( -0.000 -0.000 0.000) 0.000 6.214 ( 0.000 0.000 -0.000) 0.000 6.214 ( 0.000 0.000 -0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 -0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.484 ( -0.000 -0.000 -0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 -0.000 -0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 -0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 -0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 -0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 -0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.254 ( -0.000 -0.000 -0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 -0.000) 0.000 9.864 ( 0.000 0.000 -0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 -0.000) 0.000 9.947 ( 0.000 0.000 -0.000) 0.000 11.471 ( 0.000 0.000 -0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 -0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 -0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 -0.000 -0.000) 0.000 12.693 ( 0.000 0.000 -0.000) 0.000 13.286 ( 0.000 0.000 -0.000) 0.000 13.286 ( -0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 -0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 -0.000) 0.000 14.281 ( 0.000 0.000 -0.000) 0.000 14.562 ( 0.000 0.000 -0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 14.709 ( -0.000 0.000 -0.000) 0.000 14.709 ( 0.000 0.000 -0.000) 0.000 15.285 ( -0.000 -0.000 -0.000) 0.000 15.285 ( 0.000 0.000 -0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.589 ( 0.000 0.000 -0.000) 0.000 15.589 ( 0.000 0.000 0.000) 0.000 15.693 ( 0.000 0.000 -0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 21.213 ( 0.000 0.000 -0.000) 0.000 21.213 ( 0.000 -0.000 0.000) 0.000 21.216 ( 0.000 -0.000 0.000) 0.000 21.216 ( -0.000 0.000 0.000) 0.000 24.676 ( 0.000 0.000 0.000) 0.000 24.676 ( 0.000 0.000 0.000) 0.000 24.765 ( 0.000 0.000 0.000) 0.000 24.765 ( 0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 -0.000) 0.000 25.607 ( 0.000 0.000 0.000) 0.000 25.990 ( 0.000 0.000 -0.000) 0.000 25.990 ( 0.000 0.000 0.000) 0.000 26.696 ( 0.000 0.000 -0.000) 0.000 26.696 ( 0.000 0.000 -0.000) 0.000 26.911 ( 0.000 0.000 0.000) 0.000 26.911 ( 0.000 0.000 0.000) 0.000 27.331 ( 0.000 -0.000 0.000) 0.000 27.331 ( 0.000 0.000 0.000) 0.000 27.393 ( 0.000 0.000 -0.000) 0.000 27.393 ( 0.000 0.000 -0.000) 0.000 28.178 ( 0.000 0.000 -0.000) 0.000 28.178 ( 0.000 0.000 0.000) 0.000 28.655 ( 0.000 0.000 -0.000) 0.000 28.655 ( 0.000 0.000 0.000) 0.000 28.932 ( 0.000 0.000 -0.000) 0.000 28.932 ( 0.000 0.000 -0.000) 0.000 29.039 ( 0.000 -0.000 -0.000) 0.000 29.039 ( -0.000 -0.000 0.000) 0.000 31.292 ( 0.000 0.000 -0.000) 0.000 31.292 ( 0.000 0.000 0.000) 0.000 31.323 ( -0.000 0.000 -0.000) 0.000 31.323 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31680 10.0 87.363 117.013 168.132 0.000 -14.513 0.000 3/31680 20.0 24.037 21.273 35.789 0.000 0.121 0.000 3/31680 30.0 11.520 9.620 16.230 0.000 0.441 0.000 3/31680 40.0 7.329 6.068 9.943 0.000 0.350 0.000 3/31680 50.0 5.373 4.421 7.045 0.000 0.267 0.000 3/31680 60.0 4.271 3.481 5.422 0.000 0.208 0.000 3/31680 70.0 3.568 2.876 4.398 0.000 0.166 0.000 3/31680 80.0 3.081 2.457 3.699 0.000 0.136 0.000 3/31680 90.0 2.722 2.149 3.194 0.000 0.113 0.000 3/31680 100.0 2.445 1.915 2.813 0.000 0.096 0.000 3/31680 110.0 2.224 1.731 2.517 0.000 0.082 0.000 3/31680 120.0 2.043 1.582 2.279 0.000 0.071 0.000 3/31680 130.0 1.893 1.459 2.085 0.000 0.062 0.000 3/31680 140.0 1.766 1.356 1.924 0.000 0.054 0.000 3/31680 150.0 1.657 1.268 1.787 0.000 0.048 0.000 3/31680 160.0 1.562 1.192 1.670 0.000 0.042 0.000 3/31680 170.0 1.479 1.126 1.569 0.000 0.037 0.000 3/31680 180.0 1.406 1.067 1.480 0.000 0.032 0.000 3/31680 190.0 1.340 1.015 1.402 0.000 0.029 0.000 3/31680 200.0 1.282 0.969 1.333 0.000 0.025 0.000 3/31680 210.0 1.230 0.927 1.271 0.000 0.022 0.000 3/31680 220.0 1.182 0.889 1.215 0.000 0.019 0.000 3/31680 230.0 1.139 0.854 1.165 0.000 0.017 0.000 3/31680 240.0 1.099 0.823 1.119 0.000 0.014 0.000 3/31680 250.0 1.063 0.794 1.077 0.000 0.012 0.000 3/31680 260.0 1.030 0.767 1.038 0.000 0.010 0.000 3/31680 270.0 0.999 0.742 1.003 0.000 0.008 0.000 3/31680 280.0 0.970 0.719 0.970 0.000 0.007 0.000 3/31680 290.0 0.943 0.697 0.940 0.000 0.005 0.000 3/31680 300.0 0.918 0.677 0.911 0.000 0.004 0.000 3/31680 310.0 0.895 0.658 0.885 0.000 0.003 0.000 3/31680 320.0 0.873 0.640 0.860 0.000 0.001 0.000 3/31680 330.0 0.852 0.623 0.837 0.000 0.000 0.000 3/31680 340.0 0.832 0.607 0.815 0.000 -0.001 0.000 3/31680 350.0 0.814 0.592 0.794 0.000 -0.001 0.000 3/31680 360.0 0.796 0.578 0.774 0.000 -0.002 0.000 3/31680 370.0 0.779 0.564 0.756 0.000 -0.003 0.000 3/31680 380.0 0.763 0.551 0.738 0.000 -0.004 0.000 3/31680 390.0 0.747 0.539 0.722 0.000 -0.004 0.000 3/31680 400.0 0.733 0.527 0.706 0.000 -0.005 0.000 3/31680 410.0 0.719 0.516 0.690 0.000 -0.005 0.000 3/31680 420.0 0.705 0.506 0.676 0.000 -0.006 0.000 3/31680 430.0 0.692 0.495 0.662 0.000 -0.006 0.000 3/31680 440.0 0.680 0.485 0.649 0.000 -0.007 0.000 3/31680 450.0 0.667 0.476 0.636 0.000 -0.007 0.000 3/31680 460.0 0.656 0.467 0.624 0.000 -0.007 0.000 3/31680 470.0 0.645 0.458 0.612 0.000 -0.008 0.000 3/31680 480.0 0.634 0.450 0.601 0.000 -0.008 0.000 3/31680 490.0 0.623 0.442 0.590 0.000 -0.008 0.000 3/31680 500.0 0.613 0.434 0.579 0.000 -0.008 0.000 3/31680 510.0 0.604 0.426 0.569 0.000 -0.009 0.000 3/31680 520.0 0.594 0.419 0.559 0.000 -0.009 0.000 3/31680 530.0 0.585 0.412 0.550 0.000 -0.009 0.000 3/31680 540.0 0.576 0.405 0.541 0.000 -0.009 0.000 3/31680 550.0 0.567 0.399 0.532 0.000 -0.009 0.000 3/31680 560.0 0.559 0.392 0.523 0.000 -0.009 0.000 3/31680 570.0 0.551 0.386 0.515 0.000 -0.009 0.000 3/31680 580.0 0.543 0.380 0.507 0.000 -0.009 0.000 3/31680 590.0 0.535 0.374 0.499 0.000 -0.009 0.000 3/31680 600.0 0.528 0.369 0.492 0.000 -0.009 0.000 3/31680 610.0 0.520 0.363 0.484 0.000 -0.010 0.000 3/31680 620.0 0.513 0.358 0.477 0.000 -0.010 0.000 3/31680 630.0 0.506 0.353 0.470 0.000 -0.010 0.000 3/31680 640.0 0.500 0.348 0.464 0.000 -0.010 0.000 3/31680 650.0 0.493 0.343 0.457 0.000 -0.010 0.000 3/31680 660.0 0.487 0.338 0.451 0.000 -0.010 0.000 3/31680 670.0 0.480 0.333 0.445 0.000 -0.010 0.000 3/31680 680.0 0.474 0.329 0.439 0.000 -0.010 0.000 3/31680 690.0 0.468 0.325 0.433 0.000 -0.010 0.000 3/31680 700.0 0.463 0.320 0.427 0.000 -0.010 0.000 3/31680 710.0 0.457 0.316 0.422 0.000 -0.010 0.000 3/31680 720.0 0.451 0.312 0.416 0.000 -0.010 0.000 3/31680 730.0 0.446 0.308 0.411 0.000 -0.010 0.000 3/31680 740.0 0.441 0.304 0.406 0.000 -0.010 0.000 3/31680 750.0 0.436 0.301 0.401 0.000 -0.010 0.000 3/31680 760.0 0.431 0.297 0.396 0.000 -0.010 0.000 3/31680 770.0 0.426 0.293 0.391 0.000 -0.010 0.000 3/31680 780.0 0.421 0.290 0.387 0.000 -0.010 0.000 3/31680 790.0 0.416 0.286 0.382 0.000 -0.010 0.000 3/31680 800.0 0.412 0.283 0.378 0.000 -0.009 0.000 3/31680 810.0 0.407 0.280 0.373 0.000 -0.009 0.000 3/31680 820.0 0.403 0.277 0.369 0.000 -0.009 0.000 3/31680 830.0 0.398 0.274 0.365 0.000 -0.009 0.000 3/31680 840.0 0.394 0.270 0.361 0.000 -0.009 0.000 3/31680 850.0 0.390 0.267 0.357 0.000 -0.009 0.000 3/31680 860.0 0.386 0.265 0.353 0.000 -0.009 0.000 3/31680 870.0 0.382 0.262 0.349 0.000 -0.009 0.000 3/31680 880.0 0.378 0.259 0.345 0.000 -0.009 0.000 3/31680 890.0 0.374 0.256 0.342 0.000 -0.009 0.000 3/31680 900.0 0.370 0.254 0.338 0.000 -0.009 0.000 3/31680 910.0 0.367 0.251 0.335 0.000 -0.009 0.000 3/31680 920.0 0.363 0.248 0.331 0.000 -0.009 0.000 3/31680 930.0 0.359 0.246 0.328 0.000 -0.009 0.000 3/31680 940.0 0.356 0.243 0.325 0.000 -0.009 0.000 3/31680 950.0 0.352 0.241 0.321 0.000 -0.009 0.000 3/31680 960.0 0.349 0.239 0.318 0.000 -0.009 0.000 3/31680 970.0 0.346 0.236 0.315 0.000 -0.009 0.000 3/31680 980.0 0.343 0.234 0.312 0.000 -0.009 0.000 3/31680 990.0 0.339 0.232 0.309 0.000 -0.009 0.000 3/31680 1000.0 0.336 0.229 0.306 0.000 -0.009 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:35:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|