----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:27:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829389310007905 0.000000000000000 0.000000000000000 b 0.000000000000000 7.198296770000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): *1 Sr 0.70232113778224 0.65275280023623 0.42979135259005 87.620 2 Sr 0.29767886221776 0.15275280023623 0.07020864740995 87.620 3 Sr 0.29767886221776 0.34724719976377 0.57020864740995 87.620 4 Sr 0.70232113778224 0.84724719976377 0.92979135259005 87.620 *5 Sr 0.98204630886572 0.00280881213521 0.69996679559384 87.620 6 Sr 0.01795369113428 0.50280881213521 0.80003320440616 87.620 7 Sr 0.01795369113428 0.99719118786479 0.30003320440616 87.620 8 Sr 0.98204630886572 0.49719118786479 0.19996679559384 87.620 *9 Ge 0.65227343784265 0.21663324048554 0.41785090388513 72.640 10 Ge 0.34772656215735 0.71663324048554 0.08214909611487 72.640 11 Ge 0.34772656215735 0.78336675951446 0.58214909611487 72.640 12 Ge 0.65227343784265 0.28336675951446 0.91785090388513 72.640 *13 O 0.72673597266542 0.98086940353201 0.44003628622927 15.999 14 O 0.27326402733458 0.48086940353201 0.05996371377073 15.999 15 O 0.27326402733458 0.01913059646800 0.55996371377073 15.999 16 O 0.72673597266542 0.51913059646799 0.94003628622927 15.999 *17 O 0.73250126696905 0.33058796320156 0.57566155009068 15.999 18 O 0.26749873303095 0.83058796320156 0.92433844990932 15.999 19 O 0.26749873303095 0.66941203679844 0.42433844990932 15.999 20 O 0.73250126696905 0.16941203679844 0.07566155009068 15.999 *21 O 0.85850242785362 0.33180348298056 0.36242810655261 15.999 22 O 0.14149757214638 0.83180348298056 0.13757189344739 15.999 23 O 0.14149757214638 0.66819651701944 0.63757189344739 15.999 24 O 0.85850242785362 0.16819651701944 0.86242810655261 15.999 *25 O 0.32450626664152 0.25112483998432 0.30631887572537 15.999 26 O 0.67549373335848 0.75112483998432 0.19368112427463 15.999 27 O 0.67549373335848 0.74887516001568 0.69368112427463 15.999 28 O 0.32450626664152 0.24887516001568 0.80631887572537 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.829389310007905 0.000000000000000 0.000000000000000 b 0.000000000000000 7.198296770000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): *1 Sr 0.70232113778224 0.65275280023623 0.42979135259005 87.620 > 1 2 Sr 0.29767886221776 0.15275280023623 0.07020864740995 87.620 > 2 3 Sr 0.29767886221776 0.34724719976377 0.57020864740995 87.620 > 3 4 Sr 0.70232113778224 0.84724719976377 0.92979135259005 87.620 > 4 *5 Sr 0.98204630886572 0.00280881213521 0.69996679559384 87.620 > 5 6 Sr 0.01795369113428 0.50280881213521 0.80003320440616 87.620 > 6 7 Sr 0.01795369113428 0.99719118786479 0.30003320440616 87.620 > 7 8 Sr 0.98204630886572 0.49719118786479 0.19996679559384 87.620 > 8 *9 Ge 0.65227343784265 0.21663324048554 0.41785090388513 72.640 > 9 10 Ge 0.34772656215735 0.71663324048554 0.08214909611487 72.640 > 10 11 Ge 0.34772656215735 0.78336675951446 0.58214909611487 72.640 > 11 12 Ge 0.65227343784265 0.28336675951446 0.91785090388513 72.640 > 12 *13 O 0.72673597266542 0.98086940353201 0.44003628622927 15.999 > 13 14 O 0.27326402733458 0.48086940353201 0.05996371377073 15.999 > 14 15 O 0.27326402733458 0.01913059646800 0.55996371377073 15.999 > 15 16 O 0.72673597266542 0.51913059646799 0.94003628622927 15.999 > 16 *17 O 0.73250126696905 0.33058796320156 0.57566155009068 15.999 > 17 18 O 0.26749873303095 0.83058796320156 0.92433844990932 15.999 > 18 19 O 0.26749873303095 0.66941203679844 0.42433844990932 15.999 > 19 20 O 0.73250126696905 0.16941203679844 0.07566155009068 15.999 > 20 *21 O 0.85850242785362 0.33180348298056 0.36242810655261 15.999 > 21 22 O 0.14149757214638 0.83180348298056 0.13757189344739 15.999 > 22 23 O 0.14149757214638 0.66819651701944 0.63757189344739 15.999 > 23 24 O 0.85850242785362 0.16819651701944 0.86242810655261 15.999 > 24 *25 O 0.32450626664152 0.25112483998432 0.30631887572537 15.999 > 25 26 O 0.67549373335848 0.75112483998432 0.19368112427463 15.999 > 26 27 O 0.67549373335848 0.74887516001568 0.69368112427463 15.999 > 27 28 O 0.32450626664152 0.24887516001568 0.80631887572537 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.658778620015809 0.000000000000000 0.000000000000000 b 0.000000000000000 14.396593540000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): *1 Sr 0.35116056889112 0.32637640011811 0.42979135259005 87.620 > 1 2 Sr 0.85116056889112 0.32637640011811 0.42979135259005 87.620 > 1 3 Sr 0.35116056889112 0.82637640011811 0.42979135259005 87.620 > 1 4 Sr 0.85116056889112 0.82637640011811 0.42979135259005 87.620 > 1 5 Sr 0.14883943110888 0.07637640011811 0.07020864740995 87.620 > 2 6 Sr 0.64883943110888 0.07637640011811 0.07020864740995 87.620 > 2 7 Sr 0.14883943110888 0.57637640011811 0.07020864740995 87.620 > 2 8 Sr 0.64883943110888 0.57637640011811 0.07020864740995 87.620 > 2 9 Sr 0.14883943110888 0.17362359988189 0.57020864740995 87.620 > 3 10 Sr 0.64883943110888 0.17362359988189 0.57020864740995 87.620 > 3 11 Sr 0.14883943110888 0.67362359988189 0.57020864740995 87.620 > 3 12 Sr 0.64883943110888 0.67362359988189 0.57020864740995 87.620 > 3 13 Sr 0.35116056889112 0.42362359988189 0.92979135259005 87.620 > 4 14 Sr 0.85116056889112 0.42362359988189 0.92979135259005 87.620 > 4 15 Sr 0.35116056889112 0.92362359988189 0.92979135259005 87.620 > 4 16 Sr 0.85116056889112 0.92362359988189 0.92979135259005 87.620 > 4 *17 Sr 0.49102315443286 0.00140440606760 0.69996679559384 87.620 > 5 18 Sr 0.99102315443286 0.00140440606760 0.69996679559384 87.620 > 5 19 Sr 0.49102315443286 0.50140440606760 0.69996679559384 87.620 > 5 20 Sr 0.99102315443286 0.50140440606760 0.69996679559384 87.620 > 5 21 Sr 0.00897684556714 0.25140440606761 0.80003320440616 87.620 > 6 22 Sr 0.50897684556714 0.25140440606761 0.80003320440616 87.620 > 6 23 Sr 0.00897684556714 0.75140440606761 0.80003320440616 87.620 > 6 24 Sr 0.50897684556714 0.75140440606761 0.80003320440616 87.620 > 6 25 Sr 0.00897684556714 0.49859559393239 0.30003320440616 87.620 > 7 26 Sr 0.50897684556714 0.49859559393239 0.30003320440616 87.620 > 7 27 Sr 0.00897684556714 0.99859559393239 0.30003320440616 87.620 > 7 28 Sr 0.50897684556714 0.99859559393239 0.30003320440616 87.620 > 7 29 Sr 0.49102315443286 0.24859559393239 0.19996679559384 87.620 > 8 30 Sr 0.99102315443286 0.24859559393239 0.19996679559384 87.620 > 8 31 Sr 0.49102315443286 0.74859559393239 0.19996679559384 87.620 > 8 32 Sr 0.99102315443286 0.74859559393239 0.19996679559384 87.620 > 8 *33 Ge 0.32613671892132 0.10831662024277 0.41785090388513 72.640 > 9 34 Ge 0.82613671892132 0.10831662024277 0.41785090388513 72.640 > 9 35 Ge 0.32613671892132 0.60831662024277 0.41785090388513 72.640 > 9 36 Ge 0.82613671892132 0.60831662024277 0.41785090388513 72.640 > 9 37 Ge 0.17386328107868 0.35831662024277 0.08214909611487 72.640 > 10 38 Ge 0.67386328107868 0.35831662024277 0.08214909611487 72.640 > 10 39 Ge 0.17386328107868 0.85831662024277 0.08214909611487 72.640 > 10 40 Ge 0.67386328107868 0.85831662024277 0.08214909611487 72.640 > 10 41 Ge 0.17386328107868 0.39168337975723 0.58214909611487 72.640 > 11 42 Ge 0.67386328107868 0.39168337975723 0.58214909611487 72.640 > 11 43 Ge 0.17386328107868 0.89168337975723 0.58214909611487 72.640 > 11 44 Ge 0.67386328107868 0.89168337975723 0.58214909611487 72.640 > 11 45 Ge 0.32613671892132 0.14168337975723 0.91785090388513 72.640 > 12 46 Ge 0.82613671892132 0.14168337975723 0.91785090388513 72.640 > 12 47 Ge 0.32613671892132 0.64168337975723 0.91785090388513 72.640 > 12 48 Ge 0.82613671892132 0.64168337975723 0.91785090388513 72.640 > 12 *49 O 0.36336798633271 0.49043470176600 0.44003628622927 15.999 > 13 50 O 0.86336798633271 0.49043470176600 0.44003628622927 15.999 > 13 51 O 0.36336798633271 0.99043470176600 0.44003628622927 15.999 > 13 52 O 0.86336798633271 0.99043470176600 0.44003628622927 15.999 > 13 53 O 0.13663201366729 0.24043470176600 0.05996371377073 15.999 > 14 54 O 0.63663201366729 0.24043470176600 0.05996371377073 15.999 > 14 55 O 0.13663201366729 0.74043470176600 0.05996371377073 15.999 > 14 56 O 0.63663201366729 0.74043470176600 0.05996371377073 15.999 > 14 57 O 0.13663201366729 0.00956529823400 0.55996371377073 15.999 > 15 58 O 0.63663201366729 0.00956529823400 0.55996371377073 15.999 > 15 59 O 0.13663201366729 0.50956529823400 0.55996371377073 15.999 > 15 60 O 0.63663201366729 0.50956529823400 0.55996371377073 15.999 > 15 61 O 0.36336798633271 0.25956529823400 0.94003628622927 15.999 > 16 62 O 0.86336798633271 0.25956529823400 0.94003628622927 15.999 > 16 63 O 0.36336798633271 0.75956529823400 0.94003628622927 15.999 > 16 64 O 0.86336798633271 0.75956529823400 0.94003628622927 15.999 > 16 *65 O 0.36625063348453 0.16529398160078 0.57566155009068 15.999 > 17 66 O 0.86625063348453 0.16529398160078 0.57566155009068 15.999 > 17 67 O 0.36625063348453 0.66529398160078 0.57566155009068 15.999 > 17 68 O 0.86625063348453 0.66529398160078 0.57566155009068 15.999 > 17 69 O 0.13374936651547 0.41529398160078 0.92433844990932 15.999 > 18 70 O 0.63374936651547 0.41529398160078 0.92433844990932 15.999 > 18 71 O 0.13374936651547 0.91529398160078 0.92433844990932 15.999 > 18 72 O 0.63374936651547 0.91529398160078 0.92433844990932 15.999 > 18 73 O 0.13374936651547 0.33470601839922 0.42433844990932 15.999 > 19 74 O 0.63374936651547 0.33470601839922 0.42433844990932 15.999 > 19 75 O 0.13374936651547 0.83470601839922 0.42433844990932 15.999 > 19 76 O 0.63374936651547 0.83470601839922 0.42433844990932 15.999 > 19 77 O 0.36625063348453 0.08470601839922 0.07566155009068 15.999 > 20 78 O 0.86625063348453 0.08470601839922 0.07566155009068 15.999 > 20 79 O 0.36625063348453 0.58470601839922 0.07566155009068 15.999 > 20 80 O 0.86625063348453 0.58470601839922 0.07566155009068 15.999 > 20 *81 O 0.42925121392681 0.16590174149028 0.36242810655261 15.999 > 21 82 O 0.92925121392681 0.16590174149028 0.36242810655261 15.999 > 21 83 O 0.42925121392681 0.66590174149028 0.36242810655261 15.999 > 21 84 O 0.92925121392681 0.66590174149028 0.36242810655261 15.999 > 21 85 O 0.07074878607319 0.41590174149028 0.13757189344739 15.999 > 22 86 O 0.57074878607319 0.41590174149028 0.13757189344739 15.999 > 22 87 O 0.07074878607319 0.91590174149028 0.13757189344739 15.999 > 22 88 O 0.57074878607319 0.91590174149028 0.13757189344739 15.999 > 22 89 O 0.07074878607319 0.33409825850972 0.63757189344739 15.999 > 23 90 O 0.57074878607319 0.33409825850972 0.63757189344739 15.999 > 23 91 O 0.07074878607319 0.83409825850972 0.63757189344739 15.999 > 23 92 O 0.57074878607319 0.83409825850972 0.63757189344739 15.999 > 23 93 O 0.42925121392681 0.08409825850972 0.86242810655261 15.999 > 24 94 O 0.92925121392681 0.08409825850972 0.86242810655261 15.999 > 24 95 O 0.42925121392681 0.58409825850972 0.86242810655261 15.999 > 24 96 O 0.92925121392681 0.58409825850972 0.86242810655261 15.999 > 24 *97 O 0.16225313332076 0.12556241999216 0.30631887572537 15.999 > 25 98 O 0.66225313332076 0.12556241999216 0.30631887572537 15.999 > 25 99 O 0.16225313332076 0.62556241999216 0.30631887572537 15.999 > 25 100 O 0.66225313332076 0.62556241999216 0.30631887572537 15.999 > 25 101 O 0.33774686667924 0.37556241999216 0.19368112427463 15.999 > 26 102 O 0.83774686667924 0.37556241999216 0.19368112427463 15.999 > 26 103 O 0.33774686667924 0.87556241999216 0.19368112427463 15.999 > 26 104 O 0.83774686667924 0.87556241999216 0.19368112427463 15.999 > 26 105 O 0.33774686667924 0.37443758000784 0.69368112427463 15.999 > 27 106 O 0.83774686667924 0.37443758000784 0.69368112427463 15.999 > 27 107 O 0.33774686667924 0.87443758000784 0.69368112427463 15.999 > 27 108 O 0.83774686667924 0.87443758000784 0.69368112427463 15.999 > 27 109 O 0.16225313332076 0.12443758000784 0.80631887572537 15.999 > 28 110 O 0.66225313332076 0.12443758000784 0.80631887572537 15.999 > 28 111 O 0.16225313332076 0.62443758000784 0.80631887572537 15.999 > 28 112 O 0.66225313332076 0.62443758000784 0.80631887572537 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4895308 0.0000000 0.0278964 0.0000000 3.5580647 0.0000000 0.0278290 0.0000000 3.4318033 -------------------------- Born effective charges -------------------------- 1 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 2 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 3 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 4 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 5 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 6 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 7 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 8 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 9 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 10 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 11 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 12 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 13 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 14 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 15 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 16 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 17 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 18 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 19 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 20 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 21 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 22 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 23 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 24 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 25 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 26 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 27 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 28 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.156 Solver_block: 200 / 880 - Time: 0.949 Solver_block: 300 / 880 - Time: 0.944 Solver_block: 400 / 880 - Time: 0.950 Solver_block: 500 / 880 - Time: 0.935 Solver_block: 600 / 880 - Time: 0.954 Solver_block: 700 / 880 - Time: 0.963 Solver_block: 800 / 880 - Time: 0.940 Solver_block: 880 / 880 - Time: 0.766 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.731 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:28:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:28:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829389310007905 0.000000000000000 0.000000000000000 b 0.000000000000000 7.198296770000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): 1 Sr 0.70232113778224 0.65275280023623 0.42979135259005 87.620 2 Sr 0.29767886221776 0.15275280023623 0.07020864740995 87.620 3 Sr 0.29767886221776 0.34724719976377 0.57020864740995 87.620 4 Sr 0.70232113778224 0.84724719976377 0.92979135259005 87.620 5 Sr 0.98204630886572 0.00280881213521 0.69996679559384 87.620 6 Sr 0.01795369113428 0.50280881213521 0.80003320440616 87.620 7 Sr 0.01795369113428 0.99719118786479 0.30003320440616 87.620 8 Sr 0.98204630886572 0.49719118786479 0.19996679559384 87.620 9 Ge 0.65227343784265 0.21663324048554 0.41785090388513 72.640 10 Ge 0.34772656215735 0.71663324048554 0.08214909611487 72.640 11 Ge 0.34772656215735 0.78336675951446 0.58214909611487 72.640 12 Ge 0.65227343784265 0.28336675951446 0.91785090388513 72.640 13 O 0.72673597266542 0.98086940353201 0.44003628622927 15.999 14 O 0.27326402733458 0.48086940353201 0.05996371377073 15.999 15 O 0.27326402733458 0.01913059646800 0.55996371377073 15.999 16 O 0.72673597266542 0.51913059646799 0.94003628622927 15.999 17 O 0.73250126696905 0.33058796320156 0.57566155009068 15.999 18 O 0.26749873303095 0.83058796320156 0.92433844990932 15.999 19 O 0.26749873303095 0.66941203679844 0.42433844990932 15.999 20 O 0.73250126696905 0.16941203679844 0.07566155009068 15.999 21 O 0.85850242785362 0.33180348298056 0.36242810655261 15.999 22 O 0.14149757214638 0.83180348298056 0.13757189344739 15.999 23 O 0.14149757214638 0.66819651701944 0.63757189344739 15.999 24 O 0.85850242785362 0.16819651701944 0.86242810655261 15.999 25 O 0.32450626664152 0.25112483998432 0.30631887572537 15.999 26 O 0.67549373335848 0.75112483998432 0.19368112427463 15.999 27 O 0.67549373335848 0.74887516001568 0.69368112427463 15.999 28 O 0.32450626664152 0.24887516001568 0.80631887572537 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.658778620015809 0.000000000000000 0.000000000000000 b 0.000000000000000 14.396593540000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): 1 Sr 0.35116056889112 0.32637640011811 0.42979135259005 87.620 > 1 2 Sr 0.85116056889112 0.32637640011811 0.42979135259005 87.620 > 1 3 Sr 0.35116056889112 0.82637640011811 0.42979135259005 87.620 > 1 4 Sr 0.85116056889112 0.82637640011811 0.42979135259005 87.620 > 1 5 Sr 0.14883943110888 0.07637640011811 0.07020864740995 87.620 > 5 6 Sr 0.64883943110888 0.07637640011811 0.07020864740995 87.620 > 5 7 Sr 0.14883943110888 0.57637640011811 0.07020864740995 87.620 > 5 8 Sr 0.64883943110888 0.57637640011811 0.07020864740995 87.620 > 5 9 Sr 0.14883943110888 0.17362359988189 0.57020864740995 87.620 > 9 10 Sr 0.64883943110888 0.17362359988189 0.57020864740995 87.620 > 9 11 Sr 0.14883943110888 0.67362359988189 0.57020864740995 87.620 > 9 12 Sr 0.64883943110888 0.67362359988189 0.57020864740995 87.620 > 9 13 Sr 0.35116056889112 0.42362359988189 0.92979135259005 87.620 > 13 14 Sr 0.85116056889112 0.42362359988189 0.92979135259005 87.620 > 13 15 Sr 0.35116056889112 0.92362359988189 0.92979135259005 87.620 > 13 16 Sr 0.85116056889112 0.92362359988189 0.92979135259005 87.620 > 13 17 Sr 0.49102315443286 0.00140440606760 0.69996679559384 87.620 > 17 18 Sr 0.99102315443286 0.00140440606760 0.69996679559384 87.620 > 17 19 Sr 0.49102315443286 0.50140440606760 0.69996679559384 87.620 > 17 20 Sr 0.99102315443286 0.50140440606760 0.69996679559384 87.620 > 17 21 Sr 0.00897684556714 0.25140440606761 0.80003320440616 87.620 > 21 22 Sr 0.50897684556714 0.25140440606761 0.80003320440616 87.620 > 21 23 Sr 0.00897684556714 0.75140440606761 0.80003320440616 87.620 > 21 24 Sr 0.50897684556714 0.75140440606761 0.80003320440616 87.620 > 21 25 Sr 0.00897684556714 0.49859559393239 0.30003320440616 87.620 > 25 26 Sr 0.50897684556714 0.49859559393239 0.30003320440616 87.620 > 25 27 Sr 0.00897684556714 0.99859559393239 0.30003320440616 87.620 > 25 28 Sr 0.50897684556714 0.99859559393239 0.30003320440616 87.620 > 25 29 Sr 0.49102315443286 0.24859559393239 0.19996679559384 87.620 > 29 30 Sr 0.99102315443286 0.24859559393239 0.19996679559384 87.620 > 29 31 Sr 0.49102315443286 0.74859559393239 0.19996679559384 87.620 > 29 32 Sr 0.99102315443286 0.74859559393239 0.19996679559384 87.620 > 29 33 Ge 0.32613671892132 0.10831662024277 0.41785090388513 72.640 > 33 34 Ge 0.82613671892132 0.10831662024277 0.41785090388513 72.640 > 33 35 Ge 0.32613671892132 0.60831662024277 0.41785090388513 72.640 > 33 36 Ge 0.82613671892132 0.60831662024277 0.41785090388513 72.640 > 33 37 Ge 0.17386328107868 0.35831662024277 0.08214909611487 72.640 > 37 38 Ge 0.67386328107868 0.35831662024277 0.08214909611487 72.640 > 37 39 Ge 0.17386328107868 0.85831662024277 0.08214909611487 72.640 > 37 40 Ge 0.67386328107868 0.85831662024277 0.08214909611487 72.640 > 37 41 Ge 0.17386328107868 0.39168337975723 0.58214909611487 72.640 > 41 42 Ge 0.67386328107868 0.39168337975723 0.58214909611487 72.640 > 41 43 Ge 0.17386328107868 0.89168337975723 0.58214909611487 72.640 > 41 44 Ge 0.67386328107868 0.89168337975723 0.58214909611487 72.640 > 41 45 Ge 0.32613671892132 0.14168337975723 0.91785090388513 72.640 > 45 46 Ge 0.82613671892132 0.14168337975723 0.91785090388513 72.640 > 45 47 Ge 0.32613671892132 0.64168337975723 0.91785090388513 72.640 > 45 48 Ge 0.82613671892132 0.64168337975723 0.91785090388513 72.640 > 45 49 O 0.36336798633271 0.49043470176600 0.44003628622927 15.999 > 49 50 O 0.86336798633271 0.49043470176600 0.44003628622927 15.999 > 49 51 O 0.36336798633271 0.99043470176600 0.44003628622927 15.999 > 49 52 O 0.86336798633271 0.99043470176600 0.44003628622927 15.999 > 49 53 O 0.13663201366729 0.24043470176600 0.05996371377073 15.999 > 53 54 O 0.63663201366729 0.24043470176600 0.05996371377073 15.999 > 53 55 O 0.13663201366729 0.74043470176600 0.05996371377073 15.999 > 53 56 O 0.63663201366729 0.74043470176600 0.05996371377073 15.999 > 53 57 O 0.13663201366729 0.00956529823400 0.55996371377073 15.999 > 57 58 O 0.63663201366729 0.00956529823400 0.55996371377073 15.999 > 57 59 O 0.13663201366729 0.50956529823400 0.55996371377073 15.999 > 57 60 O 0.63663201366729 0.50956529823400 0.55996371377073 15.999 > 57 61 O 0.36336798633271 0.25956529823400 0.94003628622927 15.999 > 61 62 O 0.86336798633271 0.25956529823400 0.94003628622927 15.999 > 61 63 O 0.36336798633271 0.75956529823400 0.94003628622927 15.999 > 61 64 O 0.86336798633271 0.75956529823400 0.94003628622927 15.999 > 61 65 O 0.36625063348453 0.16529398160078 0.57566155009068 15.999 > 65 66 O 0.86625063348453 0.16529398160078 0.57566155009068 15.999 > 65 67 O 0.36625063348453 0.66529398160078 0.57566155009068 15.999 > 65 68 O 0.86625063348453 0.66529398160078 0.57566155009068 15.999 > 65 69 O 0.13374936651547 0.41529398160078 0.92433844990932 15.999 > 69 70 O 0.63374936651547 0.41529398160078 0.92433844990932 15.999 > 69 71 O 0.13374936651547 0.91529398160078 0.92433844990932 15.999 > 69 72 O 0.63374936651547 0.91529398160078 0.92433844990932 15.999 > 69 73 O 0.13374936651547 0.33470601839922 0.42433844990932 15.999 > 73 74 O 0.63374936651547 0.33470601839922 0.42433844990932 15.999 > 73 75 O 0.13374936651547 0.83470601839922 0.42433844990932 15.999 > 73 76 O 0.63374936651547 0.83470601839922 0.42433844990932 15.999 > 73 77 O 0.36625063348453 0.08470601839922 0.07566155009068 15.999 > 77 78 O 0.86625063348453 0.08470601839922 0.07566155009068 15.999 > 77 79 O 0.36625063348453 0.58470601839922 0.07566155009068 15.999 > 77 80 O 0.86625063348453 0.58470601839922 0.07566155009068 15.999 > 77 81 O 0.42925121392681 0.16590174149028 0.36242810655261 15.999 > 81 82 O 0.92925121392681 0.16590174149028 0.36242810655261 15.999 > 81 83 O 0.42925121392681 0.66590174149028 0.36242810655261 15.999 > 81 84 O 0.92925121392681 0.66590174149028 0.36242810655261 15.999 > 81 85 O 0.07074878607319 0.41590174149028 0.13757189344739 15.999 > 85 86 O 0.57074878607319 0.41590174149028 0.13757189344739 15.999 > 85 87 O 0.07074878607319 0.91590174149028 0.13757189344739 15.999 > 85 88 O 0.57074878607319 0.91590174149028 0.13757189344739 15.999 > 85 89 O 0.07074878607319 0.33409825850972 0.63757189344739 15.999 > 89 90 O 0.57074878607319 0.33409825850972 0.63757189344739 15.999 > 89 91 O 0.07074878607319 0.83409825850972 0.63757189344739 15.999 > 89 92 O 0.57074878607319 0.83409825850972 0.63757189344739 15.999 > 89 93 O 0.42925121392681 0.08409825850972 0.86242810655261 15.999 > 93 94 O 0.92925121392681 0.08409825850972 0.86242810655261 15.999 > 93 95 O 0.42925121392681 0.58409825850972 0.86242810655261 15.999 > 93 96 O 0.92925121392681 0.58409825850972 0.86242810655261 15.999 > 93 97 O 0.16225313332076 0.12556241999216 0.30631887572537 15.999 > 97 98 O 0.66225313332076 0.12556241999216 0.30631887572537 15.999 > 97 99 O 0.16225313332076 0.62556241999216 0.30631887572537 15.999 > 97 100 O 0.66225313332076 0.62556241999216 0.30631887572537 15.999 > 97 101 O 0.33774686667924 0.37556241999216 0.19368112427463 15.999 > 101 102 O 0.83774686667924 0.37556241999216 0.19368112427463 15.999 > 101 103 O 0.33774686667924 0.87556241999216 0.19368112427463 15.999 > 101 104 O 0.83774686667924 0.87556241999216 0.19368112427463 15.999 > 101 105 O 0.33774686667924 0.37443758000784 0.69368112427463 15.999 > 105 106 O 0.83774686667924 0.37443758000784 0.69368112427463 15.999 > 105 107 O 0.33774686667924 0.87443758000784 0.69368112427463 15.999 > 105 108 O 0.83774686667924 0.87443758000784 0.69368112427463 15.999 > 105 109 O 0.16225313332076 0.12443758000784 0.80631887572537 15.999 > 109 110 O 0.66225313332076 0.12443758000784 0.80631887572537 15.999 > 109 111 O 0.16225313332076 0.62443758000784 0.80631887572537 15.999 > 109 112 O 0.66225313332076 0.62443758000784 0.80631887572537 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4895308 0.0000000 0.0278964 0.0000000 3.5580647 0.0000000 0.0278290 0.0000000 3.4318033 -------------------------- Born effective charges -------------------------- 1 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 2 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 3 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 4 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 5 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 6 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 7 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 8 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 9 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 10 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 11 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 12 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 13 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 14 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 15 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 16 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 17 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 18 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 19 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 20 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 21 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 22 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 23 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 24 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 25 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 26 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 27 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 28 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:28:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:28:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829389310007905 0.000000000000000 0.000000000000000 b 0.000000000000000 7.198296770000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): 1 Sr 0.70232113778224 0.65275280023623 0.42979135259005 87.620 2 Sr 0.29767886221776 0.15275280023623 0.07020864740995 87.620 3 Sr 0.29767886221776 0.34724719976377 0.57020864740995 87.620 4 Sr 0.70232113778224 0.84724719976377 0.92979135259005 87.620 5 Sr 0.98204630886572 0.00280881213521 0.69996679559384 87.620 6 Sr 0.01795369113428 0.50280881213521 0.80003320440616 87.620 7 Sr 0.01795369113428 0.99719118786479 0.30003320440616 87.620 8 Sr 0.98204630886572 0.49719118786479 0.19996679559384 87.620 9 Ge 0.65227343784265 0.21663324048554 0.41785090388513 72.640 10 Ge 0.34772656215735 0.71663324048554 0.08214909611487 72.640 11 Ge 0.34772656215735 0.78336675951446 0.58214909611487 72.640 12 Ge 0.65227343784265 0.28336675951446 0.91785090388513 72.640 13 O 0.72673597266542 0.98086940353201 0.44003628622927 15.999 14 O 0.27326402733458 0.48086940353201 0.05996371377073 15.999 15 O 0.27326402733458 0.01913059646800 0.55996371377073 15.999 16 O 0.72673597266542 0.51913059646799 0.94003628622927 15.999 17 O 0.73250126696905 0.33058796320156 0.57566155009068 15.999 18 O 0.26749873303095 0.83058796320156 0.92433844990932 15.999 19 O 0.26749873303095 0.66941203679844 0.42433844990932 15.999 20 O 0.73250126696905 0.16941203679844 0.07566155009068 15.999 21 O 0.85850242785362 0.33180348298056 0.36242810655261 15.999 22 O 0.14149757214638 0.83180348298056 0.13757189344739 15.999 23 O 0.14149757214638 0.66819651701944 0.63757189344739 15.999 24 O 0.85850242785362 0.16819651701944 0.86242810655261 15.999 25 O 0.32450626664152 0.25112483998432 0.30631887572537 15.999 26 O 0.67549373335848 0.75112483998432 0.19368112427463 15.999 27 O 0.67549373335848 0.74887516001568 0.69368112427463 15.999 28 O 0.32450626664152 0.24887516001568 0.80631887572537 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.658778620015809 0.000000000000000 0.000000000000000 b 0.000000000000000 14.396593540000000 0.000000000000000 c -4.967845885932863 0.000000000000000 9.851712791199752 Atomic positions (fractional): 1 Sr 0.35116056889112 0.32637640011811 0.42979135259005 87.620 > 1 2 Sr 0.85116056889112 0.32637640011811 0.42979135259005 87.620 > 1 3 Sr 0.35116056889112 0.82637640011811 0.42979135259005 87.620 > 1 4 Sr 0.85116056889112 0.82637640011811 0.42979135259005 87.620 > 1 5 Sr 0.14883943110888 0.07637640011811 0.07020864740995 87.620 > 5 6 Sr 0.64883943110888 0.07637640011811 0.07020864740995 87.620 > 5 7 Sr 0.14883943110888 0.57637640011811 0.07020864740995 87.620 > 5 8 Sr 0.64883943110888 0.57637640011811 0.07020864740995 87.620 > 5 9 Sr 0.14883943110888 0.17362359988189 0.57020864740995 87.620 > 9 10 Sr 0.64883943110888 0.17362359988189 0.57020864740995 87.620 > 9 11 Sr 0.14883943110888 0.67362359988189 0.57020864740995 87.620 > 9 12 Sr 0.64883943110888 0.67362359988189 0.57020864740995 87.620 > 9 13 Sr 0.35116056889112 0.42362359988189 0.92979135259005 87.620 > 13 14 Sr 0.85116056889112 0.42362359988189 0.92979135259005 87.620 > 13 15 Sr 0.35116056889112 0.92362359988189 0.92979135259005 87.620 > 13 16 Sr 0.85116056889112 0.92362359988189 0.92979135259005 87.620 > 13 17 Sr 0.49102315443286 0.00140440606760 0.69996679559384 87.620 > 17 18 Sr 0.99102315443286 0.00140440606760 0.69996679559384 87.620 > 17 19 Sr 0.49102315443286 0.50140440606760 0.69996679559384 87.620 > 17 20 Sr 0.99102315443286 0.50140440606760 0.69996679559384 87.620 > 17 21 Sr 0.00897684556714 0.25140440606761 0.80003320440616 87.620 > 21 22 Sr 0.50897684556714 0.25140440606761 0.80003320440616 87.620 > 21 23 Sr 0.00897684556714 0.75140440606761 0.80003320440616 87.620 > 21 24 Sr 0.50897684556714 0.75140440606761 0.80003320440616 87.620 > 21 25 Sr 0.00897684556714 0.49859559393239 0.30003320440616 87.620 > 25 26 Sr 0.50897684556714 0.49859559393239 0.30003320440616 87.620 > 25 27 Sr 0.00897684556714 0.99859559393239 0.30003320440616 87.620 > 25 28 Sr 0.50897684556714 0.99859559393239 0.30003320440616 87.620 > 25 29 Sr 0.49102315443286 0.24859559393239 0.19996679559384 87.620 > 29 30 Sr 0.99102315443286 0.24859559393239 0.19996679559384 87.620 > 29 31 Sr 0.49102315443286 0.74859559393239 0.19996679559384 87.620 > 29 32 Sr 0.99102315443286 0.74859559393239 0.19996679559384 87.620 > 29 33 Ge 0.32613671892132 0.10831662024277 0.41785090388513 72.640 > 33 34 Ge 0.82613671892132 0.10831662024277 0.41785090388513 72.640 > 33 35 Ge 0.32613671892132 0.60831662024277 0.41785090388513 72.640 > 33 36 Ge 0.82613671892132 0.60831662024277 0.41785090388513 72.640 > 33 37 Ge 0.17386328107868 0.35831662024277 0.08214909611487 72.640 > 37 38 Ge 0.67386328107868 0.35831662024277 0.08214909611487 72.640 > 37 39 Ge 0.17386328107868 0.85831662024277 0.08214909611487 72.640 > 37 40 Ge 0.67386328107868 0.85831662024277 0.08214909611487 72.640 > 37 41 Ge 0.17386328107868 0.39168337975723 0.58214909611487 72.640 > 41 42 Ge 0.67386328107868 0.39168337975723 0.58214909611487 72.640 > 41 43 Ge 0.17386328107868 0.89168337975723 0.58214909611487 72.640 > 41 44 Ge 0.67386328107868 0.89168337975723 0.58214909611487 72.640 > 41 45 Ge 0.32613671892132 0.14168337975723 0.91785090388513 72.640 > 45 46 Ge 0.82613671892132 0.14168337975723 0.91785090388513 72.640 > 45 47 Ge 0.32613671892132 0.64168337975723 0.91785090388513 72.640 > 45 48 Ge 0.82613671892132 0.64168337975723 0.91785090388513 72.640 > 45 49 O 0.36336798633271 0.49043470176600 0.44003628622927 15.999 > 49 50 O 0.86336798633271 0.49043470176600 0.44003628622927 15.999 > 49 51 O 0.36336798633271 0.99043470176600 0.44003628622927 15.999 > 49 52 O 0.86336798633271 0.99043470176600 0.44003628622927 15.999 > 49 53 O 0.13663201366729 0.24043470176600 0.05996371377073 15.999 > 53 54 O 0.63663201366729 0.24043470176600 0.05996371377073 15.999 > 53 55 O 0.13663201366729 0.74043470176600 0.05996371377073 15.999 > 53 56 O 0.63663201366729 0.74043470176600 0.05996371377073 15.999 > 53 57 O 0.13663201366729 0.00956529823400 0.55996371377073 15.999 > 57 58 O 0.63663201366729 0.00956529823400 0.55996371377073 15.999 > 57 59 O 0.13663201366729 0.50956529823400 0.55996371377073 15.999 > 57 60 O 0.63663201366729 0.50956529823400 0.55996371377073 15.999 > 57 61 O 0.36336798633271 0.25956529823400 0.94003628622927 15.999 > 61 62 O 0.86336798633271 0.25956529823400 0.94003628622927 15.999 > 61 63 O 0.36336798633271 0.75956529823400 0.94003628622927 15.999 > 61 64 O 0.86336798633271 0.75956529823400 0.94003628622927 15.999 > 61 65 O 0.36625063348453 0.16529398160078 0.57566155009068 15.999 > 65 66 O 0.86625063348453 0.16529398160078 0.57566155009068 15.999 > 65 67 O 0.36625063348453 0.66529398160078 0.57566155009068 15.999 > 65 68 O 0.86625063348453 0.66529398160078 0.57566155009068 15.999 > 65 69 O 0.13374936651547 0.41529398160078 0.92433844990932 15.999 > 69 70 O 0.63374936651547 0.41529398160078 0.92433844990932 15.999 > 69 71 O 0.13374936651547 0.91529398160078 0.92433844990932 15.999 > 69 72 O 0.63374936651547 0.91529398160078 0.92433844990932 15.999 > 69 73 O 0.13374936651547 0.33470601839922 0.42433844990932 15.999 > 73 74 O 0.63374936651547 0.33470601839922 0.42433844990932 15.999 > 73 75 O 0.13374936651547 0.83470601839922 0.42433844990932 15.999 > 73 76 O 0.63374936651547 0.83470601839922 0.42433844990932 15.999 > 73 77 O 0.36625063348453 0.08470601839922 0.07566155009068 15.999 > 77 78 O 0.86625063348453 0.08470601839922 0.07566155009068 15.999 > 77 79 O 0.36625063348453 0.58470601839922 0.07566155009068 15.999 > 77 80 O 0.86625063348453 0.58470601839922 0.07566155009068 15.999 > 77 81 O 0.42925121392681 0.16590174149028 0.36242810655261 15.999 > 81 82 O 0.92925121392681 0.16590174149028 0.36242810655261 15.999 > 81 83 O 0.42925121392681 0.66590174149028 0.36242810655261 15.999 > 81 84 O 0.92925121392681 0.66590174149028 0.36242810655261 15.999 > 81 85 O 0.07074878607319 0.41590174149028 0.13757189344739 15.999 > 85 86 O 0.57074878607319 0.41590174149028 0.13757189344739 15.999 > 85 87 O 0.07074878607319 0.91590174149028 0.13757189344739 15.999 > 85 88 O 0.57074878607319 0.91590174149028 0.13757189344739 15.999 > 85 89 O 0.07074878607319 0.33409825850972 0.63757189344739 15.999 > 89 90 O 0.57074878607319 0.33409825850972 0.63757189344739 15.999 > 89 91 O 0.07074878607319 0.83409825850972 0.63757189344739 15.999 > 89 92 O 0.57074878607319 0.83409825850972 0.63757189344739 15.999 > 89 93 O 0.42925121392681 0.08409825850972 0.86242810655261 15.999 > 93 94 O 0.92925121392681 0.08409825850972 0.86242810655261 15.999 > 93 95 O 0.42925121392681 0.58409825850972 0.86242810655261 15.999 > 93 96 O 0.92925121392681 0.58409825850972 0.86242810655261 15.999 > 93 97 O 0.16225313332076 0.12556241999216 0.30631887572537 15.999 > 97 98 O 0.66225313332076 0.12556241999216 0.30631887572537 15.999 > 97 99 O 0.16225313332076 0.62556241999216 0.30631887572537 15.999 > 97 100 O 0.66225313332076 0.62556241999216 0.30631887572537 15.999 > 97 101 O 0.33774686667924 0.37556241999216 0.19368112427463 15.999 > 101 102 O 0.83774686667924 0.37556241999216 0.19368112427463 15.999 > 101 103 O 0.33774686667924 0.87556241999216 0.19368112427463 15.999 > 101 104 O 0.83774686667924 0.87556241999216 0.19368112427463 15.999 > 101 105 O 0.33774686667924 0.37443758000784 0.69368112427463 15.999 > 105 106 O 0.83774686667924 0.37443758000784 0.69368112427463 15.999 > 105 107 O 0.33774686667924 0.87443758000784 0.69368112427463 15.999 > 105 108 O 0.83774686667924 0.87443758000784 0.69368112427463 15.999 > 105 109 O 0.16225313332076 0.12443758000784 0.80631887572537 15.999 > 109 110 O 0.66225313332076 0.12443758000784 0.80631887572537 15.999 > 109 111 O 0.16225313332076 0.62443758000784 0.80631887572537 15.999 > 109 112 O 0.66225313332076 0.62443758000784 0.80631887572537 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4895308 0.0000000 0.0278964 0.0000000 3.5580647 0.0000000 0.0278290 0.0000000 3.4318033 -------------------------- Born effective charges -------------------------- 1 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 2 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 3 Sr 2.4365086 -0.0839262 0.0836779 -0.0393158 2.8203858 -0.0306193 -0.0284996 -0.0836610 2.2818736 4 Sr 2.4365086 0.0839262 0.0836779 0.0393158 2.8203858 0.0306193 -0.0284996 0.0836610 2.2818736 5 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 6 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 7 Sr 2.5043779 0.0980162 -0.1148905 -0.0444517 2.4247268 0.0384569 0.0304761 0.1539192 2.7327790 8 Sr 2.5043779 -0.0980162 -0.1148905 0.0444517 2.4247268 -0.0384569 0.0304761 -0.1539192 2.7327790 9 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 10 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 11 Ge 3.0317891 0.0424737 0.0908257 0.0028952 3.0011449 -0.0074111 0.0919417 0.0038040 2.7184405 12 Ge 3.0317891 -0.0424737 0.0908257 -0.0028952 3.0011449 0.0074111 0.0919417 -0.0038040 2.7184405 13 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 14 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 15 O -1.5572186 0.1408434 0.0372498 0.1583674 -2.7079383 0.1371092 0.0551237 0.1107502 -1.6560858 16 O -1.5572186 -0.1408434 0.0372498 -0.1583674 -2.7079383 -0.1371092 0.0551237 -0.1107502 -1.6560858 17 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 18 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 19 O -1.8559784 0.1142238 0.1142531 0.0826737 -1.8906006 -0.3138437 0.0439595 -0.3199352 -2.2739996 20 O -1.8559784 -0.1142238 0.1142531 -0.0826737 -1.8906006 0.3138437 0.0439595 0.3199352 -2.2739996 21 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 22 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 23 O -2.3195909 -0.2941989 0.2144518 -0.2528952 -1.9667114 0.1351266 0.2772918 0.1315841 -1.7269894 24 O -2.3195909 0.2941989 0.2144518 0.2528952 -1.9667114 -0.1351266 0.2772918 -0.1315841 -1.7269894 25 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 26 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 27 O -2.2398876 0.1041448 -0.4255679 0.0574060 -1.6810072 0.1142013 -0.4702932 0.0108658 -2.0760184 28 O -2.2398876 -0.1041448 -0.4255679 -0.0574060 -1.6810072 -0.1142013 -0.4702932 -0.0108658 -2.0760184 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 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 1.936 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.896 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.560 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.457 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 0.000 0.000) 0.000 12.154 ( 0.000 0.000 0.000) 0.000 19.173 ( 0.000 0.000 0.000) 0.000 19.550 ( 0.000 0.000 0.000) 0.000 19.620 ( 0.000 0.000 0.000) 0.000 20.118 ( 0.000 0.000 0.000) 0.000 20.372 ( 0.000 0.000 0.000) 0.000 20.431 ( 0.000 0.000 0.000) 0.000 20.621 ( 0.000 0.000 0.000) 0.000 20.812 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.445 ( 0.000 0.000 0.000) 0.000 21.757 ( 0.000 0.000 0.000) 0.000 21.898 ( 0.000 0.000 0.000) 0.000 22.591 ( 0.000 0.000 0.000) 0.000 22.655 ( 0.000 0.000 0.000) 0.000 22.988 ( 0.000 0.000 0.000) 0.000 23.176 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 25.090 0.000 9.236) 26.736 0.541 ( 24.680 0.000 12.233) 27.546 0.952 ( 41.473 0.000 22.856) 47.354 1.949 ( 7.263 0.000 -5.341) 9.016 2.177 ( 1.983 0.000 -9.789) 9.988 2.286 ( 2.595 0.000 11.904) 12.184 2.618 ( 4.123 0.000 10.752) 11.515 2.643 ( -9.227 0.000 3.532) 9.880 2.859 ( -0.337 0.000 1.691) 1.724 2.925 ( -4.067 0.000 -3.950) 5.670 3.085 ( 1.055 0.000 2.173) 2.416 3.141 ( -0.289 0.000 -1.617) 1.643 3.225 ( 2.233 0.000 -4.593) 5.107 3.310 ( -2.751 0.000 1.115) 2.968 3.334 ( -2.140 0.000 -1.993) 2.924 3.543 ( -3.574 0.000 -6.204) 7.160 3.692 ( -9.128 0.000 -0.704) 9.155 3.741 ( -4.724 0.000 1.453) 4.943 3.748 ( -0.915 0.000 2.032) 2.228 3.859 ( -4.078 0.000 2.691) 4.885 3.993 ( -0.047 0.000 -0.603) 0.605 4.039 ( 2.777 0.000 1.275) 3.055 4.074 ( 0.547 0.000 -1.445) 1.545 4.365 ( 6.860 0.000 1.061) 6.942 4.383 ( -4.100 0.000 1.345) 4.315 4.610 ( 8.689 0.000 -9.742) 13.054 4.695 ( 6.210 0.000 -13.348) 14.722 4.815 ( -1.825 0.000 -9.190) 9.370 4.908 ( 3.643 0.000 -0.756) 3.720 4.983 ( -0.315 0.000 -1.764) 1.792 5.151 ( -3.099 0.000 -5.094) 5.963 5.279 ( -5.034 0.000 -2.311) 5.539 5.452 ( -0.501 0.000 -2.315) 2.369 5.605 ( -1.388 0.000 1.586) 2.107 5.738 ( -0.083 0.000 8.872) 8.873 5.811 ( 4.437 0.000 1.899) 4.827 5.874 ( -1.151 0.000 4.459) 4.605 5.965 ( -9.890 0.000 2.961) 10.323 5.994 ( -1.746 0.000 2.235) 2.836 6.059 ( -0.001 0.000 2.147) 2.147 6.157 ( 6.782 0.000 -1.083) 6.868 6.386 ( 4.591 0.000 0.310) 4.602 6.476 ( 3.990 0.000 0.901) 4.090 6.823 ( 4.744 0.000 -4.915) 6.831 6.986 ( 4.005 0.000 -1.916) 4.440 7.059 ( 1.183 0.000 0.337) 1.230 7.104 ( -12.212 0.000 6.124) 13.662 7.156 ( 1.066 0.000 -0.857) 1.367 8.393 ( -7.362 0.000 7.172) 10.277 8.615 ( 10.117 0.000 -4.315) 10.998 8.834 ( -8.783 0.000 -3.824) 9.580 9.064 ( -3.003 0.000 -5.379) 6.160 9.440 ( -1.148 0.000 7.469) 7.556 9.678 ( -7.039 0.000 0.331) 7.046 9.696 ( -3.064 0.000 -13.776) 14.113 9.906 ( 0.139 0.000 -3.747) 3.750 10.125 ( 7.051 0.000 2.596) 7.514 10.194 ( 11.996 0.000 -2.533) 12.261 10.545 ( -1.130 0.000 6.915) 7.007 10.754 ( 2.843 0.000 5.313) 6.026 11.341 ( -3.946 0.000 -7.650) 8.608 11.390 ( 3.280 0.000 -0.503) 3.318 11.450 ( 6.631 0.000 -3.383) 7.444 11.499 ( -0.368 0.000 2.158) 2.189 11.622 ( 5.888 0.000 4.099) 7.174 11.930 ( -0.607 0.000 -2.705) 2.772 12.128 ( -3.503 0.000 1.203) 3.704 12.427 ( -3.466 0.000 9.006) 9.650 19.177 ( 0.285 0.000 0.342) 0.445 19.556 ( 0.677 0.000 -0.066) 0.680 19.629 ( 2.274 0.000 -3.233) 3.952 20.153 ( 1.405 0.000 3.292) 3.580 20.461 ( 3.334 0.000 0.222) 3.341 20.534 ( -5.624 0.000 -2.113) 6.008 20.894 ( 6.449 0.000 1.249) 6.569 21.101 ( 4.008 0.000 -7.115) 8.166 21.424 ( -2.488 0.000 0.278) 2.503 21.738 ( -3.032 0.000 0.629) 3.097 21.875 ( 0.507 0.000 -5.014) 5.039 22.486 ( -4.337 0.000 5.356) 6.892 22.625 ( 1.882 0.000 2.782) 3.359 22.658 ( 0.924 0.000 -0.957) 1.331 22.983 ( -1.083 0.000 1.034) 1.497 23.324 ( -1.825 0.000 -0.204) 1.837 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 22.501 0.000 7.297) 23.655 1.046 ( 22.613 0.000 9.862) 24.670 1.764 ( 30.232 0.000 18.309) 35.344 2.096 ( 8.711 0.000 2.883) 9.175 2.169 ( 7.168 0.000 -8.713) 11.283 2.296 ( -9.416 0.000 0.350) 9.423 2.559 ( -4.935 0.000 8.230) 9.596 2.760 ( 0.540 0.000 8.101) 8.119 2.827 ( -4.970 0.000 0.175) 4.973 2.864 ( -2.288 0.000 4.405) 4.964 3.091 ( -2.993 0.000 1.151) 3.206 3.118 ( -0.143 0.000 -2.107) 2.112 3.151 ( -2.423 0.000 -5.877) 6.357 3.261 ( -4.371 0.000 2.892) 5.241 3.275 ( -3.984 0.000 -4.869) 6.291 3.414 ( -7.073 0.000 -4.655) 8.468 3.501 ( -6.097 0.000 -2.066) 6.438 3.716 ( 2.085 0.000 0.933) 2.284 3.744 ( -3.054 0.000 0.949) 3.198 3.818 ( -4.614 0.000 5.563) 7.228 3.951 ( -3.219 0.000 -3.867) 5.032 4.024 ( 1.330 0.000 -8.259) 8.365 4.102 ( 4.335 0.000 -1.661) 4.642 4.341 ( 0.320 0.000 -1.194) 1.236 4.467 ( -1.617 0.000 -5.436) 5.671 4.608 ( -4.697 0.000 -1.541) 4.944 4.711 ( -0.393 0.000 -6.914) 6.925 4.740 ( 9.701 0.000 -3.470) 10.302 4.975 ( 3.184 0.000 -5.688) 6.519 4.993 ( 7.989 0.000 -5.136) 9.498 5.057 ( 0.676 0.000 0.390) 0.780 5.244 ( 2.315 0.000 0.096) 2.317 5.436 ( 1.696 0.000 -2.008) 2.628 5.606 ( 0.936 0.000 0.175) 0.952 5.754 ( -3.417 0.000 4.955) 6.019 5.891 ( -2.533 0.000 6.269) 6.761 5.896 ( 3.532 0.000 -0.475) 3.563 5.904 ( -4.879 0.000 8.535) 9.831 6.037 ( 3.086 0.000 3.394) 4.587 6.095 ( 2.403 0.000 3.303) 4.085 6.254 ( 3.950 0.000 0.866) 4.044 6.332 ( -5.750 0.000 -0.561) 5.777 6.615 ( 5.177 0.000 2.376) 5.696 6.816 ( -4.356 0.000 -3.948) 5.879 6.921 ( -7.560 0.000 -1.839) 7.780 7.058 ( 5.787 0.000 -1.163) 5.903 7.105 ( 4.734 0.000 -1.355) 4.925 7.176 ( 2.153 0.000 -0.938) 2.349 8.354 ( -5.922 0.000 9.415) 11.123 8.607 ( -12.161 0.000 -5.012) 13.153 8.736 ( 6.740 0.000 -2.752) 7.281 8.943 ( -4.241 0.000 -6.923) 8.118 9.440 ( -11.850 0.000 -1.004) 11.893 9.472 ( -4.312 0.000 9.141) 10.107 9.661 ( 2.343 0.000 -7.865) 8.207 9.908 ( 3.372 0.000 -3.264) 4.693 10.262 ( 6.879 0.000 1.314) 7.003 10.344 ( 9.165 0.000 -3.715) 9.890 10.612 ( 0.161 0.000 10.032) 10.034 10.862 ( 4.831 0.000 1.645) 5.103 11.225 ( -3.156 0.000 -3.541) 4.743 11.436 ( 3.220 0.000 -1.230) 3.447 11.509 ( -2.394 0.000 5.115) 5.648 11.568 ( 8.877 0.000 -3.769) 9.644 11.766 ( 7.855 0.000 2.464) 8.232 11.876 ( -1.284 0.000 -6.293) 6.422 12.073 ( -4.183 0.000 3.363) 5.367 12.445 ( -1.501 0.000 4.564) 4.804 19.189 ( 0.565 0.000 0.619) 0.838 19.571 ( 1.183 0.000 -0.300) 1.220 19.642 ( 1.359 0.000 -1.037) 1.709 20.151 ( -7.010 0.000 3.754) 7.952 20.493 ( 4.837 0.000 -2.129) 5.285 20.546 ( 6.056 0.000 0.358) 6.066 21.021 ( 6.181 0.000 2.678) 6.736 21.109 ( 2.089 0.000 -3.234) 3.850 21.367 ( -4.463 0.000 0.400) 4.480 21.649 ( -7.980 0.000 0.959) 8.037 21.853 ( 3.755 0.000 -8.149) 8.973 22.460 ( -2.041 0.000 1.482) 2.522 22.671 ( 1.831 0.000 -1.576) 2.416 22.690 ( 2.766 0.000 2.628) 3.815 22.968 ( -2.079 0.000 1.711) 2.693 23.277 ( -2.935 0.000 -0.870) 3.061 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 17.348 0.000 4.315) 17.877 1.469 ( 18.477 0.000 5.116) 19.173 1.989 ( -19.738 0.000 2.539) 19.901 2.192 ( 11.339 0.000 -1.265) 11.409 2.313 ( 10.532 0.000 -6.546) 12.401 2.318 ( 9.250 0.000 5.137) 10.581 2.518 ( -7.901 0.000 7.756) 11.072 2.725 ( -7.196 0.000 2.710) 7.690 2.749 ( -6.405 0.000 1.791) 6.650 2.842 ( -5.531 0.000 5.508) 7.805 3.003 ( -3.659 0.000 -0.879) 3.763 3.059 ( -8.256 0.000 -3.029) 8.794 3.107 ( -0.417 0.000 -1.854) 1.901 3.177 ( 0.275 0.000 -1.728) 1.750 3.224 ( -4.330 0.000 0.539) 4.363 3.285 ( -2.799 0.000 6.269) 6.865 3.485 ( 4.236 0.000 -2.895) 5.131 3.667 ( -4.892 0.000 -1.163) 5.028 3.774 ( -0.294 0.000 0.371) 0.474 3.808 ( -2.035 0.000 4.848) 5.258 3.857 ( 0.040 0.000 -6.077) 6.078 4.023 ( 8.028 0.000 -9.209) 12.216 4.146 ( 1.000 0.000 1.810) 2.068 4.273 ( -8.794 0.000 -8.787) 12.432 4.376 ( 4.832 0.000 -2.721) 5.545 4.503 ( -3.254 0.000 -1.736) 3.688 4.663 ( -0.507 0.000 -3.015) 3.057 4.821 ( -1.997 0.000 4.201) 4.652 4.985 ( 4.055 0.000 -5.763) 7.047 5.080 ( 4.800 0.000 0.167) 4.803 5.116 ( 6.706 0.000 -6.760) 9.522 5.469 ( 18.782 0.000 4.389) 19.288 5.484 ( 5.174 0.000 -1.652) 5.432 5.645 ( 2.936 0.000 0.151) 2.940 5.747 ( -2.533 0.000 4.790) 5.418 5.892 ( -3.269 0.000 5.572) 6.460 5.904 ( -1.918 0.000 6.016) 6.314 5.920 ( -0.817 0.000 -0.393) 0.907 6.093 ( 1.407 0.000 1.615) 2.142 6.193 ( 2.595 0.000 -2.237) 3.426 6.229 ( -4.783 0.000 -0.144) 4.785 6.302 ( 2.563 0.000 3.580) 4.403 6.641 ( -10.190 0.000 4.112) 10.989 6.654 ( -3.129 0.000 2.686) 4.123 6.840 ( 0.380 0.000 -8.401) 8.409 7.160 ( 3.713 0.000 4.005) 5.462 7.182 ( 7.994 0.000 -6.203) 10.119 7.203 ( 1.186 0.000 -0.507) 1.290 8.338 ( -5.730 0.000 9.184) 10.825 8.365 ( -10.482 0.000 -4.153) 11.275 8.771 ( 0.884 0.000 -4.395) 4.483 8.811 ( -4.245 0.000 -6.383) 7.666 9.294 ( -4.698 0.000 0.638) 4.741 9.440 ( -6.716 0.000 5.917) 8.950 9.635 ( 1.233 0.000 -4.977) 5.128 9.956 ( 4.202 0.000 -1.336) 4.410 10.395 ( 7.169 0.000 2.172) 7.491 10.462 ( 7.504 0.000 -1.484) 7.649 10.707 ( 0.958 0.000 8.491) 8.545 10.903 ( 3.101 0.000 -8.401) 8.955 11.198 ( -0.541 0.000 4.522) 4.555 11.474 ( 2.260 0.000 -1.900) 2.953 11.498 ( -4.205 0.000 5.149) 6.648 11.635 ( 1.749 0.000 -3.280) 3.717 11.783 ( -2.126 0.000 -6.845) 7.167 11.935 ( 9.389 0.000 1.914) 9.582 12.075 ( 1.035 0.000 3.680) 3.823 12.445 ( -2.313 0.000 2.475) 3.387 19.206 ( 0.709 0.000 0.711) 1.004 19.589 ( 1.352 0.000 -0.595) 1.477 19.655 ( 0.734 0.000 -0.347) 0.812 20.018 ( -9.091 0.000 1.120) 9.159 20.620 ( 9.162 0.000 -0.028) 9.162 20.668 ( 7.619 0.000 0.377) 7.629 21.114 ( 0.845 0.000 -1.720) 1.917 21.144 ( 4.579 0.000 3.360) 5.679 21.283 ( -5.516 0.000 0.273) 5.523 21.502 ( -9.103 0.000 0.705) 9.130 21.858 ( 4.536 0.000 -7.569) 8.824 22.442 ( -1.043 0.000 0.513) 1.162 22.694 ( 2.480 0.000 -1.713) 3.014 22.760 ( 2.892 0.000 2.113) 3.582 22.942 ( -2.707 0.000 1.864) 3.287 23.213 ( -3.325 0.000 -1.137) 3.514 ======================= Grid point 4 (5/104) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 6.430 0.000 0.133) 6.432 1.687 ( -13.653 0.000 -1.839) 13.776 1.736 ( 9.328 0.000 -0.169) 9.329 2.257 ( -5.355 0.000 -4.467) 6.973 2.324 ( -2.674 0.000 -5.051) 5.715 2.346 ( 7.741 0.000 -1.296) 7.849 2.583 ( 0.354 0.000 10.947) 10.953 2.657 ( 3.078 0.000 -8.246) 8.802 2.753 ( -0.109 0.000 13.327) 13.328 2.771 ( -6.819 0.000 6.346) 9.315 2.890 ( -8.027 0.000 -0.484) 8.042 2.978 ( -2.042 0.000 3.359) 3.931 3.045 ( -3.220 0.000 -3.075) 4.453 3.135 ( -2.967 0.000 -3.688) 4.734 3.186 ( 0.039 0.000 0.769) 0.770 3.387 ( 2.173 0.000 7.329) 7.645 3.522 ( 2.624 0.000 -5.737) 6.308 3.580 ( -0.833 0.000 -0.288) 0.881 3.694 ( -3.740 0.000 -4.597) 5.926 3.787 ( -4.735 0.000 0.645) 4.779 3.858 ( 1.349 0.000 -0.047) 1.350 4.052 ( -4.284 0.000 -1.396) 4.506 4.156 ( 8.262 0.000 -10.259) 13.172 4.216 ( 3.273 0.000 6.483) 7.262 4.421 ( 3.256 0.000 -4.723) 5.737 4.478 ( 0.363 0.000 -0.574) 0.679 4.649 ( -0.020 0.000 0.568) 0.568 4.785 ( -4.189 0.000 2.777) 5.026 5.045 ( 7.715 0.000 -2.198) 8.022 5.119 ( 0.724 0.000 1.686) 1.835 5.212 ( 7.036 0.000 -3.720) 7.959 5.556 ( 4.681 0.000 -2.691) 5.399 5.678 ( -2.587 0.000 1.968) 3.250 5.685 ( 1.880 0.000 -0.315) 1.906 5.806 ( -10.754 0.000 -3.472) 11.301 5.814 ( 8.658 0.000 -0.087) 8.659 5.901 ( -0.328 0.000 3.865) 3.879 5.955 ( 4.368 0.000 1.752) 4.706 6.110 ( -1.272 0.000 0.249) 1.296 6.148 ( 0.509 0.000 -0.958) 1.085 6.214 ( 1.523 0.000 4.780) 5.017 6.445 ( 6.159 0.000 5.048) 7.963 6.571 ( -7.930 0.000 2.090) 8.200 6.581 ( -3.651 0.000 5.717) 6.783 6.778 ( 1.581 0.000 -8.798) 8.939 7.193 ( 0.826 0.000 -3.091) 3.199 7.199 ( -1.334 0.000 0.045) 1.335 7.300 ( 6.140 0.000 1.563) 6.336 8.200 ( -5.338 0.000 -2.031) 5.711 8.308 ( -4.960 0.000 5.609) 7.488 8.694 ( -3.390 0.000 -4.569) 5.689 8.728 ( -0.535 0.000 -3.795) 3.833 9.263 ( -0.919 0.000 1.174) 1.491 9.367 ( -5.143 0.000 2.371) 5.663 9.619 ( 0.602 0.000 -2.380) 2.455 10.013 ( 2.722 0.000 -0.068) 2.723 10.545 ( 7.163 0.000 3.032) 7.778 10.575 ( 5.498 0.000 0.943) 5.579 10.770 ( -0.555 0.000 4.319) 4.355 10.856 ( 0.722 0.000 -8.088) 8.120 11.251 ( 1.669 0.000 3.597) 3.966 11.456 ( -4.632 0.000 3.296) 5.685 11.461 ( -1.608 0.000 -2.023) 2.584 11.594 ( -1.019 0.000 -4.465) 4.580 11.720 ( -0.748 0.000 -1.595) 1.762 12.109 ( 8.640 0.000 1.471) 8.764 12.141 ( 2.676 0.000 1.847) 3.251 12.404 ( -4.033 0.000 0.839) 4.119 19.223 ( 0.522 0.000 0.493) 0.718 19.605 ( 1.059 0.000 -0.587) 1.211 19.661 ( 0.249 0.000 -0.117) 0.275 19.894 ( -5.428 0.000 0.221) 5.432 20.771 ( 7.579 0.000 0.419) 7.590 20.802 ( 7.203 0.000 0.269) 7.208 21.102 ( -1.431 0.000 -0.544) 1.531 21.195 ( -4.084 0.000 -0.141) 4.087 21.199 ( -1.213 0.000 0.305) 1.251 21.392 ( -3.907 0.000 2.580) 4.682 21.871 ( 3.047 0.000 -4.669) 5.575 22.432 ( -0.443 0.000 0.168) 0.474 22.723 ( 2.204 0.000 -1.281) 2.549 22.820 ( 2.140 0.000 1.327) 2.518 22.911 ( -2.331 0.000 1.382) 2.710 23.152 ( -2.508 0.000 -0.916) 2.670 ======================= Grid point 5 (6/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 -0.000) 0.000 2.716 ( -0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.672 ( -0.000 0.000 -0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.198 ( -0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.146 ( -0.000 0.000 -0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.535 ( -0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.214 ( 0.000 0.000 0.000) 0.000 12.350 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 0.000) 0.000 19.613 ( 0.000 0.000 0.000) 0.000 19.662 ( 0.000 0.000 0.000) 0.000 19.847 ( 0.000 0.000 0.000) 0.000 20.851 ( 0.000 0.000 0.000) 0.000 20.882 ( 0.000 0.000 0.000) 0.000 21.069 ( 0.000 0.000 0.000) 0.000 21.161 ( 0.000 0.000 0.000) 0.000 21.163 ( 0.000 0.000 0.000) 0.000 21.385 ( 0.000 0.000 0.000) 0.000 21.878 ( 0.000 0.000 0.000) 0.000 22.429 ( 0.000 0.000 0.000) 0.000 22.738 ( 0.000 0.000 0.000) 0.000 22.846 ( 0.000 0.000 0.000) 0.000 22.895 ( 0.000 0.000 0.000) 0.000 23.124 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 26.416 0.000) 26.416 0.602 ( 0.000 29.862 0.000) 29.862 1.169 ( 0.000 57.086 0.000) 57.086 1.953 ( 0.000 2.038 0.000) 2.038 2.135 ( 0.000 -3.429 0.000) 3.429 2.486 ( 0.000 24.322 0.000) 24.322 2.508 ( 0.000 0.716 0.000) 0.716 2.736 ( 0.000 -4.109 0.000) 4.109 2.846 ( 0.000 0.716 0.000) 0.716 3.073 ( 0.000 2.082 0.000) 2.082 3.091 ( 0.000 -2.950 0.000) 2.950 3.135 ( 0.000 -9.915 0.000) 9.915 3.262 ( 0.000 2.910 0.000) 2.910 3.369 ( 0.000 14.948 0.000) 14.948 3.381 ( 0.000 4.273 0.000) 4.273 3.636 ( 0.000 0.506 0.000) 0.506 3.730 ( 0.000 2.508 0.000) 2.508 3.744 ( 0.000 1.763 0.000) 1.763 3.803 ( 0.000 -7.519 0.000) 7.519 3.922 ( 0.000 2.740 0.000) 2.740 3.984 ( 0.000 4.187 0.000) 4.187 4.021 ( 0.000 8.332 0.000) 8.332 4.195 ( 0.000 1.111 0.000) 1.111 4.239 ( 0.000 15.810 0.000) 15.810 4.467 ( 0.000 8.586 0.000) 8.586 4.483 ( 0.000 3.887 0.000) 3.887 4.715 ( 0.000 -0.930 0.000) 0.930 4.735 ( 0.000 -0.404 0.000) 0.404 4.837 ( 0.000 -3.849 0.000) 3.849 5.056 ( 0.000 4.277 0.000) 4.277 5.192 ( 0.000 0.270 0.000) 0.270 5.330 ( 0.000 -4.997 0.000) 4.997 5.439 ( 0.000 -3.051 0.000) 3.051 5.495 ( 0.000 2.214 0.000) 2.214 5.596 ( 0.000 -6.477 0.000) 6.477 5.716 ( 0.000 -4.908 0.000) 4.908 5.791 ( 0.000 -4.297 0.000) 4.297 6.005 ( 0.000 -4.163 0.000) 4.163 6.076 ( 0.000 -0.947 0.000) 0.947 6.146 ( 0.000 -0.197 0.000) 0.197 6.167 ( 0.000 -2.253 0.000) 2.253 6.295 ( 0.000 -0.390 0.000) 0.390 6.515 ( 0.000 4.442 0.000) 4.442 6.757 ( 0.000 -4.607 0.000) 4.607 6.931 ( 0.000 -1.724 0.000) 1.724 7.143 ( 0.000 7.874 0.000) 7.874 7.197 ( 0.000 4.081 0.000) 4.081 7.393 ( 0.000 -13.726 0.000) 13.726 8.461 ( 0.000 -0.791 0.000) 0.791 8.476 ( 0.000 3.189 0.000) 3.189 9.022 ( 0.000 7.303 0.000) 7.303 9.146 ( 0.000 -0.938 0.000) 0.938 9.230 ( 0.000 -13.116 0.000) 13.116 9.719 ( 0.000 -3.799 0.000) 3.799 9.858 ( 0.000 -4.953 0.000) 4.953 9.864 ( 0.000 4.724 0.000) 4.724 10.041 ( 0.000 5.751 0.000) 5.751 10.307 ( 0.000 5.680 0.000) 5.680 10.598 ( 0.000 2.980 0.000) 2.980 10.692 ( 0.000 -0.876 0.000) 0.876 11.099 ( 0.000 -17.561 0.000) 17.561 11.307 ( 0.000 -15.490 0.000) 15.490 11.357 ( 0.000 -1.635 0.000) 1.635 11.434 ( 0.000 -2.723 0.000) 2.723 11.749 ( 0.000 13.002 0.000) 13.002 11.861 ( 0.000 3.210 0.000) 3.210 12.111 ( 0.000 -3.838 0.000) 3.838 12.465 ( 0.000 0.995 0.000) 0.995 19.182 ( 0.000 0.875 0.000) 0.875 19.467 ( 0.000 -4.917 0.000) 4.917 19.722 ( 0.000 6.802 0.000) 6.802 20.114 ( 0.000 -0.562 0.000) 0.562 20.373 ( 0.000 0.108 0.000) 0.108 20.429 ( 0.000 -0.217 0.000) 0.217 20.610 ( 0.000 -0.779 0.000) 0.779 21.167 ( 0.000 -9.479 0.000) 9.479 21.317 ( 0.000 2.860 0.000) 2.860 21.503 ( 0.000 3.105 0.000) 3.105 21.877 ( 0.000 -1.733 0.000) 1.733 21.971 ( 0.000 -2.215 0.000) 2.215 22.626 ( 0.000 3.275 0.000) 3.275 22.682 ( 0.000 2.513 0.000) 2.513 23.281 ( 0.000 9.983 0.000) 9.983 24.332 ( 0.000 -2.981 0.000) 2.981 ======================= Grid point 12 (8/104) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 14.850 19.964 13.355) 28.239 0.850 ( 20.515 19.428 8.165) 29.410 1.445 ( 24.401 44.399 9.816) 51.604 1.970 ( 6.671 2.505 -3.656) 8.009 2.263 ( 6.052 -1.032 7.145) 9.421 2.408 ( -0.412 13.065 -7.111) 14.881 2.556 ( -4.194 5.724 7.874) 10.599 2.742 ( -0.356 -0.001 6.194) 6.205 2.829 ( -2.155 -1.218 0.222) 2.486 2.992 ( -4.102 4.970 -5.620) 8.551 3.098 ( 0.983 -4.472 -1.441) 4.800 3.140 ( -1.467 -7.790 2.027) 8.182 3.216 ( -4.269 2.389 0.900) 4.974 3.354 ( 0.877 12.220 -2.539) 12.512 3.414 ( 2.280 8.728 -0.399) 9.030 3.571 ( -2.932 2.728 -7.201) 8.240 3.660 ( -4.515 -1.188 -0.376) 4.683 3.773 ( -6.274 0.674 -1.448) 6.474 3.779 ( -1.343 3.481 2.386) 4.429 3.880 ( -3.199 2.950 1.176) 4.507 3.996 ( -0.650 3.706 4.801) 6.100 4.115 ( 8.790 -0.158 0.337) 8.798 4.233 ( 0.331 13.504 -0.725) 13.528 4.280 ( 3.124 -1.746 -2.617) 4.433 4.378 ( -4.652 1.754 -1.381) 5.160 4.556 ( 7.527 0.169 -4.141) 8.593 4.682 ( 1.241 0.990 -9.681) 9.811 4.808 ( 7.093 1.080 -0.508) 7.192 4.853 ( -0.488 -3.216 1.045) 3.416 5.013 ( -1.893 2.059 -2.583) 3.807 5.168 ( -2.562 1.506 -5.657) 6.390 5.234 ( -2.985 -3.550 -1.113) 4.770 5.414 ( -1.735 -2.194 2.576) 3.803 5.520 ( -0.624 -2.602 -2.105) 3.404 5.662 ( 0.498 -9.170 8.876) 12.772 5.750 ( 1.354 -5.303 3.554) 6.526 5.802 ( 0.587 -3.560 1.453) 3.890 5.955 ( -5.095 0.843 -0.149) 5.166 6.038 ( 0.491 -2.698 2.200) 3.516 6.147 ( 2.168 2.693 2.167) 4.080 6.184 ( -3.170 0.627 -3.602) 4.839 6.359 ( 6.073 -2.531 1.068) 6.665 6.523 ( 1.980 4.938 1.877) 5.642 6.776 ( 2.681 -4.996 -1.437) 5.849 6.962 ( 4.320 -1.543 -1.911) 4.969 7.144 ( 0.707 7.120 -2.575) 7.605 7.205 ( 1.063 4.051 -1.049) 4.317 7.215 ( -13.960 -1.298 0.414) 14.026 8.391 ( -5.941 0.451 4.663) 7.566 8.597 ( 8.199 -0.012 -0.642) 8.224 8.923 ( -8.336 7.435 -3.627) 11.745 9.038 ( -3.192 -2.659 -5.177) 6.638 9.303 ( 3.038 -10.072 0.473) 10.531 9.667 ( -11.884 -1.322 3.661) 12.505 9.785 ( -3.066 8.711 -0.136) 9.236 9.962 ( 5.009 -6.864 2.210) 8.780 10.082 ( 6.712 4.804 -3.373) 8.917 10.321 ( 4.679 6.932 -4.270) 9.391 10.516 ( -2.454 1.314 -0.208) 2.791 10.706 ( 0.132 -5.366 2.823) 6.065 11.116 ( 2.510 -14.230 -2.445) 14.655 11.286 ( -1.371 -14.288 1.462) 14.428 11.395 ( 3.759 -1.699 -0.521) 4.157 11.481 ( 5.292 -2.018 -1.229) 5.795 11.766 ( 2.380 10.611 0.353) 10.881 11.939 ( 2.606 0.506 1.777) 3.195 12.081 ( -2.946 -3.592 -0.345) 4.658 12.435 ( -3.062 0.897 3.566) 4.785 19.186 ( 0.352 0.882 0.239) 0.979 19.477 ( 1.522 -4.914 -1.102) 5.261 19.721 ( -0.022 6.283 -0.078) 6.283 20.140 ( 0.653 -1.325 2.969) 3.317 20.445 ( 1.360 -1.124 0.067) 1.766 20.545 ( -0.950 0.197 -1.683) 1.942 20.646 ( 12.721 -10.399 5.925) 17.466 21.183 ( 5.107 -1.116 -7.925) 9.494 21.351 ( -1.525 -3.454 4.127) 5.593 21.624 ( 5.566 -4.468 4.894) 8.654 21.845 ( -1.779 -2.042 -2.182) 3.478 22.044 ( 6.221 -9.517 5.019) 12.429 22.642 ( 1.630 3.220 0.598) 3.659 22.689 ( 1.146 2.644 -0.562) 2.936 23.248 ( -3.457 10.733 -0.707) 11.298 23.905 ( -24.767 21.308 -10.890) 34.439 ======================= Grid point 13 (9/104) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 18.861 13.439 8.548) 24.686 1.278 ( 18.635 17.365 11.448) 27.926 1.998 ( 24.283 23.685 9.881) 35.332 2.113 ( 8.177 4.923 4.144) 10.405 2.303 ( -6.216 5.658 -5.216) 9.892 2.388 ( 4.538 6.425 -0.944) 7.922 2.545 ( -2.528 4.951 7.146) 9.054 2.757 ( -4.527 -5.345 -2.482) 7.431 2.825 ( 0.055 2.614 9.426) 9.782 2.893 ( -4.231 4.051 -0.622) 5.890 3.040 ( -7.038 -6.160 0.438) 9.364 3.089 ( -0.267 -3.465 -5.012) 6.099 3.229 ( 0.116 4.214 5.982) 7.318 3.307 ( -5.841 3.678 -4.037) 7.996 3.391 ( -4.505 12.302 -1.052) 13.143 3.451 ( -1.304 5.778 -7.701) 9.715 3.590 ( -3.953 8.411 0.410) 9.302 3.658 ( -1.260 -1.881 -1.150) 2.539 3.794 ( 1.266 3.190 1.028) 3.583 3.856 ( -2.828 3.483 3.018) 5.407 3.986 ( -3.078 4.592 1.561) 5.744 4.106 ( -5.703 7.031 -7.304) 11.632 4.220 ( 0.961 9.466 -1.471) 9.627 4.330 ( 3.409 -1.659 -3.007) 4.839 4.411 ( 7.053 -7.602 1.050) 10.423 4.562 ( -1.230 -1.606 -7.072) 7.355 4.627 ( 0.519 -0.309 -7.817) 7.841 4.791 ( -2.537 -0.881 -1.872) 3.273 4.872 ( 0.522 -0.628 -1.756) 1.937 5.050 ( 5.310 -0.925 0.622) 5.426 5.085 ( 2.434 3.178 -5.403) 6.724 5.259 ( 5.947 0.524 0.150) 5.972 5.424 ( 1.458 -0.812 -0.407) 1.718 5.494 ( 1.084 -6.812 -0.437) 6.911 5.703 ( -2.602 -5.289 4.568) 7.457 5.772 ( -0.778 -9.464 5.280) 10.865 5.861 ( 0.999 -1.374 4.430) 4.745 5.940 ( 1.220 1.601 0.625) 2.108 6.079 ( 0.071 -0.482 2.845) 2.887 6.083 ( -0.060 -2.707 -0.155) 2.712 6.284 ( 5.221 3.039 3.794) 7.134 6.351 ( -4.586 1.379 0.329) 4.800 6.623 ( 4.097 1.117 1.913) 4.658 6.805 ( 2.184 -4.086 -2.959) 5.497 6.922 ( -14.139 0.464 -3.246) 14.514 7.047 ( 5.336 -1.240 -0.702) 5.523 7.171 ( 2.158 5.131 -0.809) 5.625 7.230 ( 2.308 4.690 -0.913) 5.306 8.345 ( -4.753 0.248 5.348) 7.159 8.673 ( -5.636 3.765 -0.551) 6.800 8.747 ( -1.485 3.515 -3.203) 4.982 8.959 ( -0.821 0.621 -6.321) 6.404 9.326 ( -1.381 -8.834 1.624) 9.088 9.453 ( -12.127 0.505 -0.265) 12.140 9.764 ( -2.405 8.406 4.723) 9.937 10.001 ( 3.595 1.577 -5.311) 6.604 10.201 ( 7.335 2.044 -2.454) 8.001 10.395 ( 6.609 -0.554 -1.134) 6.728 10.546 ( 1.393 -3.166 6.462) 7.330 10.738 ( 2.776 -12.246 -1.768) 12.681 11.112 ( -0.565 -10.977 -1.300) 11.068 11.314 ( 0.734 -9.634 4.555) 10.682 11.462 ( 3.938 -1.280 -0.088) 4.142 11.574 ( 6.357 -1.995 -2.284) 7.043 11.828 ( 3.269 5.307 2.157) 6.596 11.932 ( -1.278 2.823 -5.425) 6.248 12.038 ( -1.876 -2.006 2.612) 3.790 12.438 ( -0.785 -0.553 3.705) 3.827 19.198 ( 0.623 0.918 0.557) 1.241 19.498 ( 1.704 -4.741 -0.696) 5.086 19.720 ( -0.095 5.217 0.057) 5.218 20.124 ( -6.710 -2.482 3.327) 7.890 20.485 ( 5.708 -0.361 -0.802) 5.775 20.570 ( 5.477 1.776 -1.532) 5.958 20.869 ( 8.061 -8.219 4.322) 12.296 21.205 ( 4.138 2.350 -4.987) 6.894 21.331 ( -3.531 -1.518 2.086) 4.373 21.626 ( -6.736 -1.960 1.122) 7.105 21.816 ( 2.700 -3.131 -6.205) 7.456 22.214 ( 5.884 -14.428 5.665) 16.579 22.694 ( 3.314 2.847 1.402) 4.589 22.711 ( 2.188 3.092 -1.068) 3.936 23.159 ( -5.647 11.692 -0.872) 13.014 23.529 ( -12.630 17.449 -4.350) 21.975 ======================= Grid point 14 (10/104) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 15.234 9.266 4.085) 18.293 1.672 ( 15.758 17.322 9.627) 25.319 2.030 ( -18.205 3.859 2.284) 18.749 2.275 ( 9.497 3.325 -5.654) 11.542 2.374 ( 9.958 14.644 -0.930) 17.734 2.457 ( 1.584 2.978 1.002) 3.519 2.539 ( -1.993 4.978 2.545) 5.936 2.696 ( -2.001 1.409 3.765) 4.490 2.760 ( -9.626 1.657 -0.429) 9.777 2.889 ( -3.000 3.510 7.176) 8.534 2.966 ( -2.321 -0.879 1.243) 2.776 3.040 ( -2.659 -5.609 0.286) 6.214 3.133 ( -6.793 -0.721 -2.095) 7.145 3.211 ( -4.421 8.921 -2.364) 10.233 3.343 ( -0.009 4.640 3.112) 5.587 3.432 ( -0.593 14.164 -0.649) 14.191 3.531 ( -0.739 7.052 -1.950) 7.353 3.645 ( -1.232 -1.139 -2.060) 2.657 3.815 ( -4.019 3.781 0.095) 5.519 3.842 ( 3.597 5.642 1.701) 6.904 3.932 ( -1.224 5.152 -2.674) 5.932 4.012 ( -0.402 0.818 -1.854) 2.066 4.203 ( 1.167 4.583 -7.518) 8.882 4.307 ( -8.642 3.407 -3.487) 9.922 4.395 ( 4.230 0.801 -1.433) 4.537 4.507 ( 0.759 1.514 -3.841) 4.198 4.655 ( 3.152 -2.935 -1.416) 4.534 4.790 ( -1.427 -1.473 4.712) 5.139 4.837 ( 1.727 -8.513 -3.404) 9.330 5.119 ( 2.843 1.651 -0.941) 3.420 5.144 ( 8.746 2.339 -6.125) 10.931 5.404 ( 6.348 -2.892 -1.503) 7.136 5.497 ( 8.089 -6.034 0.886) 10.130 5.573 ( 7.886 -0.063 2.174) 8.181 5.697 ( -1.741 -4.665 3.660) 6.179 5.815 ( 0.727 -5.877 4.016) 7.155 5.884 ( -1.553 -1.946 3.559) 4.343 5.964 ( 0.804 0.630 0.090) 1.026 6.091 ( -1.282 -0.623 3.030) 3.348 6.121 ( 2.099 -5.157 -1.297) 5.717 6.273 ( -3.269 1.879 -0.957) 3.890 6.388 ( 2.778 5.827 4.371) 7.796 6.644 ( -2.613 -0.442 0.767) 2.759 6.670 ( -11.617 1.303 2.461) 11.946 6.807 ( 1.111 -2.632 -4.472) 5.307 7.136 ( 3.899 -2.397 0.050) 4.577 7.208 ( 2.952 3.382 -1.706) 4.803 7.270 ( 3.676 4.813 -1.070) 6.150 8.299 ( -5.005 -0.062 1.740) 5.299 8.490 ( -10.741 8.566 2.445) 13.955 8.748 ( 0.531 -0.060 -3.256) 3.300 8.882 ( -2.166 4.482 -6.472) 8.165 9.280 ( -3.202 -1.718 -1.299) 3.859 9.307 ( -6.408 -7.662 3.349) 10.535 9.767 ( -1.819 9.069 3.727) 9.972 10.025 ( 4.296 4.560 -4.782) 7.882 10.293 ( 5.370 -3.689 0.351) 6.524 10.514 ( 6.922 -1.947 0.633) 7.218 10.625 ( 1.444 -5.158 3.224) 6.252 10.776 ( 5.238 -11.577 -3.793) 13.261 11.107 ( 0.520 -11.256 1.118) 11.323 11.348 ( -2.124 -5.657 4.549) 7.564 11.505 ( 1.248 -1.078 -1.837) 2.469 11.627 ( 0.540 -2.613 0.401) 2.698 11.828 ( -2.504 2.995 -5.637) 6.857 11.921 ( 3.509 -1.619 2.573) 4.643 12.079 ( 4.467 2.038 1.202) 5.055 12.455 ( -0.680 0.367 2.376) 2.499 19.215 ( 0.725 0.938 0.670) 1.362 19.520 ( 1.472 -4.580 -0.500) 4.837 19.719 ( -0.049 4.143 -0.121) 4.145 20.003 ( -8.295 -1.424 1.222) 8.504 20.624 ( 9.468 0.269 0.399) 9.480 20.671 ( 7.070 0.208 -0.822) 7.121 21.006 ( 4.397 -4.828 2.303) 6.924 21.239 ( 2.360 1.460 -1.767) 3.290 21.274 ( -4.233 1.901 1.541) 4.889 21.488 ( -8.632 -1.032 0.543) 8.710 21.815 ( 3.446 -3.964 -6.567) 8.409 22.321 ( 2.588 -10.085 2.859) 10.797 22.745 ( 3.068 4.175 -1.479) 5.388 22.775 ( 4.191 2.638 1.983) 5.334 23.056 ( -5.521 9.813 -0.165) 11.261 23.337 ( -7.731 9.852 -1.842) 12.658 ======================= Grid point 15 (11/104) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -6.606 3.564 -0.474) 7.521 1.785 ( 1.414 9.009 -0.105) 9.119 1.915 ( 3.822 16.494 1.105) 16.967 2.236 ( -5.676 0.827 -5.329) 7.830 2.441 ( 6.116 7.651 -4.581) 10.813 2.460 ( 0.027 3.960 0.733) 4.027 2.624 ( -2.799 6.613 -0.434) 7.194 2.646 ( 8.279 5.421 3.367) 10.453 2.757 ( -0.457 2.303 10.319) 10.583 2.861 ( -5.219 6.483 4.740) 9.578 2.947 ( -2.879 -1.590 1.014) 3.442 2.969 ( -6.747 0.867 3.018) 7.442 3.044 ( -1.358 1.459 -3.638) 4.149 3.162 ( -0.560 0.022 0.874) 1.038 3.344 ( -3.845 15.620 -0.911) 16.112 3.398 ( 0.318 1.625 2.732) 3.195 3.520 ( -0.912 1.903 -5.663) 6.043 3.606 ( 1.841 3.698 -1.676) 4.458 3.763 ( -1.420 5.773 -1.179) 6.061 3.836 ( -8.133 3.491 -1.292) 8.944 3.919 ( 2.977 6.921 -0.817) 7.578 4.022 ( 0.876 0.090 1.664) 1.882 4.120 ( -0.497 -2.193 -5.009) 5.490 4.254 ( 2.282 1.969 0.678) 3.089 4.435 ( -0.094 -1.915 -1.564) 2.475 4.522 ( 4.529 6.608 -5.079) 9.485 4.672 ( 0.041 1.160 1.249) 1.705 4.757 ( -2.475 -1.606 2.674) 3.982 4.948 ( 8.392 -7.149 1.736) 11.160 5.140 ( 1.006 2.086 -0.692) 2.418 5.241 ( 6.157 1.835 -3.160) 7.160 5.459 ( 2.936 -6.670 -2.055) 7.571 5.582 ( 0.466 -4.683 0.812) 4.776 5.694 ( -2.124 -0.478 0.928) 2.367 5.761 ( 8.619 -6.094 -0.411) 10.563 5.841 ( 0.330 -1.144 -0.067) 1.192 5.894 ( -0.825 -0.989 -0.025) 1.289 5.948 ( -0.429 0.701 -1.408) 1.630 6.080 ( 0.317 -3.590 1.993) 4.118 6.161 ( 0.587 -0.669 4.338) 4.428 6.223 ( -0.799 0.879 -0.332) 1.233 6.466 ( 0.683 -1.245 2.526) 2.898 6.562 ( -2.662 2.084 1.779) 3.820 6.619 ( -2.681 3.086 5.401) 6.774 6.781 ( 1.234 0.082 -5.340) 5.482 7.153 ( -1.371 -4.062 0.188) 4.291 7.223 ( 0.697 2.860 -2.659) 3.967 7.346 ( 4.506 3.741 0.767) 5.906 8.211 ( -4.006 1.665 -1.368) 4.549 8.377 ( -6.454 6.328 4.264) 9.994 8.717 ( -0.611 2.808 -2.454) 3.779 8.786 ( -2.225 4.703 -5.101) 7.286 9.234 ( -4.812 -8.325 2.718) 9.992 9.249 ( -0.022 -1.499 -0.961) 1.780 9.764 ( -1.068 10.395 1.418) 10.545 10.060 ( 2.873 4.132 -2.025) 5.425 10.397 ( 4.577 -7.973 3.000) 9.671 10.596 ( 0.792 -11.252 -2.524) 11.559 10.667 ( 4.373 1.630 0.948) 4.762 10.857 ( 5.225 -6.155 -0.312) 8.080 11.143 ( 1.921 -8.999 1.269) 9.289 11.311 ( -4.467 -7.190 1.023) 8.526 11.466 ( -2.845 -3.019 -2.055) 4.629 11.616 ( -2.411 -0.298 1.771) 3.006 11.762 ( -0.092 3.622 -3.551) 5.073 12.001 ( 2.851 -7.061 2.045) 7.885 12.181 ( 5.469 3.007 0.431) 6.256 12.450 ( -1.486 2.615 0.988) 3.166 19.232 ( 0.512 0.913 0.468) 1.147 19.537 ( 0.862 -4.511 -0.332) 4.604 19.717 ( 0.116 3.421 -0.260) 3.433 19.891 ( -5.002 -0.305 0.363) 5.024 20.768 ( 6.479 -0.518 -1.100) 6.592 20.809 ( 8.605 0.419 1.981) 8.840 21.055 ( 0.488 -2.496 -0.830) 2.675 21.188 ( -4.213 -0.352 0.036) 4.228 21.234 ( -4.901 1.343 -0.152) 5.084 21.410 ( -0.886 2.454 2.500) 3.614 21.818 ( 2.329 -5.114 -4.415) 7.146 22.365 ( 0.893 -6.711 1.108) 6.861 22.788 ( 3.160 5.635 -1.324) 6.595 22.862 ( 3.698 4.016 1.693) 5.716 22.972 ( -4.215 6.494 0.339) 7.749 23.214 ( -5.176 5.278 -1.039) 7.465 ======================= Grid point 16 (12/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 4.812 0.000) 4.812 1.869 ( 0.000 15.276 0.000) 15.276 1.871 ( -0.000 6.664 -0.000) 6.664 2.158 ( -0.000 -0.372 0.000) 0.372 2.447 ( -0.000 6.945 0.000) 6.945 2.542 ( 0.000 7.020 -0.000) 7.020 2.606 ( 0.000 13.062 -0.000) 13.062 2.762 ( 0.000 6.915 0.000) 6.915 2.806 ( 0.000 -0.468 -0.000) 0.468 2.811 ( 0.000 6.518 0.000) 6.518 2.891 ( 0.000 -3.956 0.000) 3.956 2.928 ( 0.000 0.624 -0.000) 0.624 3.028 ( -0.000 3.333 0.000) 3.333 3.166 ( 0.000 -1.440 -0.000) 1.440 3.299 ( -0.000 17.758 0.000) 17.758 3.428 ( 0.000 -5.152 -0.000) 5.152 3.446 ( 0.000 4.632 0.000) 4.632 3.676 ( -0.000 5.349 -0.000) 5.349 3.690 ( 0.000 0.634 0.000) 0.634 3.752 ( 0.000 6.459 0.000) 6.459 3.945 ( 0.000 5.869 -0.000) 5.869 4.006 ( 0.000 2.655 0.000) 2.655 4.138 ( 0.000 -3.181 0.000) 3.181 4.297 ( 0.000 -0.243 0.000) 0.243 4.400 ( 0.000 -4.568 0.000) 4.568 4.538 ( 0.000 7.064 0.000) 7.064 4.679 ( 0.000 1.897 -0.000) 1.897 4.753 ( 0.000 0.067 0.000) 0.067 5.070 ( 0.000 -6.339 0.000) 6.339 5.139 ( 0.000 1.673 -0.000) 1.673 5.282 ( 0.000 1.624 0.000) 1.624 5.475 ( 0.000 -7.599 0.000) 7.599 5.563 ( 0.000 -2.297 0.000) 2.297 5.656 ( 0.000 -0.237 0.000) 0.237 5.827 ( -0.000 4.217 -0.000) 4.217 5.841 ( 0.000 -5.043 0.000) 5.043 5.866 ( 0.000 -0.490 0.000) 0.490 5.975 ( 0.000 -4.896 0.000) 4.896 6.100 ( 0.000 -5.130 0.000) 5.130 6.179 ( 0.000 5.118 0.000) 5.118 6.237 ( 0.000 -5.670 0.000) 5.670 6.444 ( 0.000 -2.279 0.000) 2.279 6.597 ( 0.000 1.498 0.000) 1.498 6.611 ( -0.000 5.605 0.000) 5.605 6.771 ( 0.000 1.324 0.000) 1.324 7.133 ( 0.000 -4.649 0.000) 4.649 7.209 ( 0.000 3.103 0.000) 3.103 7.395 ( 0.000 2.494 0.000) 2.494 8.169 ( 0.000 2.262 0.000) 2.262 8.337 ( 0.000 5.148 0.000) 5.148 8.699 ( 0.000 5.358 0.000) 5.358 8.743 ( 0.000 3.510 0.000) 3.510 9.201 ( 0.000 -8.681 -0.000) 8.681 9.248 ( 0.000 -1.069 0.000) 1.069 9.760 ( 0.000 10.813 0.000) 10.813 10.077 ( 0.000 3.732 -0.000) 3.732 10.467 ( 0.000 -9.956 0.000) 9.956 10.566 ( 0.000 -11.515 -0.000) 11.515 10.727 ( 0.000 1.842 0.000) 1.842 10.908 ( 0.000 -4.066 -0.000) 4.066 11.172 ( 0.000 -2.349 0.000) 2.349 11.261 ( -0.000 -13.317 0.000) 13.317 11.423 ( 0.000 -4.454 0.000) 4.454 11.598 ( 0.000 1.209 0.000) 1.209 11.750 ( 0.000 3.463 0.000) 3.463 12.037 ( 0.000 -8.815 -0.000) 8.815 12.238 ( 0.000 2.346 0.000) 2.346 12.436 ( 0.000 4.320 0.000) 4.320 19.238 ( 0.000 0.892 0.000) 0.892 19.543 ( 0.000 -4.514 0.000) 4.514 19.718 ( 0.000 3.200 0.000) 3.200 19.848 ( 0.000 0.097 0.000) 0.097 20.824 ( 0.000 -1.676 0.000) 1.676 20.938 ( 0.000 4.604 0.000) 4.604 21.015 ( 0.000 -4.594 0.000) 4.594 21.150 ( 0.000 -0.818 0.000) 0.818 21.170 ( 0.000 0.244 0.000) 0.244 21.427 ( 0.000 4.179 0.000) 4.179 21.818 ( 0.000 -5.748 0.000) 5.748 22.377 ( 0.000 -5.639 0.000) 5.639 22.815 ( 0.000 7.178 -0.000) 7.178 22.912 ( -0.000 5.974 -0.000) 5.974 22.928 ( 0.000 3.741 0.000) 3.741 23.159 ( 0.000 2.985 0.000) 2.985 ======================= Grid point 22 (13/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 26.093 0.000) 26.093 1.178 ( 0.000 28.127 0.000) 28.127 2.008 ( 0.000 3.127 0.000) 3.127 2.051 ( 0.000 -4.266 0.000) 4.266 2.219 ( 0.000 45.361 0.000) 45.361 2.501 ( 0.000 -7.345 0.000) 7.345 2.521 ( 0.000 -12.570 0.000) 12.570 2.806 ( 0.000 -5.850 0.000) 5.850 2.939 ( 0.000 1.474 0.000) 1.474 2.998 ( 0.000 19.312 0.000) 19.312 3.058 ( 0.000 -2.804 0.000) 2.804 3.204 ( 0.000 6.389 0.000) 6.389 3.255 ( 0.000 2.992 0.000) 2.992 3.444 ( 0.000 -3.651 0.000) 3.651 3.568 ( 0.000 3.377 0.000) 3.377 3.674 ( 0.000 -2.978 0.000) 2.978 3.740 ( 0.000 9.337 0.000) 9.337 3.793 ( 0.000 2.911 0.000) 2.911 3.852 ( 0.000 8.211 0.000) 8.211 3.966 ( 0.000 4.309 0.000) 4.309 4.169 ( 0.000 -1.805 0.000) 1.805 4.228 ( 0.000 14.173 0.000) 14.173 4.267 ( 0.000 12.434 0.000) 12.434 4.527 ( 0.000 8.631 0.000) 8.631 4.532 ( 0.000 0.395 0.000) 0.395 4.642 ( 0.000 7.817 0.000) 7.817 4.661 ( 0.000 -0.832 0.000) 0.832 4.845 ( 0.000 9.948 0.000) 9.948 4.850 ( 0.000 9.644 0.000) 9.644 5.139 ( 0.000 3.866 0.000) 3.866 5.191 ( 0.000 -0.165 0.000) 0.165 5.257 ( 0.000 -13.512 0.000) 13.512 5.262 ( 0.000 -0.541 0.000) 0.541 5.488 ( 0.000 -2.149 0.000) 2.149 5.552 ( 0.000 3.364 0.000) 3.364 5.608 ( 0.000 -6.029 0.000) 6.029 5.725 ( 0.000 -2.579 0.000) 2.579 5.884 ( 0.000 -7.424 0.000) 7.424 6.026 ( 0.000 -3.675 0.000) 3.675 6.103 ( 0.000 -3.967 0.000) 3.967 6.166 ( 0.000 2.262 0.000) 2.262 6.217 ( 0.000 -7.080 0.000) 7.080 6.619 ( 0.000 -3.554 0.000) 3.554 6.652 ( 0.000 2.099 0.000) 2.099 6.892 ( 0.000 -2.253 0.000) 2.253 6.992 ( 0.000 -26.096 0.000) 26.096 7.293 ( 0.000 5.200 0.000) 5.200 7.306 ( 0.000 7.454 0.000) 7.454 8.471 ( 0.000 2.091 0.000) 2.091 8.564 ( 0.000 5.185 0.000) 5.185 8.975 ( 0.000 -11.323 0.000) 11.323 9.048 ( 0.000 -4.102 0.000) 4.102 9.259 ( 0.000 10.683 0.000) 10.683 9.585 ( 0.000 -6.954 0.000) 6.954 9.777 ( 0.000 -1.955 0.000) 1.955 9.983 ( 0.000 5.655 0.000) 5.655 10.184 ( 0.000 7.689 0.000) 7.689 10.378 ( 0.000 -0.497 0.000) 0.497 10.565 ( 0.000 -10.861 0.000) 10.861 10.701 ( 0.000 2.676 0.000) 2.676 10.847 ( 0.000 -2.762 0.000) 2.762 10.971 ( 0.000 -16.535 0.000) 16.535 11.309 ( 0.000 -3.208 0.000) 3.208 11.361 ( 0.000 -4.473 0.000) 4.473 11.902 ( 0.000 1.080 0.000) 1.080 11.957 ( 0.000 4.213 0.000) 4.213 12.056 ( 0.000 2.722 0.000) 2.722 12.459 ( 0.000 -2.079 0.000) 2.079 19.208 ( 0.000 1.688 0.000) 1.688 19.378 ( 0.000 -4.089 0.000) 4.089 19.860 ( 0.000 6.824 0.000) 6.824 20.096 ( 0.000 -1.311 0.000) 1.311 20.379 ( 0.000 0.512 0.000) 0.512 20.422 ( 0.000 -0.445 0.000) 0.445 20.604 ( 0.000 0.599 0.000) 0.599 20.965 ( 0.000 -10.375 0.000) 10.375 21.385 ( 0.000 3.710 0.000) 3.710 21.535 ( 0.000 0.058 0.000) 0.058 21.844 ( 0.000 -1.285 0.000) 1.285 21.917 ( 0.000 -3.009 0.000) 3.009 22.704 ( 0.000 4.044 0.000) 4.044 22.740 ( 0.000 2.893 0.000) 2.893 23.536 ( 0.000 14.636 0.000) 14.636 24.239 ( 0.000 -6.468 0.000) 6.468 ======================= Grid point 23 (14/104) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 9.668 21.277 12.737) 26.616 1.296 ( 12.427 24.434 0.653) 27.420 2.033 ( 6.580 3.901 -0.579) 7.671 2.204 ( 7.049 -3.846 9.275) 12.268 2.364 ( 12.689 38.296 4.651) 40.611 2.462 ( -3.803 -2.928 0.401) 4.816 2.539 ( 1.773 -9.506 0.607) 9.689 2.783 ( -1.624 -5.922 -1.808) 6.402 2.880 ( -2.100 5.635 -5.018) 7.832 3.021 ( -2.283 8.514 3.586) 9.516 3.057 ( 1.140 -2.584 -3.740) 4.686 3.160 ( -1.261 8.165 -5.631) 9.999 3.249 ( -3.559 5.480 8.147) 10.444 3.458 ( 1.436 -3.038 0.444) 3.390 3.574 ( -0.817 5.824 -0.501) 5.902 3.640 ( -4.005 -1.245 -2.545) 4.906 3.706 ( -1.054 7.620 -6.229) 9.898 3.792 ( 3.028 4.195 3.859) 6.454 3.876 ( -1.842 3.226 1.676) 4.076 3.950 ( 3.080 1.644 -3.729) 5.108 4.098 ( -6.529 10.599 0.735) 12.470 4.204 ( 0.111 2.915 1.252) 3.175 4.354 ( 0.119 7.112 -0.041) 7.113 4.415 ( -5.894 7.951 -3.062) 10.360 4.523 ( -2.589 9.255 0.134) 9.612 4.625 ( 5.299 3.373 -1.749) 6.520 4.765 ( 0.404 9.842 -10.163) 14.153 4.821 ( 7.782 0.225 3.227) 8.428 4.868 ( -2.025 7.537 2.228) 8.116 5.033 ( -7.700 -1.373 -6.817) 10.376 5.170 ( -1.568 -0.048 -1.037) 1.881 5.235 ( 2.877 3.673 -1.145) 4.804 5.337 ( -0.133 -7.502 5.557) 9.337 5.439 ( -2.308 -4.948 -1.300) 5.613 5.485 ( -3.668 -3.433 1.083) 5.139 5.637 ( -0.074 -5.528 2.236) 5.964 5.783 ( 4.113 1.076 1.600) 4.542 5.936 ( 3.311 -6.000 2.835) 7.416 5.961 ( -2.795 -1.789 -1.785) 3.768 6.103 ( -5.465 -7.847 -3.742) 10.269 6.180 ( 4.601 0.934 2.868) 5.501 6.297 ( 6.784 -3.118 1.442) 7.604 6.641 ( 2.262 -1.293 -0.115) 2.608 6.657 ( -0.491 0.123 3.267) 3.306 6.917 ( 3.070 -4.547 -2.076) 5.866 6.958 ( -4.312 -19.990 0.671) 20.461 7.284 ( 0.445 5.671 -2.680) 6.288 7.314 ( 0.181 5.995 1.260) 6.128 8.432 ( -3.340 3.740 1.094) 5.132 8.630 ( 5.064 2.745 0.797) 5.815 8.946 ( -0.996 -6.433 -1.724) 6.734 9.005 ( -2.908 -2.031 -4.322) 5.592 9.246 ( -2.086 7.474 1.687) 7.941 9.623 ( -4.466 -3.574 5.124) 7.679 9.772 ( 4.096 -4.693 -0.080) 6.229 10.018 ( -0.363 7.211 2.804) 7.746 10.140 ( -2.605 4.937 0.098) 5.582 10.384 ( 0.850 -3.835 -2.272) 4.538 10.464 ( -0.520 -11.948 -4.117) 12.648 10.679 ( -5.605 8.259 -3.476) 10.570 10.871 ( 0.566 -13.049 -3.844) 13.615 11.010 ( 5.186 -8.292 6.713) 11.862 11.351 ( 4.666 -2.971 -0.917) 5.607 11.412 ( 5.618 -4.550 -1.192) 7.327 11.908 ( -0.924 1.481 1.791) 2.501 11.965 ( 0.772 -0.158 -0.726) 1.072 12.050 ( -0.273 5.199 0.641) 5.246 12.434 ( -2.202 -1.635 0.265) 2.756 19.212 ( 0.426 1.727 0.178) 1.787 19.386 ( 1.118 -4.179 -0.378) 4.342 19.848 ( -1.690 6.216 0.909) 6.505 20.102 ( -1.205 -2.456 2.294) 3.570 20.429 ( 0.927 -0.338 0.328) 1.040 20.489 ( 7.167 -3.079 3.541) 8.566 20.611 ( 4.210 2.659 -0.978) 5.074 21.033 ( 7.865 -9.975 -3.328) 13.131 21.385 ( -0.642 3.845 1.217) 4.083 21.575 ( 2.158 -1.982 2.611) 3.925 21.811 ( -2.684 -1.101 -1.296) 3.178 21.925 ( 1.204 -4.484 0.533) 4.674 22.720 ( 1.665 4.029 0.356) 4.374 22.750 ( 1.416 3.055 -0.354) 3.385 23.503 ( -3.777 14.187 -0.073) 14.681 24.074 ( -13.760 0.043 -5.504) 14.820 ======================= Grid point 24 (15/104) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 12.225 17.819 10.928) 24.216 1.580 ( 16.070 14.895 7.502) 23.160 2.177 ( 5.187 4.818 5.153) 8.756 2.344 ( -1.530 -0.747 -0.566) 1.794 2.405 ( 2.003 -4.992 5.691) 7.830 2.551 ( -1.338 -2.758 -2.310) 3.838 2.637 ( 4.391 18.189 3.528) 19.041 2.768 ( 5.500 0.251 -0.829) 5.568 2.818 ( 2.260 9.094 -2.487) 9.695 2.920 ( -8.330 -0.401 -1.298) 8.440 3.030 ( -0.676 -3.007 -3.063) 4.345 3.134 ( -0.188 15.870 0.950) 15.900 3.289 ( -0.449 2.712 6.241) 6.819 3.395 ( -8.971 6.319 -3.602) 11.549 3.529 ( -3.866 -1.694 -3.836) 5.704 3.541 ( 0.691 2.219 -3.160) 3.922 3.694 ( -0.026 8.757 -0.445) 8.769 3.806 ( -3.544 6.364 -1.529) 7.443 3.876 ( 3.581 2.842 0.918) 4.663 3.973 ( -0.165 7.251 3.106) 7.890 4.139 ( 3.039 4.636 4.039) 6.859 4.154 ( -1.412 -2.878 1.703) 3.630 4.277 ( -7.503 9.263 -2.966) 12.284 4.334 ( 3.045 5.259 -3.015) 6.784 4.488 ( -2.308 7.610 -2.113) 8.228 4.657 ( 1.793 10.699 -10.170) 14.870 4.676 ( -7.014 2.887 -6.072) 9.716 4.771 ( -0.606 2.900 -1.419) 3.285 4.896 ( -3.965 3.372 0.923) 5.286 5.014 ( 8.707 -2.467 1.629) 9.195 5.157 ( 2.483 3.710 -3.895) 5.924 5.248 ( 1.312 -0.256 -0.802) 1.559 5.382 ( 0.419 -4.265 -2.494) 4.959 5.411 ( 4.173 -3.821 4.681) 7.343 5.544 ( 3.271 -5.176 5.643) 8.326 5.641 ( -0.234 -4.542 1.655) 4.840 5.856 ( 2.280 1.188 -0.655) 2.653 5.919 ( -1.450 -4.458 -0.948) 4.783 5.948 ( -2.090 -9.738 -2.716) 10.323 6.032 ( 1.234 -3.371 3.248) 4.841 6.309 ( 1.768 -2.936 3.004) 4.557 6.367 ( 3.426 0.669 0.725) 3.566 6.672 ( 0.394 3.014 1.095) 3.231 6.703 ( 2.013 -4.899 2.221) 5.743 6.806 ( -9.462 -12.213 -1.202) 15.496 6.999 ( 4.541 -3.746 0.373) 5.898 7.274 ( 1.407 4.918 -2.650) 5.761 7.334 ( 1.480 4.825 -0.054) 5.047 8.393 ( -2.674 4.655 1.364) 5.539 8.713 ( 3.642 1.261 0.275) 3.864 8.860 ( -9.714 3.616 -0.444) 10.375 8.954 ( 2.727 -0.347 -3.558) 4.496 9.222 ( -2.425 1.023 1.552) 3.056 9.482 ( -10.992 2.123 -1.928) 11.360 9.893 ( 6.521 -6.358 1.325) 9.204 9.961 ( -7.218 8.917 7.633) 13.779 10.212 ( 7.443 -6.174 0.912) 9.713 10.384 ( 3.787 -10.030 -5.276) 11.949 10.479 ( 2.060 -2.436 -3.778) 4.944 10.559 ( -1.550 6.199 -2.374) 6.817 10.812 ( -2.428 -17.413 -1.984) 17.693 11.176 ( 5.124 -4.899 6.287) 9.475 11.424 ( 4.388 -2.926 -1.890) 5.603 11.504 ( 4.850 -3.978 0.314) 6.281 11.895 ( -2.143 0.663 1.884) 2.930 11.940 ( -1.904 -1.049 -2.565) 3.362 12.083 ( 3.317 6.385 0.520) 7.214 12.417 ( -0.322 -1.985 1.416) 2.460 19.225 ( 0.739 1.792 0.442) 1.988 19.407 ( 1.552 -4.298 -0.329) 4.581 19.823 ( -2.030 4.986 0.972) 5.471 20.063 ( -5.992 -3.500 2.693) 7.444 20.487 ( 6.155 0.628 -0.058) 6.187 20.586 ( 5.447 -0.852 -2.128) 5.909 20.779 ( 10.061 -0.052 4.360) 10.965 21.132 ( 6.950 -6.977 -3.851) 10.574 21.378 ( -1.470 4.131 0.967) 4.490 21.581 ( -4.449 -2.595 0.721) 5.201 21.759 ( -0.609 -1.877 -3.080) 3.658 21.991 ( 4.422 -8.745 3.499) 10.406 22.768 ( 3.332 3.961 0.742) 5.229 22.783 ( 2.936 3.613 -0.614) 4.696 23.410 ( -6.689 13.093 -0.199) 14.704 23.770 ( -14.668 6.175 -4.835) 16.633 ======================= Grid point 25 (16/104) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 9.084 12.282 3.842) 15.753 1.940 ( 12.563 9.570 13.893) 21.034 2.127 ( -12.402 5.956 1.576) 13.848 2.360 ( 4.992 2.729 -1.559) 5.899 2.442 ( -3.515 1.797 -5.788) 7.006 2.507 ( 2.011 -4.451 1.925) 5.250 2.663 ( -0.968 1.164 2.228) 2.694 2.756 ( 0.956 -5.335 -3.165) 6.276 2.805 ( -2.875 1.491 2.922) 4.362 2.969 ( -1.895 3.235 2.942) 4.766 2.997 ( 2.503 8.069 -1.265) 8.543 3.102 ( -5.169 15.165 0.636) 16.034 3.195 ( -6.987 9.163 -1.678) 11.644 3.297 ( -1.869 0.207 -2.766) 3.345 3.450 ( -2.212 3.120 -0.113) 3.826 3.555 ( 2.345 2.655 0.442) 3.570 3.668 ( -0.802 4.887 -2.807) 5.693 3.751 ( -3.976 7.843 1.088) 8.860 3.928 ( 2.274 2.288 -2.182) 3.895 4.005 ( 1.574 8.692 -0.574) 8.852 4.062 ( -4.013 8.930 1.769) 9.949 4.139 ( -5.268 12.616 0.187) 13.673 4.279 ( -2.899 1.950 -3.214) 4.747 4.380 ( 4.623 0.295 -0.024) 4.633 4.444 ( -7.750 9.527 0.045) 12.281 4.508 ( 9.741 -0.890 0.468) 9.793 4.636 ( -0.291 4.494 -6.761) 8.123 4.740 ( -0.975 1.268 -5.624) 5.847 4.863 ( -0.929 7.889 4.315) 9.040 5.134 ( 5.355 -0.158 -1.100) 5.469 5.193 ( 5.726 2.319 -4.576) 7.688 5.339 ( 6.841 -5.494 1.938) 8.985 5.393 ( 3.439 -1.490 -1.395) 3.999 5.546 ( 4.917 -8.326 4.246) 10.561 5.598 ( 0.731 -0.265 1.647) 1.821 5.727 ( 6.901 -1.977 1.977) 7.446 5.810 ( -1.949 -5.852 -1.995) 6.483 5.909 ( 0.967 -5.408 -1.887) 5.809 5.987 ( 2.978 -7.509 3.254) 8.709 6.058 ( -1.134 -3.105 1.206) 3.519 6.262 ( -2.840 -3.662 -3.543) 5.834 6.432 ( -1.770 -4.016 2.351) 4.978 6.658 ( -2.975 0.230 4.041) 5.023 6.666 ( -2.934 2.106 -0.360) 3.630 6.759 ( 0.964 -2.101 1.382) 2.693 7.061 ( 1.163 -5.384 0.699) 5.553 7.287 ( 2.428 4.131 -2.664) 5.482 7.366 ( 2.866 4.118 -0.612) 5.054 8.350 ( -3.383 5.098 -0.091) 6.119 8.675 ( -11.452 8.782 2.785) 14.697 8.763 ( 1.927 0.707 -0.415) 2.094 8.951 ( -0.270 2.127 -4.759) 5.220 9.182 ( -3.763 -1.730 0.740) 4.207 9.294 ( -6.430 1.755 -1.971) 6.951 9.945 ( -3.561 7.104 8.646) 11.744 10.005 ( 6.015 -3.971 -0.148) 7.209 10.323 ( 5.308 -11.499 -3.059) 13.029 10.380 ( -0.850 5.981 -4.305) 7.418 10.486 ( 6.859 -8.899 -2.528) 11.516 10.612 ( 3.211 -2.511 3.701) 5.506 10.790 ( 2.376 -17.645 -1.522) 17.869 11.261 ( 0.892 -6.801 0.677) 6.893 11.443 ( -1.573 -2.684 0.044) 3.111 11.573 ( 1.138 -2.379 3.506) 4.387 11.864 ( -2.482 0.585 -2.092) 3.298 11.890 ( -0.352 -0.861 -0.581) 1.097 12.164 ( 5.489 5.657 0.279) 7.887 12.441 ( 1.227 -1.897 1.452) 2.686 19.243 ( 0.789 1.835 0.552) 2.073 19.430 ( 1.389 -4.356 -0.227) 4.578 19.798 ( -1.589 3.718 0.421) 4.065 19.966 ( -6.576 -2.179 1.449) 7.077 20.627 ( 9.229 0.061 0.558) 9.246 20.668 ( 6.299 -0.680 -2.241) 6.721 20.962 ( 6.926 0.720 2.839) 7.519 21.196 ( 2.379 -3.327 -1.090) 4.232 21.348 ( -2.946 2.953 -0.204) 4.177 21.479 ( -4.936 0.090 -0.143) 4.938 21.729 ( 0.307 -3.400 -3.874) 5.164 22.104 ( 4.275 -11.046 3.496) 12.350 22.834 ( 4.099 4.469 -0.386) 6.076 22.853 ( 5.207 4.177 0.722) 6.714 23.279 ( -7.998 11.554 -0.301) 14.055 23.512 ( -11.689 6.380 -2.592) 13.567 ======================= Grid point 26 (17/104) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -7.754 5.565 0.182) 9.546 1.964 ( 1.362 7.197 -0.795) 7.368 2.144 ( -4.010 5.808 1.964) 7.326 2.331 ( -3.814 7.484 -6.454) 10.593 2.455 ( 6.074 1.439 5.497) 8.318 2.542 ( 4.597 1.275 1.793) 5.096 2.685 ( 3.145 1.453 2.933) 4.539 2.786 ( 1.886 -1.359 0.168) 2.331 2.866 ( -1.307 -2.510 5.498) 6.184 2.897 ( -3.258 -0.608 4.135) 5.300 2.989 ( 1.293 0.531 -0.751) 1.587 3.049 ( -1.013 16.902 -4.257) 17.459 3.117 ( -2.407 6.752 0.313) 7.175 3.211 ( -5.217 4.984 -2.155) 7.531 3.416 ( -2.216 4.470 -0.578) 5.022 3.587 ( -0.242 6.359 -0.621) 6.394 3.629 ( 0.142 3.144 -2.605) 4.085 3.677 ( -4.446 3.600 0.144) 5.723 3.896 ( -4.352 2.715 -7.152) 8.801 3.968 ( 0.954 7.568 1.959) 7.875 4.070 ( -1.482 8.911 -2.035) 9.259 4.095 ( -1.894 6.815 4.506) 8.387 4.204 ( 1.687 13.313 1.111) 13.466 4.347 ( -3.139 11.453 -4.008) 12.533 4.391 ( -3.743 -1.270 -2.611) 4.737 4.616 ( 1.502 -4.182 3.462) 5.633 4.648 ( 4.199 5.093 -5.073) 8.324 4.784 ( 8.416 1.114 1.730) 8.663 4.905 ( 1.415 6.345 3.470) 7.369 5.193 ( 2.312 2.437 0.515) 3.398 5.256 ( 4.479 -0.330 -2.037) 4.931 5.389 ( 1.652 -0.164 -2.747) 3.210 5.507 ( 2.620 -3.619 3.286) 5.547 5.616 ( 5.363 -6.114 1.121) 8.210 5.656 ( 2.047 -3.952 -1.981) 4.872 5.783 ( 2.460 -6.524 -0.924) 7.033 5.835 ( 3.100 -2.537 -2.015) 4.484 5.893 ( -1.297 -6.243 -2.141) 6.726 6.008 ( -3.542 -4.419 -0.089) 5.664 6.061 ( -1.924 -8.509 7.404) 11.442 6.224 ( 3.259 -1.289 -3.080) 4.666 6.404 ( -1.131 -4.290 1.644) 4.732 6.618 ( -1.357 3.279 0.141) 3.551 6.698 ( -0.253 3.866 4.853) 6.209 6.776 ( 1.212 -0.592 -0.951) 1.651 7.041 ( -3.320 -7.009 0.487) 7.771 7.296 ( 1.064 4.178 -2.367) 4.918 7.418 ( 2.948 2.773 -0.053) 4.048 8.279 ( -3.478 5.227 -1.197) 6.391 8.529 ( -8.149 7.466 3.024) 11.458 8.785 ( 0.851 2.662 0.054) 2.795 8.874 ( -2.179 3.601 -4.621) 6.250 9.122 ( -3.130 -0.795 0.545) 3.275 9.238 ( -0.508 0.313 -0.431) 0.736 9.963 ( -1.694 8.611 5.224) 10.213 10.093 ( 4.233 -3.154 -0.517) 5.304 10.332 ( 0.298 2.417 -3.902) 4.599 10.357 ( 1.314 -9.782 -1.556) 9.992 10.607 ( 6.163 -10.903 0.932) 12.559 10.685 ( 1.551 -4.122 3.319) 5.515 10.870 ( 7.163 -16.126 -1.081) 17.679 11.228 ( -1.975 -8.176 -4.027) 9.325 11.381 ( -6.185 -0.100 2.664) 6.735 11.595 ( -1.715 -1.948 2.927) 3.912 11.817 ( 0.260 1.707 -2.916) 3.389 11.896 ( 0.277 -3.220 0.687) 3.304 12.258 ( 4.484 4.494 0.285) 6.355 12.469 ( 0.749 -0.752 0.677) 1.259 19.259 ( 0.515 1.827 0.386) 1.938 19.448 ( 0.793 -4.354 -0.140) 4.427 19.779 ( -0.708 2.757 -0.054) 2.847 19.881 ( -3.982 -0.753 0.612) 4.099 20.751 ( 5.236 -0.910 -1.703) 5.580 20.798 ( 8.774 -1.658 1.765) 9.102 21.056 ( 2.966 2.870 -0.492) 4.156 21.181 ( -2.575 -0.379 -0.604) 2.672 21.241 ( -8.048 0.165 0.421) 8.061 21.490 ( 3.703 3.952 1.817) 5.713 21.695 ( -0.575 -5.418 -3.558) 6.508 22.183 ( 2.135 -11.010 1.791) 11.357 22.910 ( 5.248 6.079 -0.485) 8.045 22.959 ( 5.998 4.883 0.923) 7.789 23.141 ( -7.516 9.341 -0.149) 11.991 23.319 ( -8.836 4.457 -1.208) 9.969 ======================= Grid point 27 (18/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 6.073 0.000) 6.073 2.024 ( 0.000 -1.280 0.000) 1.280 2.046 ( -0.000 10.246 -0.000) 10.246 2.247 ( 0.000 8.638 0.000) 8.638 2.495 ( -0.000 4.045 0.000) 4.045 2.718 ( 0.000 1.504 0.000) 1.504 2.782 ( 0.000 2.695 0.000) 2.695 2.789 ( -0.000 -1.789 0.000) 1.789 2.827 ( 0.000 1.995 -0.000) 1.995 2.875 ( 0.000 -3.481 0.000) 3.481 2.974 ( -0.000 4.923 0.000) 4.923 3.075 ( 0.000 9.713 -0.000) 9.713 3.076 ( -0.000 5.255 0.000) 5.255 3.147 ( -0.000 6.591 0.000) 6.591 3.391 ( 0.000 4.652 -0.000) 4.652 3.577 ( -0.000 6.749 -0.000) 6.749 3.591 ( 0.000 7.070 0.000) 7.070 3.653 ( 0.000 -3.810 0.000) 3.810 3.808 ( 0.000 5.467 0.000) 5.467 3.998 ( -0.000 -4.230 0.000) 4.230 4.025 ( 0.000 21.832 -0.000) 21.832 4.113 ( -0.000 10.872 0.000) 10.872 4.261 ( 0.000 7.748 -0.000) 7.748 4.299 ( -0.000 2.805 -0.000) 2.805 4.313 ( 0.000 4.914 0.000) 4.914 4.651 ( -0.000 3.101 0.000) 3.101 4.656 ( 0.000 -2.313 -0.000) 2.313 4.869 ( 0.000 10.418 0.000) 10.418 4.958 ( 0.000 -3.581 0.000) 3.581 5.220 ( 0.000 5.944 0.000) 5.944 5.294 ( 0.000 -1.270 0.000) 1.270 5.384 ( 0.000 -1.582 0.000) 1.582 5.524 ( 0.000 -0.638 0.000) 0.638 5.624 ( 0.000 -3.256 -0.000) 3.256 5.724 ( 0.000 -6.562 0.000) 6.562 5.816 ( 0.000 -5.019 0.000) 5.019 5.844 ( -0.000 -4.178 -0.000) 4.178 5.857 ( -0.000 -5.372 -0.000) 5.372 5.975 ( 0.000 -7.089 0.000) 7.089 6.051 ( -0.000 -12.146 0.000) 12.146 6.272 ( -0.000 4.268 -0.000) 4.268 6.401 ( 0.000 -2.440 0.000) 2.440 6.628 ( 0.000 1.744 0.000) 1.744 6.696 ( 0.000 2.337 -0.000) 2.337 6.792 ( 0.000 0.716 0.000) 0.716 7.002 ( 0.000 -7.942 0.000) 7.942 7.291 ( 0.000 4.803 0.000) 4.803 7.446 ( 0.000 1.892 0.000) 1.892 8.239 ( 0.000 4.935 0.000) 4.935 8.467 ( 0.000 6.382 0.000) 6.382 8.795 ( 0.000 2.512 -0.000) 2.512 8.831 ( 0.000 4.836 0.000) 4.836 9.095 ( -0.000 0.292 0.000) 0.292 9.235 ( 0.000 -0.017 0.000) 0.017 9.971 ( 0.000 9.366 0.000) 9.366 10.129 ( 0.000 -2.320 -0.000) 2.320 10.318 ( -0.000 -0.854 0.000) 0.854 10.361 ( 0.000 -8.194 -0.000) 8.194 10.670 ( 0.000 -13.979 0.000) 13.979 10.717 ( 0.000 -2.224 0.000) 2.224 10.947 ( 0.000 -17.114 0.000) 17.114 11.179 ( 0.000 -7.038 0.000) 7.038 11.324 ( 0.000 1.530 0.000) 1.530 11.588 ( 0.000 -2.048 0.000) 2.048 11.811 ( 0.000 2.203 0.000) 2.203 11.902 ( 0.000 -4.412 -0.000) 4.412 12.301 ( 0.000 3.812 0.000) 3.812 12.478 ( 0.000 0.012 0.000) 0.012 19.265 ( 0.000 1.811 0.000) 1.811 19.454 ( 0.000 -4.341 0.000) 4.341 19.773 ( 0.000 2.377 0.000) 2.377 19.848 ( 0.000 -0.190 0.000) 0.190 20.794 ( 0.000 -1.152 0.000) 1.152 20.914 ( 0.000 -5.071 0.000) 5.071 21.059 ( 0.000 7.503 -0.000) 7.503 21.140 ( 0.000 0.027 0.000) 0.027 21.166 ( 0.000 -0.551 0.000) 0.551 21.550 ( 0.000 8.079 0.000) 8.079 21.663 ( 0.000 -9.535 0.000) 9.535 22.208 ( 0.000 -10.777 0.000) 10.777 22.987 ( 0.000 9.045 -0.000) 9.045 23.033 ( -0.000 5.919 -0.000) 5.919 23.047 ( 0.000 6.711 0.000) 6.711 23.217 ( 0.000 2.265 0.000) 2.265 ======================= Grid point 33 (19/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 23.361 0.000) 23.361 1.713 ( 0.000 25.510 0.000) 25.510 1.915 ( 0.000 -12.050 0.000) 12.050 2.071 ( 0.000 3.542 0.000) 3.542 2.164 ( 0.000 -17.735 0.000) 17.735 2.221 ( 0.000 -15.852 0.000) 15.852 2.805 ( 0.000 7.322 0.000) 7.322 2.946 ( 0.000 -7.000 0.000) 7.000 3.007 ( 0.000 4.669 0.000) 4.669 3.042 ( 0.000 27.001 0.000) 27.001 3.082 ( 0.000 -2.649 0.000) 2.649 3.287 ( 0.000 2.041 0.000) 2.041 3.340 ( 0.000 -4.234 0.000) 4.234 3.384 ( 0.000 -5.468 0.000) 5.468 3.732 ( 0.000 11.581 0.000) 11.581 3.734 ( 0.000 14.208 0.000) 14.208 3.834 ( 0.000 1.279 0.000) 1.279 3.839 ( 0.000 1.690 0.000) 1.690 3.929 ( 0.000 -3.062 0.000) 3.062 4.020 ( 0.000 -11.696 0.000) 11.696 4.137 ( 0.000 12.431 0.000) 12.431 4.411 ( 0.000 -7.619 0.000) 7.619 4.460 ( 0.000 8.202 0.000) 8.202 4.467 ( 0.000 1.858 0.000) 1.858 4.549 ( 0.000 -2.829 0.000) 2.829 4.617 ( 0.000 -6.473 0.000) 6.473 4.798 ( 0.000 7.121 0.000) 7.121 4.894 ( 0.000 -4.052 0.000) 4.052 5.149 ( 0.000 8.129 0.000) 8.129 5.186 ( 0.000 0.044 0.000) 0.044 5.236 ( 0.000 10.354 0.000) 10.354 5.302 ( 0.000 10.242 0.000) 10.242 5.319 ( 0.000 5.927 0.000) 5.927 5.473 ( 0.000 -7.336 0.000) 7.336 5.507 ( 0.000 7.139 0.000) 7.139 5.622 ( 0.000 3.037 0.000) 3.037 5.708 ( 0.000 0.937 0.000) 0.937 5.732 ( 0.000 -7.041 0.000) 7.041 5.974 ( 0.000 -0.263 0.000) 0.263 6.009 ( 0.000 -4.446 0.000) 4.446 6.083 ( 0.000 -2.319 0.000) 2.319 6.240 ( 0.000 4.324 0.000) 4.324 6.415 ( 0.000 -27.950 0.000) 27.950 6.429 ( 0.000 -10.624 0.000) 10.624 6.762 ( 0.000 4.867 0.000) 4.867 6.839 ( 0.000 -3.103 0.000) 3.103 7.385 ( 0.000 3.433 0.000) 3.433 7.404 ( 0.000 1.951 0.000) 1.951 8.539 ( 0.000 4.435 0.000) 4.435 8.620 ( 0.000 -1.813 0.000) 1.813 8.853 ( 0.000 0.884 0.000) 0.884 8.943 ( 0.000 -5.881 0.000) 5.881 9.423 ( 0.000 4.355 0.000) 4.355 9.481 ( 0.000 -3.349 0.000) 3.349 9.849 ( 0.000 10.500 0.000) 10.500 10.099 ( 0.000 2.506 0.000) 2.506 10.152 ( 0.000 -10.125 0.000) 10.125 10.278 ( 0.000 -8.147 0.000) 8.147 10.455 ( 0.000 6.747 0.000) 6.747 10.648 ( 0.000 -11.193 0.000) 11.193 10.830 ( 0.000 4.176 0.000) 4.176 10.873 ( 0.000 1.032 0.000) 1.032 11.249 ( 0.000 -1.757 0.000) 1.757 11.273 ( 0.000 -3.752 0.000) 3.752 11.914 ( 0.000 0.499 0.000) 0.499 11.934 ( 0.000 -1.778 0.000) 1.778 12.220 ( 0.000 9.115 0.000) 9.115 12.376 ( 0.000 -6.265 0.000) 6.265 19.249 ( 0.000 2.453 0.000) 2.453 19.305 ( 0.000 -3.237 0.000) 3.237 19.981 ( 0.000 5.063 0.000) 5.063 20.057 ( 0.000 -2.728 0.000) 2.728 20.394 ( 0.000 0.924 0.000) 0.924 20.411 ( 0.000 -0.741 0.000) 0.741 20.649 ( 0.000 4.167 0.000) 4.167 20.774 ( 0.000 -8.335 0.000) 8.335 21.456 ( 0.000 3.318 0.000) 3.318 21.512 ( 0.000 -2.175 0.000) 2.175 21.835 ( 0.000 0.481 0.000) 0.481 21.863 ( 0.000 -2.209 0.000) 2.209 22.768 ( 0.000 2.106 0.000) 2.106 22.780 ( 0.000 0.889 0.000) 0.889 23.827 ( 0.000 13.952 0.000) 13.952 24.071 ( 0.000 -10.473 0.000) 10.473 ======================= Grid point 34 (20/104) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 5.602 20.959 7.688) 23.016 1.776 ( 6.426 23.093 0.351) 23.973 2.002 ( 5.702 -13.358 6.260) 15.816 2.144 ( 5.809 2.544 3.654) 7.319 2.231 ( 3.664 -19.575 -0.393) 19.919 2.250 ( 5.893 -7.507 1.810) 9.714 2.794 ( -1.585 6.574 -0.817) 6.812 2.934 ( -2.409 -5.860 1.582) 6.531 2.965 ( -2.219 3.129 -5.363) 6.593 3.022 ( -2.535 1.108 -3.249) 4.267 3.128 ( 5.136 20.707 2.168) 21.445 3.275 ( -0.489 3.505 0.187) 3.544 3.344 ( 0.890 -4.280 -1.076) 4.502 3.423 ( 1.824 -4.110 4.155) 6.122 3.688 ( -4.310 9.761 -3.970) 11.385 3.719 ( -2.507 9.854 4.709) 11.205 3.821 ( 1.982 1.621 -3.516) 4.350 3.851 ( 1.517 3.053 -1.094) 3.580 3.886 ( -4.827 -4.835 -2.848) 7.402 4.011 ( 0.736 -8.734 -2.031) 8.997 4.086 ( -0.409 13.017 -2.356) 13.235 4.390 ( -4.545 3.557 3.912) 6.972 4.408 ( 0.052 -2.345 -4.854) 5.391 4.537 ( -3.374 -3.094 -4.181) 6.199 4.594 ( 4.729 3.542 4.509) 7.432 4.623 ( 2.710 -0.692 4.240) 5.080 4.825 ( -1.391 1.704 4.807) 5.286 4.886 ( -1.648 -4.312 0.252) 4.623 5.049 ( -4.926 6.110 -9.672) 12.456 5.092 ( -2.041 4.293 -4.777) 6.739 5.228 ( 0.127 8.204 0.465) 8.218 5.295 ( -3.300 0.901 1.732) 3.835 5.382 ( 2.714 11.449 0.716) 11.788 5.424 ( -4.408 5.157 -4.000) 7.876 5.479 ( 0.636 2.047 1.868) 2.843 5.557 ( -1.740 0.948 1.398) 2.425 5.739 ( 0.052 -10.419 -3.157) 10.887 5.774 ( 0.769 -10.975 1.930) 11.170 5.967 ( 1.402 4.573 0.208) 4.787 6.009 ( -0.812 5.048 -0.341) 5.125 6.123 ( 3.838 -5.539 0.394) 6.750 6.306 ( 1.464 1.477 0.692) 2.192 6.433 ( 4.413 -20.724 1.513) 21.243 6.482 ( 3.084 -11.973 4.534) 13.170 6.771 ( 0.584 5.106 0.854) 5.210 6.857 ( 2.060 -3.752 0.069) 4.281 7.374 ( -0.207 3.270 -1.757) 3.718 7.395 ( -0.646 1.533 -0.204) 1.676 8.531 ( -0.914 5.864 0.479) 5.954 8.639 ( 1.470 -3.581 0.798) 3.952 8.872 ( 2.221 1.057 -0.323) 2.481 8.936 ( 1.174 -3.891 -3.078) 5.098 9.427 ( -1.813 7.122 2.661) 7.816 9.529 ( 0.985 -4.825 5.411) 7.316 9.798 ( -2.880 8.566 -2.169) 9.294 10.077 ( -3.898 -15.504 -3.639) 16.395 10.142 ( 0.820 4.386 0.588) 4.500 10.274 ( -5.237 -1.553 3.573) 6.527 10.362 ( -0.397 4.584 -3.330) 5.680 10.581 ( -5.147 -13.533 -1.742) 14.584 10.858 ( 0.150 7.831 -2.511) 8.225 10.953 ( 6.214 -1.707 3.412) 7.291 11.294 ( 5.620 -1.606 -1.850) 6.131 11.321 ( 5.985 -3.880 -0.979) 7.199 11.914 ( -1.095 0.201 1.517) 1.881 11.930 ( -0.641 -1.534 0.508) 1.738 12.215 ( -0.089 8.550 -0.284) 8.555 12.360 ( -1.133 -5.730 -0.470) 5.860 19.254 ( 0.543 2.513 0.137) 2.575 19.312 ( 0.758 -3.317 -0.001) 3.403 19.960 ( -2.849 4.922 1.315) 5.837 20.043 ( -2.733 -3.505 1.718) 4.765 20.432 ( 2.158 0.544 1.160) 2.509 20.450 ( 4.259 -1.257 2.350) 5.024 20.695 ( 6.929 5.888 -1.980) 9.306 20.843 ( 8.274 -8.797 -2.466) 12.326 21.461 ( -0.023 3.638 0.845) 3.734 21.527 ( 0.565 -2.931 1.337) 3.271 21.809 ( -2.280 0.988 -0.815) 2.616 21.850 ( -0.960 -3.022 -0.338) 3.189 22.784 ( 1.722 2.054 0.108) 2.683 22.794 ( 1.645 1.008 -0.128) 1.933 23.777 ( -5.245 12.768 -0.576) 13.816 23.987 ( -8.007 -7.966 -2.257) 11.518 ======================= Grid point 35 (21/104) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 8.171 14.940 12.645) 21.210 1.902 ( 6.365 15.347 1.801) 16.712 2.186 ( 8.416 -11.231 7.730) 16.022 2.262 ( 0.213 -5.690 1.673) 5.934 2.294 ( 5.346 0.657 5.216) 7.498 2.394 ( 6.670 -8.239 0.966) 10.644 2.711 ( -6.194 6.547 -3.899) 9.820 2.835 ( -6.284 -3.621 -7.886) 10.714 2.879 ( -4.337 1.067 -0.449) 4.489 2.937 ( -1.650 -4.177 -3.529) 5.711 3.206 ( 2.868 11.386 -1.229) 11.806 3.311 ( 1.422 1.204 -1.417) 2.341 3.375 ( 2.317 2.497 2.760) 4.384 3.452 ( -3.595 -1.797 1.204) 4.196 3.554 ( -5.318 9.646 -3.107) 11.445 3.689 ( -5.615 6.781 1.111) 8.874 3.769 ( -1.809 -2.836 -1.059) 3.526 3.853 ( 0.552 -2.644 -1.250) 2.976 3.900 ( 7.416 7.910 -1.598) 10.960 4.038 ( 2.151 -1.805 2.730) 3.917 4.129 ( 6.615 7.366 -0.311) 9.905 4.337 ( -4.828 -3.246 0.917) 5.889 4.353 ( -4.961 9.168 1.666) 10.556 4.441 ( -1.373 -3.589 -7.215) 8.175 4.588 ( -3.549 7.203 0.712) 8.061 4.658 ( -6.054 -2.159 0.027) 6.428 4.797 ( -2.728 3.296 3.328) 5.420 4.904 ( 3.161 -6.172 6.881) 9.769 4.998 ( 6.789 8.754 -10.986) 15.602 5.046 ( 3.148 4.292 -5.917) 7.959 5.224 ( -1.640 9.682 -2.480) 10.128 5.287 ( 0.105 1.353 0.954) 1.658 5.323 ( -0.088 -2.569 3.458) 4.309 5.422 ( -4.914 9.801 -0.964) 11.006 5.541 ( 4.803 0.577 1.886) 5.193 5.562 ( 2.956 -3.382 0.955) 4.592 5.694 ( -0.446 -10.432 -0.571) 10.458 5.777 ( 0.636 -9.515 -2.562) 9.875 5.962 ( -2.314 9.538 -2.374) 10.098 6.015 ( 1.678 3.088 -1.131) 3.692 6.170 ( 1.339 -9.165 -0.927) 9.308 6.270 ( -3.657 -15.391 0.289) 15.822 6.558 ( 4.812 -2.824 5.292) 7.690 6.603 ( 4.744 -4.545 5.385) 8.495 6.790 ( 0.246 5.629 1.137) 5.748 6.903 ( 2.324 -5.533 0.866) 6.063 7.358 ( 0.892 3.326 -2.548) 4.284 7.390 ( 0.927 0.507 -1.246) 1.634 8.519 ( -1.331 7.642 0.942) 7.814 8.669 ( 0.332 -6.298 1.591) 6.505 8.900 ( 0.153 2.849 -0.073) 2.854 8.947 ( 2.759 -1.242 -1.808) 3.525 9.367 ( -6.589 10.100 -0.238) 12.062 9.501 ( -8.111 -2.003 -0.434) 8.366 9.806 ( 3.626 0.621 3.154) 4.846 9.962 ( -2.919 -12.359 -1.136) 12.749 10.174 ( 1.564 4.867 1.232) 5.258 10.230 ( -0.776 1.143 2.127) 2.537 10.406 ( 4.663 -4.763 -0.331) 6.674 10.495 ( -3.429 -12.067 0.006) 12.545 10.805 ( -0.444 13.602 -7.365) 15.474 11.045 ( 3.057 -9.644 -1.872) 10.289 11.388 ( 4.997 0.555 1.059) 5.138 11.433 ( 5.336 -3.226 2.324) 6.654 11.899 ( -1.667 0.467 0.737) 1.881 11.917 ( -1.333 -1.194 -0.385) 1.830 12.226 ( 1.821 7.136 0.011) 7.364 12.348 ( 0.406 -4.946 0.130) 4.965 19.269 ( 0.911 2.629 0.297) 2.798 19.329 ( 1.192 -3.479 0.059) 3.678 19.914 ( -3.787 4.164 1.690) 5.877 19.991 ( -5.070 -3.676 2.224) 6.646 20.509 ( 6.054 1.578 0.117) 6.258 20.548 ( 5.867 -2.252 -0.198) 6.287 20.846 ( 10.520 5.831 0.337) 12.033 20.984 ( 9.747 -7.577 -2.133) 12.528 21.455 ( -1.749 3.564 0.277) 3.979 21.522 ( -2.684 -3.234 0.170) 4.206 21.763 ( -1.756 2.412 -0.723) 3.070 21.847 ( 0.886 -5.855 1.191) 6.040 22.830 ( 3.511 1.927 0.234) 4.012 22.836 ( 3.434 1.360 -0.161) 3.697 23.648 ( -8.741 10.179 -0.754) 13.438 23.790 ( -11.615 -3.586 -2.637) 12.438 ======================= Grid point 36 (22/104) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.344 9.060 3.541) 9.733 2.062 ( 0.831 2.001 7.732) 8.030 2.266 ( 0.929 7.022 4.943) 8.637 2.369 ( -0.879 -2.774 5.806) 6.495 2.400 ( 6.658 -0.174 2.108) 6.986 2.501 ( 6.294 -4.856 -0.757) 7.985 2.589 ( 0.779 1.265 -1.579) 2.168 2.662 ( -4.813 -3.919 -4.500) 7.666 2.830 ( -2.197 1.403 1.265) 2.898 2.888 ( -3.122 -4.621 0.105) 5.578 3.152 ( -5.713 4.702 -6.056) 9.561 3.233 ( -7.484 -3.434 -4.715) 9.488 3.353 ( 0.260 5.044 -3.768) 6.302 3.380 ( -2.063 1.812 -3.301) 4.293 3.551 ( -0.055 7.617 6.984) 10.334 3.645 ( -2.509 3.339 3.628) 5.532 3.759 ( 0.886 3.946 -3.641) 5.442 3.823 ( -2.156 0.587 -1.954) 2.968 3.943 ( 0.152 4.222 -3.329) 5.378 4.076 ( -5.863 -2.584 0.145) 6.409 4.236 ( -4.178 4.841 2.562) 6.889 4.264 ( -2.383 2.559 -2.511) 4.305 4.300 ( 8.743 1.369 4.600) 9.974 4.422 ( 1.376 -6.954 -1.458) 7.237 4.561 ( -0.082 11.817 1.738) 11.944 4.617 ( 5.619 7.317 1.268) 9.312 4.821 ( -0.992 9.324 -0.851) 9.415 4.884 ( -3.422 7.451 -6.896) 10.714 5.051 ( 1.577 6.095 0.778) 6.343 5.134 ( 8.880 -1.615 -0.763) 9.058 5.177 ( 1.074 -2.081 -1.733) 2.913 5.254 ( -1.420 -0.040 -0.239) 1.441 5.394 ( 3.811 -0.164 1.656) 4.159 5.401 ( 3.614 -3.887 2.101) 5.708 5.576 ( 1.980 -0.383 -0.603) 2.105 5.701 ( 1.415 -3.682 1.060) 4.084 5.719 ( 5.305 -0.719 0.800) 5.413 5.766 ( 0.727 -7.739 -0.202) 7.776 5.901 ( -0.849 1.838 -3.134) 3.731 5.992 ( -1.674 -3.633 -3.913) 5.595 6.155 ( 0.458 -4.343 -3.107) 5.360 6.235 ( -1.295 -11.703 2.791) 12.100 6.671 ( 2.259 1.567 5.680) 6.310 6.707 ( 2.500 -1.636 3.948) 4.951 6.786 ( -1.580 6.603 0.335) 6.798 6.930 ( -0.573 -7.360 0.745) 7.420 7.364 ( 2.116 3.394 -2.560) 4.749 7.406 ( 2.267 -0.352 -1.679) 2.844 8.489 ( -3.401 8.442 0.638) 9.124 8.656 ( -4.399 -7.384 2.058) 8.838 8.878 ( -2.501 7.249 1.115) 7.749 8.965 ( -0.170 -1.342 -1.449) 1.983 9.245 ( -4.607 6.297 -2.634) 8.235 9.326 ( -7.125 -0.309 -3.015) 7.743 9.915 ( 3.802 -1.386 5.206) 6.594 9.978 ( 2.345 -6.709 1.914) 7.360 10.216 ( 2.786 3.045 0.010) 4.127 10.279 ( 3.919 -3.916 1.928) 5.866 10.462 ( -1.912 -5.851 2.311) 6.575 10.494 ( 5.266 -7.707 0.759) 9.365 10.740 ( 1.211 14.113 -8.123) 16.329 11.036 ( 0.665 -14.347 -6.499) 15.764 11.456 ( -0.512 2.816 4.609) 5.425 11.519 ( 0.992 -3.140 4.203) 5.339 11.869 ( -1.736 0.410 -1.042) 2.066 11.880 ( -1.031 -0.527 -1.839) 2.173 12.280 ( 3.946 5.657 0.340) 6.905 12.379 ( 2.492 -4.211 0.628) 4.934 19.288 ( 0.931 2.719 0.359) 2.896 19.351 ( 1.156 -3.604 0.092) 3.786 19.865 ( -3.242 3.019 1.068) 4.557 19.919 ( -4.844 -2.521 1.474) 5.656 20.631 ( 7.915 0.477 -0.413) 7.940 20.648 ( 6.620 -1.136 -1.550) 6.893 21.022 ( 8.282 4.634 1.162) 9.561 21.118 ( 6.439 -4.572 -0.362) 7.905 21.394 ( -5.177 2.384 -0.977) 5.782 21.453 ( -3.069 -3.039 -1.592) 4.603 21.744 ( -0.347 5.213 0.140) 5.226 21.898 ( 2.541 -9.486 2.270) 10.079 22.905 ( 5.097 2.257 0.014) 5.574 22.913 ( 5.531 1.480 0.261) 5.732 23.478 ( -10.070 7.758 -0.654) 12.728 23.567 ( -11.706 -0.942 -1.794) 11.880 ======================= Grid point 37 (23/104) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -7.906 5.140 -0.458) 9.441 2.001 ( -4.820 -2.381 -1.067) 5.481 2.279 ( -4.311 7.281 0.681) 8.488 2.374 ( -0.979 -1.990 -0.785) 2.353 2.564 ( 6.780 2.191 -0.560) 7.147 2.590 ( 7.285 7.981 8.772) 13.919 2.650 ( 4.594 -3.558 1.241) 5.941 2.736 ( 4.941 -3.552 4.450) 7.539 2.811 ( -2.404 -1.281 4.709) 5.440 2.833 ( -2.826 -3.799 2.423) 5.319 3.023 ( -2.678 3.150 -3.457) 5.389 3.089 ( -3.525 -3.645 -3.893) 6.393 3.294 ( -2.047 5.274 -6.899) 8.922 3.338 ( 1.605 1.715 -4.968) 5.495 3.568 ( -4.895 7.232 4.724) 9.929 3.620 ( -4.082 0.593 3.928) 5.696 3.722 ( -0.518 4.430 -5.125) 6.794 3.743 ( -4.868 1.845 -1.704) 5.478 3.906 ( -1.292 -0.498 -3.973) 4.207 3.935 ( -4.509 -2.871 0.244) 5.351 4.198 ( -2.215 1.896 0.461) 2.952 4.226 ( -0.714 -0.309 -2.267) 2.397 4.414 ( 2.137 9.065 4.484) 10.337 4.530 ( 5.241 -1.952 6.158) 8.318 4.611 ( 2.093 17.505 0.355) 17.633 4.641 ( -2.453 8.517 -8.138) 12.033 4.761 ( -2.800 5.244 -6.921) 9.124 4.835 ( 5.785 3.294 3.360) 7.457 5.087 ( 0.748 8.795 1.206) 8.909 5.197 ( 1.683 -2.588 3.326) 4.538 5.253 ( 5.069 0.675 1.097) 5.230 5.369 ( 7.568 -7.772 5.129) 12.000 5.434 ( 0.934 2.074 -2.319) 3.248 5.506 ( 5.827 -4.185 -0.733) 7.211 5.611 ( 2.639 -1.512 -0.504) 3.083 5.672 ( -1.767 -1.796 1.097) 2.748 5.738 ( -0.422 -6.011 -4.768) 7.684 5.788 ( 1.310 -3.843 -4.279) 5.899 5.875 ( -5.244 -5.871 4.723) 9.180 5.903 ( -3.860 -5.859 -3.729) 7.946 6.215 ( 8.342 1.699 0.274) 8.518 6.298 ( 5.523 -5.797 2.294) 8.329 6.696 ( -3.043 3.905 0.910) 5.034 6.745 ( -1.996 -0.759 1.350) 2.526 6.780 ( 1.458 3.299 1.652) 3.967 6.894 ( -3.381 -7.270 0.184) 8.020 7.378 ( 1.496 3.801 -1.625) 4.396 7.433 ( 2.016 -1.323 -0.988) 2.606 8.414 ( -4.783 7.930 -0.257) 9.264 8.559 ( -7.090 -5.157 1.243) 8.855 8.855 ( -1.150 5.535 0.999) 5.741 8.922 ( -1.912 0.040 -1.489) 2.424 9.185 ( -0.660 4.831 -1.338) 5.056 9.246 ( -1.157 -0.662 -1.183) 1.782 10.005 ( 1.528 -1.993 4.093) 4.802 10.030 ( 2.054 -3.320 0.631) 3.955 10.270 ( 4.004 2.989 -1.440) 5.200 10.358 ( 2.157 -4.384 0.918) 4.971 10.468 ( -0.554 -0.069 4.951) 4.982 10.590 ( 4.553 -10.783 0.898) 11.739 10.714 ( 2.568 9.127 -5.579) 11.002 10.975 ( -0.716 -14.678 -6.150) 15.930 11.450 ( -3.656 4.650 3.488) 6.867 11.536 ( -2.246 -3.831 3.087) 5.408 11.839 ( 0.122 0.903 -1.641) 1.877 11.859 ( -0.313 -1.100 -0.835) 1.416 12.349 ( 3.216 4.445 0.285) 5.493 12.427 ( 2.076 -3.260 0.384) 3.884 19.304 ( 0.581 2.753 0.245) 2.825 19.368 ( 0.694 -3.649 0.060) 3.715 19.827 ( -1.763 2.047 0.356) 2.725 19.860 ( -2.843 -1.357 0.649) 3.216 20.742 ( 5.372 0.127 -1.211) 5.508 20.760 ( 6.743 -1.691 -0.055) 6.952 21.129 ( 2.904 3.089 0.561) 4.276 21.167 ( -0.453 -1.120 -0.105) 1.213 21.286 ( -5.113 5.289 -0.682) 7.388 21.433 ( 2.045 -8.033 -1.188) 8.373 21.743 ( -0.252 8.859 0.354) 8.870 21.953 ( 1.698 -11.596 1.473) 11.811 23.007 ( 6.768 3.209 0.066) 7.490 23.026 ( 7.139 1.376 0.414) 7.282 23.302 ( -9.662 6.050 -0.459) 11.409 23.365 ( -10.291 -0.263 -0.935) 10.337 ======================= Grid point 38 (24/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 5.757 0.000) 5.757 1.945 ( 0.000 -5.210 0.000) 5.210 2.242 ( 0.000 8.582 -0.000) 8.582 2.342 ( -0.000 -0.415 0.000) 0.415 2.617 ( -0.000 6.697 -0.000) 6.697 2.715 ( 0.000 -3.541 -0.000) 3.541 2.739 ( -0.000 0.041 0.000) 0.041 2.750 ( 0.000 -1.321 0.000) 1.321 2.836 ( 0.000 -1.266 0.000) 1.266 2.846 ( 0.000 -2.229 -0.000) 2.229 2.995 ( 0.000 1.881 0.000) 1.881 3.040 ( 0.000 -2.888 0.000) 2.888 3.230 ( 0.000 7.628 0.000) 7.628 3.339 ( 0.000 0.249 0.000) 0.249 3.530 ( 0.000 5.406 -0.000) 5.406 3.581 ( 0.000 -1.414 0.000) 1.414 3.683 ( -0.000 3.300 0.000) 3.300 3.686 ( 0.000 3.121 -0.000) 3.121 3.865 ( 0.000 1.415 0.000) 1.415 3.914 ( 0.000 -3.675 0.000) 3.675 4.191 ( 0.000 0.562 0.000) 0.562 4.202 ( 0.000 -1.745 -0.000) 1.745 4.461 ( 0.000 17.771 0.000) 17.771 4.554 ( 0.000 7.101 -0.000) 7.101 4.607 ( 0.000 5.235 -0.000) 5.235 4.670 ( 0.000 15.827 0.000) 15.827 4.674 ( -0.000 -1.769 -0.000) 1.769 4.917 ( 0.000 -3.025 0.000) 3.025 5.093 ( 0.000 10.256 0.000) 10.256 5.232 ( 0.000 -4.833 0.000) 4.833 5.361 ( 0.000 8.230 -0.000) 8.230 5.375 ( 0.000 1.125 0.000) 1.125 5.495 ( -0.000 -6.402 -0.000) 6.402 5.531 ( 0.000 -6.307 0.000) 6.307 5.635 ( 0.000 2.027 0.000) 2.027 5.689 ( 0.000 -5.039 0.000) 5.039 5.697 ( -0.000 -5.630 -0.000) 5.630 5.793 ( -0.000 -12.268 0.000) 12.268 5.805 ( 0.000 -1.632 -0.000) 1.632 5.840 ( 0.000 -5.436 0.000) 5.436 6.342 ( -0.000 2.280 0.000) 2.280 6.365 ( 0.000 -0.905 0.000) 0.905 6.663 ( 0.000 1.799 0.000) 1.799 6.701 ( 0.000 -1.520 0.000) 1.520 6.805 ( 0.000 1.049 0.000) 1.049 6.860 ( 0.000 -5.180 0.000) 5.180 7.384 ( 0.000 4.246 0.000) 4.246 7.448 ( 0.000 -1.830 0.000) 1.830 8.363 ( 0.000 7.222 0.000) 7.222 8.494 ( -0.000 -4.394 0.000) 4.394 8.850 ( 0.000 4.482 0.000) 4.482 8.899 ( 0.000 0.901 0.000) 0.901 9.177 ( 0.000 4.869 0.000) 4.869 9.234 ( 0.000 -0.889 0.000) 0.889 10.034 ( 0.000 -2.719 0.000) 2.719 10.053 ( 0.000 -1.919 -0.000) 1.919 10.307 ( 0.000 3.061 -0.000) 3.061 10.367 ( -0.000 -0.103 0.000) 0.103 10.500 ( 0.000 -0.598 0.000) 0.598 10.639 ( 0.000 -12.587 0.000) 12.587 10.717 ( 0.000 5.473 0.000) 5.473 10.934 ( 0.000 -13.848 0.000) 13.848 11.426 ( 0.000 5.689 0.000) 5.689 11.525 ( 0.000 -4.166 0.000) 4.166 11.838 ( 0.000 0.703 0.000) 0.703 11.852 ( 0.000 -1.138 -0.000) 1.138 12.380 ( 0.000 3.875 0.000) 3.875 12.447 ( 0.000 -2.736 0.000) 2.736 19.311 ( 0.000 2.756 0.000) 2.756 19.374 ( 0.000 -3.653 0.000) 3.653 19.813 ( 0.000 1.645 0.000) 1.645 19.838 ( 0.000 -0.878 0.000) 0.878 20.788 ( 0.000 0.759 0.000) 0.759 20.828 ( 0.000 -3.286 0.000) 3.286 21.138 ( 0.000 0.632 0.000) 0.632 21.152 ( 0.000 -0.765 0.000) 0.765 21.244 ( -0.000 9.998 0.000) 9.998 21.455 ( 0.000 -10.957 0.000) 10.957 21.741 ( 0.000 10.993 0.000) 10.993 21.975 ( 0.000 -12.213 0.000) 12.213 23.126 ( 0.000 3.522 0.000) 3.522 23.127 ( -0.000 2.880 -0.000) 2.880 23.161 ( -0.000 5.128 0.000) 5.128 23.229 ( 0.000 -1.323 0.000) 1.323 ======================= Grid point 77 (25/104) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -8.554 0.000 23.785) 25.276 0.564 ( -3.229 0.000 27.335) 27.525 1.083 ( 3.947 0.000 52.002) 52.151 1.729 ( 2.739 0.000 -14.486) 14.743 1.986 ( 1.092 0.000 -16.859) 16.894 2.414 ( 2.844 0.000 17.117) 17.351 2.689 ( -0.736 0.000 10.514) 10.540 2.714 ( 4.044 0.000 0.507) 4.076 2.850 ( 0.275 0.000 -0.199) 0.339 2.953 ( -3.297 0.000 -3.624) 4.900 3.098 ( 1.267 0.000 3.436) 3.662 3.147 ( -0.957 0.000 -0.343) 1.017 3.238 ( -6.025 0.000 2.618) 6.569 3.332 ( 2.628 0.000 0.464) 2.668 3.393 ( -5.213 0.000 0.962) 5.301 3.624 ( 1.831 0.000 0.211) 1.844 3.733 ( -3.203 0.000 -2.861) 4.295 3.785 ( -1.210 0.000 -3.714) 3.906 3.789 ( 2.474 0.000 0.536) 2.531 3.921 ( -0.175 0.000 -9.895) 9.897 3.981 ( 0.493 0.000 -0.903) 1.029 4.005 ( 5.793 0.000 -2.179) 6.189 4.178 ( -6.421 0.000 -2.567) 6.915 4.196 ( 3.633 0.000 2.298) 4.299 4.300 ( -2.042 0.000 -3.897) 4.400 4.469 ( 0.967 0.000 -12.408) 12.446 4.648 ( -22.425 0.000 -1.666) 22.487 4.799 ( 3.247 0.000 0.858) 3.359 4.809 ( 2.186 0.000 -7.607) 7.915 5.040 ( -2.696 0.000 3.445) 4.375 5.137 ( -2.534 0.000 -5.061) 5.660 5.315 ( -1.971 0.000 -4.568) 4.976 5.474 ( 1.320 0.000 1.930) 2.338 5.619 ( 8.291 0.000 2.709) 8.722 5.640 ( -2.534 0.000 1.845) 3.135 5.777 ( 5.736 0.000 4.489) 7.284 5.969 ( 0.609 0.000 9.637) 9.656 6.057 ( 0.585 0.000 -0.003) 0.585 6.120 ( -0.252 0.000 5.134) 5.141 6.137 ( 0.228 0.000 -1.727) 1.742 6.199 ( -11.292 0.000 1.272) 11.363 6.224 ( 3.250 0.000 3.311) 4.640 6.491 ( 0.174 0.000 2.138) 2.145 6.722 ( 1.818 0.000 -0.325) 1.847 6.894 ( 0.161 0.000 -5.321) 5.324 7.036 ( 9.762 0.000 -5.910) 11.411 7.059 ( 0.414 0.000 0.550) 0.688 7.157 ( 0.309 0.000 -1.676) 1.705 8.442 ( 7.538 0.000 2.286) 7.877 8.584 ( -4.033 0.000 7.844) 8.820 8.892 ( -3.880 0.000 -4.917) 6.264 9.078 ( -4.354 0.000 -3.893) 5.841 9.415 ( 9.087 0.000 1.515) 9.212 9.764 ( -8.693 0.000 -4.122) 9.621 9.922 ( -4.562 0.000 -1.160) 4.707 9.924 ( 2.779 0.000 0.110) 2.781 10.081 ( 3.563 0.000 4.125) 5.451 10.292 ( -32.978 0.000 -3.514) 33.165 10.576 ( 5.493 0.000 4.991) 7.422 10.785 ( 0.860 0.000 7.055) 7.107 11.212 ( 1.076 0.000 -11.084) 11.136 11.349 ( -0.403 0.000 -6.173) 6.186 11.370 ( -2.377 0.000 1.619) 2.876 11.461 ( 2.257 0.000 -0.430) 2.298 11.613 ( 6.512 0.000 6.711) 9.352 11.907 ( -0.868 0.000 -3.225) 3.340 12.206 ( -1.753 0.000 4.025) 4.390 12.338 ( 13.412 0.000 0.120) 13.412 19.207 ( -1.397 0.000 3.238) 3.527 19.511 ( 1.788 0.000 -3.668) 4.081 20.125 ( 3.808 0.000 0.571) 3.851 20.133 ( -40.570 0.000 0.419) 40.572 20.438 ( 0.723 0.000 0.761) 1.050 20.589 ( -0.699 0.000 -2.790) 2.876 20.830 ( 0.354 0.000 1.589) 1.627 20.922 ( 4.579 0.000 -0.667) 4.627 21.466 ( -0.471 0.000 2.071) 2.124 21.701 ( 1.605 0.000 -4.256) 4.549 21.948 ( -6.791 0.000 3.710) 7.738 22.120 ( 38.019 0.000 -1.341) 38.043 22.599 ( 1.023 0.000 0.718) 1.250 22.649 ( -0.846 0.000 -0.523) 0.995 23.009 ( 0.072 0.000 2.038) 2.039 23.177 ( 4.225 0.000 -1.775) 4.582 ======================= Grid point 78 (26/104) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 17.301 0.000 15.419) 23.175 0.873 ( 11.022 0.000 21.533) 24.191 1.716 ( 16.973 0.000 41.779) 45.095 1.773 ( 15.044 0.000 -12.240) 19.394 1.894 ( 6.103 0.000 -16.923) 17.990 2.537 ( -4.764 0.000 10.366) 11.408 2.732 ( -4.959 0.000 3.568) 6.110 2.808 ( 4.256 0.000 7.211) 8.373 2.864 ( 1.422 0.000 -0.517) 1.513 2.889 ( -0.879 0.000 1.122) 1.425 3.112 ( -1.849 0.000 0.074) 1.850 3.121 ( -1.684 0.000 -0.214) 1.698 3.169 ( -4.172 0.000 -0.195) 4.176 3.319 ( -2.504 0.000 0.209) 2.513 3.346 ( -2.564 0.000 2.342) 3.473 3.504 ( -7.870 0.000 -1.627) 8.036 3.679 ( -9.235 0.000 -1.834) 9.415 3.737 ( -4.894 0.000 -14.349) 15.161 3.743 ( 1.420 0.000 -4.219) 4.452 3.825 ( 1.837 0.000 -1.041) 2.111 3.900 ( -3.420 0.000 0.150) 3.423 4.004 ( -2.799 0.000 -5.632) 6.289 4.061 ( -0.024 0.000 5.347) 5.347 4.404 ( 1.940 0.000 -6.016) 6.321 4.424 ( 12.536 0.000 -6.957) 14.337 4.432 ( -8.375 0.000 1.834) 8.573 4.460 ( 17.042 0.000 2.757) 17.263 4.801 ( 4.202 0.000 -8.433) 9.422 4.828 ( -2.495 0.000 5.315) 5.872 4.966 ( -6.882 0.000 0.799) 6.928 5.033 ( -1.930 0.000 -6.619) 6.895 5.246 ( -2.450 0.000 -2.008) 3.168 5.461 ( -4.248 0.000 3.428) 5.459 5.609 ( -1.480 0.000 0.297) 1.509 5.783 ( 8.379 0.000 0.130) 8.380 5.816 ( -1.470 0.000 -1.533) 2.124 6.000 ( -2.754 0.000 4.444) 5.228 6.051 ( -1.036 0.000 1.267) 1.637 6.106 ( -0.214 0.000 1.415) 1.431 6.113 ( -3.330 0.000 9.495) 10.062 6.210 ( 2.975 0.000 4.581) 5.462 6.378 ( 3.834 0.000 -0.421) 3.857 6.540 ( 3.698 0.000 5.778) 6.860 6.740 ( 2.365 0.000 -3.706) 4.396 6.882 ( 4.834 0.000 -6.916) 8.438 7.017 ( -3.878 0.000 -7.990) 8.881 7.081 ( 1.429 0.000 1.398) 1.999 7.133 ( 0.598 0.000 -2.571) 2.640 8.558 ( -2.704 0.000 7.124) 7.620 8.627 ( 4.241 0.000 7.304) 8.446 8.715 ( -8.955 0.000 -8.320) 12.223 8.949 ( -5.302 0.000 -5.681) 7.771 9.550 ( -9.180 0.000 -5.356) 10.628 9.559 ( 3.262 0.000 4.042) 5.194 9.818 ( -17.213 0.000 7.323) 18.706 9.881 ( 0.185 0.000 1.860) 1.869 10.118 ( 10.602 0.000 -3.894) 11.295 10.190 ( 4.165 0.000 3.910) 5.713 10.709 ( 2.512 0.000 8.938) 9.284 10.845 ( -0.807 0.000 1.427) 1.639 11.158 ( 3.482 0.000 -6.702) 7.552 11.324 ( 4.259 0.000 -7.841) 8.923 11.400 ( 5.149 0.000 0.773) 5.207 11.527 ( 4.428 0.000 0.723) 4.486 11.729 ( 2.290 0.000 5.222) 5.702 11.842 ( -2.456 0.000 -5.369) 5.904 12.188 ( -3.866 0.000 3.489) 5.208 12.451 ( 3.477 0.000 -2.398) 4.223 19.218 ( -0.812 0.000 3.450) 3.544 19.515 ( 2.380 0.000 -3.779) 4.466 19.764 ( -12.509 0.000 8.855) 15.326 20.226 ( 4.340 0.000 3.934) 5.857 20.474 ( 3.006 0.000 0.987) 3.164 20.482 ( -6.522 0.000 -2.849) 7.117 20.924 ( 7.615 0.000 1.703) 7.803 21.008 ( 5.035 0.000 -3.105) 5.915 21.454 ( -3.281 0.000 2.500) 4.125 21.683 ( 1.342 0.000 -4.914) 5.094 21.833 ( -8.186 0.000 -0.181) 8.188 22.407 ( 7.357 0.000 -6.685) 9.941 22.637 ( 0.332 0.000 -1.045) 1.096 22.654 ( 3.900 0.000 0.875) 3.997 23.020 ( -1.128 0.000 2.439) 2.688 23.221 ( 3.353 0.000 -5.764) 6.669 ======================= Grid point 79 (27/104) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 18.116 0.000 8.452) 19.991 1.247 ( 13.067 0.000 15.109) 19.976 1.909 ( 11.856 0.000 -14.034) 18.372 1.934 ( 13.978 0.000 -16.132) 21.345 2.269 ( 11.363 0.000 21.215) 24.067 2.427 ( -16.052 0.000 10.160) 18.997 2.664 ( -2.486 0.000 -0.301) 2.504 2.837 ( -7.453 0.000 -6.052) 9.601 2.845 ( -2.211 0.000 3.180) 3.873 2.930 ( 1.946 0.000 1.705) 2.587 3.059 ( -2.568 0.000 2.394) 3.511 3.083 ( -2.978 0.000 -0.729) 3.066 3.128 ( -2.137 0.000 2.590) 3.358 3.283 ( -5.054 0.000 5.604) 7.546 3.318 ( -2.513 0.000 3.387) 4.218 3.364 ( -6.038 0.000 -2.523) 6.544 3.546 ( -4.895 0.000 5.237) 7.169 3.628 ( 7.114 0.000 -12.610) 14.478 3.692 ( -0.916 0.000 -5.836) 5.907 3.835 ( -0.090 0.000 -3.809) 3.810 3.868 ( -5.103 0.000 -3.621) 6.257 3.891 ( -0.367 0.000 2.738) 2.762 4.161 ( 2.623 0.000 10.257) 10.587 4.340 ( -3.055 0.000 -0.628) 3.119 4.342 ( -4.492 0.000 -4.562) 6.402 4.509 ( 4.332 0.000 -5.979) 7.383 4.743 ( 8.094 0.000 -3.212) 8.708 4.767 ( -10.354 0.000 8.321) 13.283 4.852 ( 11.374 0.000 -6.385) 13.043 4.904 ( -0.495 0.000 -0.182) 0.527 5.028 ( 5.181 0.000 0.353) 5.193 5.249 ( 7.494 0.000 0.331) 7.501 5.428 ( -0.949 0.000 1.086) 1.442 5.610 ( 1.686 0.000 0.067) 1.687 5.777 ( -0.639 0.000 -1.261) 1.414 5.890 ( 3.504 0.000 -0.354) 3.521 5.988 ( -2.386 0.000 1.861) 3.026 6.073 ( 2.407 0.000 0.199) 2.415 6.101 ( -7.592 0.000 7.435) 10.627 6.132 ( 1.570 0.000 -0.133) 1.576 6.290 ( 2.650 0.000 2.487) 3.634 6.334 ( -5.676 0.000 0.953) 5.756 6.674 ( 4.013 0.000 3.217) 5.143 6.725 ( 0.208 0.000 -5.122) 5.126 6.847 ( -7.571 0.000 -3.680) 8.418 6.945 ( 9.115 0.000 -6.590) 11.248 7.139 ( 3.390 0.000 2.845) 4.426 7.148 ( 2.968 0.000 -1.829) 3.486 8.474 ( -9.929 0.000 -8.125) 12.830 8.556 ( -5.414 0.000 10.060) 11.424 8.733 ( 0.798 0.000 2.762) 2.875 8.815 ( -4.420 0.000 -5.280) 6.886 9.356 ( -6.491 0.000 -5.375) 8.428 9.568 ( -3.733 0.000 -0.015) 3.733 9.689 ( -6.157 0.000 6.196) 8.735 9.952 ( 1.793 0.000 7.742) 7.947 10.276 ( 10.672 0.000 -2.755) 11.022 10.297 ( 5.913 0.000 2.322) 6.352 10.783 ( -1.033 0.000 -8.379) 8.442 10.808 ( -0.246 0.000 9.055) 9.058 11.212 ( 3.312 0.000 2.258) 4.008 11.343 ( 5.597 0.000 -7.759) 9.567 11.534 ( 7.204 0.000 0.524) 7.223 11.598 ( 0.887 0.000 3.400) 3.514 11.739 ( -2.375 0.000 -6.836) 7.237 11.819 ( 5.227 0.000 2.544) 5.813 12.149 ( -3.453 0.000 3.271) 4.756 12.464 ( 0.717 0.000 -2.095) 2.214 19.236 ( -0.762 0.000 3.787) 3.863 19.526 ( 2.703 0.000 -3.956) 4.791 19.700 ( -3.958 0.000 5.340) 6.647 20.199 ( -10.256 0.000 0.680) 10.278 20.476 ( 7.613 0.000 0.680) 7.643 20.558 ( 5.753 0.000 0.774) 5.805 21.051 ( 3.210 0.000 -2.590) 4.125 21.086 ( 7.522 0.000 3.889) 8.468 21.399 ( -5.631 0.000 2.606) 6.205 21.649 ( -6.156 0.000 -0.809) 6.209 21.705 ( 1.197 0.000 -6.309) 6.422 22.426 ( 1.563 0.000 -3.589) 3.914 22.644 ( 1.484 0.000 -1.067) 1.828 22.728 ( 3.508 0.000 1.153) 3.692 23.012 ( -2.328 0.000 2.469) 3.393 23.197 ( 0.209 0.000 -5.772) 5.776 ======================= Grid point 80 (28/104) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 14.006 0.000 2.415) 14.213 1.555 ( 9.351 0.000 9.981) 13.677 1.866 ( -5.061 0.000 -14.365) 15.230 2.043 ( 15.059 0.000 -10.208) 18.193 2.272 ( -8.449 0.000 3.015) 8.971 2.379 ( -4.873 0.000 -2.133) 5.320 2.578 ( -9.745 0.000 -12.141) 15.568 2.677 ( 1.667 0.000 6.322) 6.538 2.856 ( -1.811 0.000 -0.076) 1.812 2.940 ( -4.120 0.000 2.934) 5.058 3.005 ( -1.389 0.000 1.815) 2.286 3.025 ( -4.497 0.000 0.278) 4.505 3.105 ( -4.249 0.000 5.150) 6.677 3.231 ( -6.478 0.000 0.411) 6.491 3.281 ( -4.200 0.000 9.969) 10.817 3.383 ( 5.265 0.000 -1.315) 5.427 3.537 ( -4.738 0.000 6.067) 7.698 3.670 ( 0.383 0.000 -9.521) 9.529 3.676 ( -0.853 0.000 8.949) 8.990 3.751 ( 8.663 0.000 -7.466) 11.437 3.870 ( 3.108 0.000 -0.933) 3.245 3.905 ( -3.667 0.000 4.681) 5.946 4.190 ( -8.966 0.000 -0.210) 8.969 4.292 ( 0.539 0.000 9.554) 9.569 4.327 ( 3.039 0.000 1.136) 3.245 4.504 ( -0.493 0.000 1.013) 1.126 4.709 ( -3.329 0.000 5.422) 6.362 4.842 ( 2.257 0.000 -2.037) 3.040 4.900 ( 12.162 0.000 -12.921) 17.744 4.901 ( 2.059 0.000 -1.818) 2.746 5.130 ( 2.450 0.000 4.027) 4.714 5.452 ( 3.306 0.000 -1.238) 3.530 5.524 ( 16.038 0.000 2.443) 16.223 5.667 ( 3.766 0.000 1.335) 3.996 5.773 ( 1.075 0.000 -1.038) 1.495 5.875 ( -3.535 0.000 -4.842) 5.995 5.945 ( -3.160 0.000 -3.125) 4.444 5.980 ( -7.394 0.000 1.971) 7.652 6.105 ( 0.282 0.000 -4.714) 4.723 6.118 ( 0.879 0.000 0.179) 0.897 6.289 ( -2.071 0.000 4.883) 5.304 6.391 ( 6.284 0.000 4.087) 7.497 6.666 ( -1.281 0.000 -6.738) 6.858 6.696 ( -3.504 0.000 0.967) 3.635 6.739 ( -4.717 0.000 4.179) 6.301 7.042 ( 7.391 0.000 -5.931) 9.477 7.187 ( 2.383 0.000 -0.819) 2.520 7.248 ( 5.359 0.000 4.240) 6.834 8.263 ( -6.922 0.000 -5.821) 9.044 8.521 ( -9.372 0.000 8.017) 12.333 8.705 ( -1.849 0.000 -1.562) 2.420 8.711 ( -3.473 0.000 -2.883) 4.514 9.263 ( -1.135 0.000 -2.622) 2.857 9.463 ( -6.121 0.000 -2.855) 6.754 9.677 ( -2.639 0.000 7.232) 7.698 10.040 ( 0.058 0.000 8.345) 8.345 10.438 ( 10.091 0.000 -0.734) 10.118 10.447 ( 8.435 0.000 3.403) 9.096 10.705 ( 1.902 0.000 -10.434) 10.606 10.846 ( -2.538 0.000 4.406) 5.085 11.275 ( 0.968 0.000 3.199) 3.342 11.375 ( 5.595 0.000 -7.392) 9.271 11.536 ( -2.981 0.000 -5.884) 6.596 11.599 ( -4.660 0.000 4.498) 6.477 11.727 ( 2.840 0.000 0.786) 2.947 11.961 ( 9.136 0.000 0.640) 9.158 12.145 ( -0.052 0.000 2.902) 2.902 12.439 ( -1.200 0.000 -2.988) 3.220 19.255 ( -0.991 0.000 3.929) 4.052 19.539 ( 2.915 0.000 -4.109) 5.038 19.691 ( -1.996 0.000 3.502) 4.031 20.017 ( -9.104 0.000 -1.184) 9.180 20.635 ( 8.784 0.000 1.195) 8.865 20.678 ( 7.380 0.000 0.545) 7.400 21.078 ( 2.120 0.000 -1.809) 2.787 21.206 ( 2.004 0.000 2.303) 3.052 21.310 ( -7.027 0.000 2.264) 7.383 21.506 ( -7.248 0.000 -0.668) 7.279 21.752 ( 6.438 0.000 -1.617) 6.637 22.418 ( 0.758 0.000 -2.560) 2.670 22.669 ( 2.357 0.000 -0.737) 2.470 22.793 ( 2.904 0.000 1.180) 3.135 22.984 ( -3.246 0.000 2.217) 3.931 23.141 ( -0.780 0.000 -5.451) 5.506 ======================= Grid point 81 (29/104) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -6.969 0.000 -1.663) 7.165 1.709 ( -0.137 0.000 7.061) 7.062 1.738 ( 8.983 0.000 0.165) 8.985 2.168 ( 4.136 0.000 -6.906) 8.049 2.179 ( -1.812 0.000 -1.965) 2.673 2.314 ( 6.570 0.000 -2.819) 7.149 2.386 ( 0.651 0.000 -11.749) 11.767 2.744 ( -4.319 0.000 -13.332) 14.014 2.794 ( 2.119 0.000 7.801) 8.084 2.817 ( -5.356 0.000 -3.548) 6.424 2.939 ( -5.731 0.000 3.240) 6.584 3.041 ( -6.464 0.000 -0.085) 6.465 3.043 ( -3.198 0.000 1.502) 3.533 3.158 ( -2.285 0.000 3.891) 4.512 3.266 ( -5.186 0.000 5.397) 7.484 3.412 ( -0.313 0.000 1.660) 1.689 3.562 ( 0.050 0.000 7.413) 7.414 3.594 ( 1.042 0.000 -3.973) 4.108 3.763 ( -2.482 0.000 13.501) 13.727 3.812 ( -10.012 0.000 4.711) 11.065 3.848 ( 3.584 0.000 -2.209) 4.210 3.990 ( 13.897 0.000 -4.539) 14.620 4.070 ( -6.150 0.000 3.424) 7.039 4.332 ( -0.493 0.000 2.178) 2.233 4.444 ( 2.383 0.000 7.784) 8.140 4.503 ( -2.872 0.000 4.316) 5.184 4.708 ( -2.116 0.000 3.908) 4.444 4.810 ( -0.707 0.000 -1.956) 2.080 5.008 ( 11.710 0.000 -1.350) 11.788 5.052 ( 9.865 0.000 -5.179) 11.142 5.179 ( 2.061 0.000 -0.585) 2.143 5.495 ( 3.337 0.000 -2.797) 4.354 5.610 ( -2.483 0.000 -7.013) 7.439 5.721 ( -6.234 0.000 -4.500) 7.688 5.724 ( 0.210 0.000 3.495) 3.501 5.849 ( 5.088 0.000 0.490) 5.111 5.904 ( 5.360 0.000 -2.421) 5.882 5.942 ( -0.002 0.000 -0.377) 0.377 6.076 ( 0.796 0.000 -2.945) 3.051 6.144 ( 1.327 0.000 -0.378) 1.379 6.313 ( -0.591 0.000 2.870) 2.931 6.503 ( 0.498 0.000 0.295) 0.579 6.578 ( -8.959 0.000 -2.293) 9.248 6.593 ( 1.418 0.000 -6.809) 6.955 6.749 ( 0.110 0.000 8.434) 8.435 7.102 ( 4.866 0.000 -2.694) 5.562 7.203 ( -0.560 0.000 0.656) 0.862 7.360 ( 3.165 0.000 2.060) 3.776 8.149 ( -2.007 0.000 -2.819) 3.461 8.376 ( -9.662 0.000 0.392) 9.670 8.660 ( -1.212 0.000 1.582) 1.993 8.704 ( 0.861 0.000 2.063) 2.236 9.234 ( 0.016 0.000 -2.910) 2.910 9.337 ( -4.133 0.000 -4.394) 6.032 9.706 ( -2.665 0.000 9.289) 9.663 10.095 ( -1.383 0.000 6.898) 7.035 10.590 ( 5.442 0.000 0.070) 5.442 10.618 ( 6.108 0.000 4.747) 7.736 10.686 ( 7.186 0.000 -7.966) 10.729 10.785 ( -4.589 0.000 -3.943) 6.050 11.302 ( -0.369 0.000 1.842) 1.879 11.404 ( 3.199 0.000 -3.824) 4.986 11.454 ( 1.394 0.000 -6.028) 6.187 11.527 ( -7.244 0.000 3.352) 7.982 11.771 ( -0.127 0.000 4.282) 4.284 12.120 ( 8.504 0.000 -0.276) 8.509 12.177 ( 0.644 0.000 1.611) 1.735 12.370 ( -3.085 0.000 -4.149) 5.171 19.267 ( -1.578 0.000 3.744) 4.063 19.555 ( 3.075 0.000 -4.075) 5.105 19.688 ( -1.411 0.000 2.606) 2.964 19.888 ( -4.657 0.000 -0.945) 4.752 20.783 ( 7.102 0.000 0.574) 7.126 20.808 ( 6.823 0.000 0.234) 6.827 21.093 ( 0.600 0.000 -0.342) 0.690 21.191 ( -2.920 0.000 -0.948) 3.070 21.207 ( -6.143 0.000 1.337) 6.287 21.408 ( -3.545 0.000 -1.548) 3.869 21.867 ( 4.412 0.000 4.816) 6.532 22.410 ( 0.773 0.000 -2.340) 2.465 22.709 ( 2.578 0.000 -0.113) 2.581 22.841 ( 1.314 0.000 0.776) 1.526 22.942 ( -3.484 0.000 1.688) 3.871 23.089 ( 0.388 0.000 -5.022) 5.037 ======================= Grid point 82 (30/104) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.847 0.000 5.767) 5.829 1.767 ( -0.488 0.000 8.641) 8.655 1.842 ( 0.331 0.000 2.262) 2.286 2.156 ( 2.645 0.000 -4.644) 5.344 2.173 ( 5.527 0.000 -6.449) 8.493 2.391 ( 7.400 0.000 -5.977) 9.512 2.448 ( 6.053 0.000 -0.945) 6.126 2.541 ( -0.967 0.000 -15.718) 15.748 2.716 ( -3.238 0.000 -1.284) 3.483 2.779 ( -7.267 0.000 -2.105) 7.566 2.917 ( -3.688 0.000 -0.150) 3.691 2.950 ( 0.531 0.000 5.660) 5.685 2.974 ( -0.774 0.000 -4.351) 4.419 3.162 ( -0.271 0.000 0.479) 0.550 3.234 ( -2.208 0.000 3.759) 4.360 3.414 ( -4.564 0.000 1.145) 4.705 3.611 ( 0.644 0.000 2.307) 2.395 3.650 ( 5.238 0.000 1.403) 5.422 3.697 ( -7.021 0.000 9.980) 12.202 3.817 ( -4.304 0.000 10.130) 11.007 3.864 ( 0.883 0.000 0.600) 1.068 4.045 ( -0.929 0.000 4.227) 4.328 4.199 ( 11.569 0.000 -0.568) 11.583 4.265 ( -7.394 0.000 -1.997) 7.659 4.502 ( 0.968 0.000 4.180) 4.291 4.545 ( -1.879 0.000 9.514) 9.698 4.705 ( -2.392 0.000 5.199) 5.723 4.786 ( -2.963 0.000 1.737) 3.435 5.065 ( -0.874 0.000 -5.156) 5.230 5.127 ( 0.437 0.000 -1.467) 1.530 5.231 ( 4.685 0.000 -3.536) 5.870 5.524 ( 2.980 0.000 -10.897) 11.297 5.602 ( 13.172 0.000 1.253) 13.232 5.645 ( -2.184 0.000 0.668) 2.284 5.742 ( -1.601 0.000 3.759) 4.086 5.848 ( -1.126 0.000 -3.755) 3.920 5.944 ( 0.913 0.000 -4.362) 4.456 5.995 ( -1.109 0.000 4.084) 4.232 6.068 ( 1.184 0.000 -3.128) 3.345 6.154 ( 0.348 0.000 -0.184) 0.393 6.251 ( -7.517 0.000 -2.398) 7.891 6.445 ( -1.836 0.000 -5.779) 6.064 6.448 ( 1.012 0.000 -2.829) 3.005 6.538 ( -3.511 0.000 -3.975) 5.304 6.879 ( 3.451 0.000 9.574) 10.177 7.165 ( 3.143 0.000 -0.927) 3.277 7.188 ( -1.272 0.000 0.873) 1.543 7.374 ( -1.714 0.000 -0.347) 1.749 8.141 ( 2.578 0.000 -0.364) 2.604 8.245 ( -3.684 0.000 -3.331) 4.967 8.704 ( 2.284 0.000 5.620) 6.066 8.753 ( 1.606 0.000 4.019) 4.329 9.209 ( 0.641 0.000 -3.966) 4.017 9.262 ( 0.651 0.000 -5.629) 5.667 9.744 ( -3.079 0.000 11.275) 11.688 10.112 ( -3.270 0.000 6.413) 7.198 10.595 ( -0.057 0.000 -4.089) 4.089 10.611 ( -6.338 0.000 -6.274) 8.918 10.729 ( 0.608 0.000 -0.309) 0.682 10.826 ( 9.677 0.000 0.633) 9.698 11.282 ( -3.637 0.000 -0.340) 3.653 11.429 ( 2.866 0.000 0.004) 2.866 11.434 ( -4.598 0.000 1.028) 4.712 11.491 ( 6.870 0.000 -4.802) 8.381 11.808 ( -1.099 0.000 7.220) 7.303 12.174 ( -2.034 0.000 0.057) 2.035 12.193 ( -2.299 0.000 -2.123) 3.129 12.304 ( 2.945 0.000 -4.155) 5.093 19.265 ( -2.275 0.000 3.343) 4.044 19.572 ( 2.658 0.000 -3.780) 4.620 19.688 ( -1.060 0.000 2.416) 2.639 19.843 ( 0.128 0.000 -0.652) 0.665 20.851 ( -0.750 0.000 0.052) 0.752 20.879 ( -0.189 0.000 -0.352) 0.400 21.088 ( -0.782 0.000 1.861) 2.018 21.163 ( 0.668 0.000 0.170) 0.689 21.163 ( 1.639 0.000 0.032) 1.639 21.336 ( -1.926 0.000 -4.193) 4.614 21.965 ( 0.434 0.000 7.719) 7.731 22.404 ( 0.972 0.000 -2.657) 2.830 22.750 ( 1.389 0.000 1.124) 1.787 22.840 ( -1.554 0.000 -0.638) 1.680 22.900 ( -2.278 0.000 0.555) 2.344 23.081 ( 3.341 0.000 -3.859) 5.105 ======================= Grid point 83 (31/104) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -6.299 0.000 1.123) 6.398 1.690 ( -15.398 0.000 -6.620) 16.761 1.779 ( -0.826 0.000 6.853) 6.903 2.245 ( 11.759 0.000 -5.771) 13.099 2.250 ( 7.865 0.000 -6.789) 10.390 2.398 ( -7.903 0.000 1.495) 8.044 2.488 ( 1.643 0.000 2.801) 3.247 2.565 ( 8.988 0.000 -2.453) 9.317 2.606 ( -1.523 0.000 -7.228) 7.387 2.708 ( 3.047 0.000 -4.340) 5.303 2.919 ( 2.946 0.000 -0.984) 3.106 2.983 ( 6.704 0.000 -4.182) 7.902 3.036 ( 3.114 0.000 6.698) 7.386 3.162 ( 1.298 0.000 -2.389) 2.719 3.263 ( -0.506 0.000 7.875) 7.891 3.267 ( -7.359 0.000 -4.331) 8.539 3.635 ( -0.286 0.000 1.563) 1.589 3.688 ( -5.540 0.000 8.695) 10.310 3.719 ( 3.008 0.000 -2.021) 3.624 3.819 ( -5.060 0.000 6.488) 8.227 3.949 ( 2.142 0.000 9.187) 9.434 4.096 ( 3.247 0.000 2.151) 3.895 4.115 ( -2.723 0.000 -5.027) 5.717 4.346 ( 2.862 0.000 7.104) 7.659 4.530 ( -5.159 0.000 5.376) 7.451 4.570 ( -3.020 0.000 9.062) 9.552 4.724 ( -2.367 0.000 -2.900) 3.743 4.736 ( -0.595 0.000 9.121) 9.141 5.034 ( 3.130 0.000 -5.555) 6.376 5.100 ( -1.829 0.000 3.360) 3.826 5.236 ( -0.890 0.000 -3.038) 3.166 5.491 ( 3.991 0.000 -15.896) 16.390 5.599 ( -4.987 0.000 1.907) 5.340 5.719 ( -8.279 0.000 -7.552) 11.206 5.723 ( -4.181 0.000 -0.166) 4.185 5.850 ( 9.211 0.000 0.725) 9.239 5.859 ( -3.718 0.000 -3.873) 5.369 5.923 ( -7.780 0.000 5.946) 9.792 6.067 ( 1.850 0.000 -3.545) 3.999 6.186 ( 1.398 0.000 1.158) 1.815 6.197 ( 5.256 0.000 3.511) 6.321 6.327 ( -6.728 0.000 -6.461) 9.328 6.458 ( 1.442 0.000 -5.908) 6.081 6.528 ( 7.301 0.000 -1.544) 7.462 6.982 ( -1.890 0.000 10.839) 11.002 7.156 ( -1.438 0.000 -3.775) 4.039 7.193 ( 1.523 0.000 -0.694) 1.674 7.333 ( -3.527 0.000 1.332) 3.770 8.188 ( 1.042 0.000 -5.436) 5.535 8.236 ( 8.020 0.000 1.773) 8.214 8.812 ( 3.934 0.000 5.899) 7.091 8.820 ( 1.421 0.000 4.334) 4.561 9.196 ( 2.548 0.000 -4.036) 4.773 9.256 ( 4.456 0.000 -7.125) 8.404 9.800 ( -3.071 0.000 13.998) 14.331 10.098 ( -5.166 0.000 7.301) 8.944 10.446 ( -4.682 0.000 -8.098) 9.354 10.547 ( -2.196 0.000 -2.001) 2.971 10.678 ( -4.602 0.000 -3.053) 5.522 10.995 ( 7.466 0.000 4.091) 8.514 11.156 ( -7.970 0.000 -4.183) 9.001 11.404 ( 0.684 0.000 -1.767) 1.894 11.473 ( 1.893 0.000 -1.532) 2.435 11.594 ( 7.429 0.000 -0.796) 7.472 11.868 ( -0.301 0.000 9.639) 9.644 12.058 ( -8.033 0.000 -3.488) 8.757 12.108 ( -4.866 0.000 -1.260) 5.027 12.348 ( 4.043 0.000 -4.112) 5.767 19.249 ( -2.627 0.000 3.061) 4.033 19.576 ( 1.342 0.000 -3.341) 3.601 19.694 ( -0.929 0.000 3.057) 3.195 19.879 ( 4.919 0.000 -1.457) 5.130 20.772 ( -7.421 0.000 0.526) 7.440 20.798 ( -7.253 0.000 -0.187) 7.255 21.117 ( 1.626 0.000 1.015) 1.917 21.174 ( -2.664 0.000 -2.069) 3.373 21.213 ( 3.792 0.000 1.676) 4.146 21.336 ( 7.451 0.000 -2.588) 7.888 22.016 ( -2.629 0.000 8.709) 9.097 22.395 ( 1.196 0.000 -3.883) 4.063 22.764 ( -1.974 0.000 2.878) 3.490 22.786 ( -3.022 0.000 -1.945) 3.594 22.886 ( 1.139 0.000 -1.087) 1.574 23.125 ( 4.876 0.000 -3.188) 5.826 ======================= Grid point 84 (32/104) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -21.055 0.000 -10.278) 23.430 1.386 ( -22.348 0.000 2.380) 22.475 1.899 ( 9.480 0.000 -4.655) 10.562 2.187 ( -21.892 0.000 4.177) 22.287 2.265 ( 0.240 0.000 -4.863) 4.869 2.370 ( 4.843 0.000 -2.142) 5.295 2.386 ( -3.919 0.000 -3.649) 5.355 2.672 ( -0.411 0.000 -8.511) 8.521 2.720 ( 8.076 0.000 -2.258) 8.385 2.729 ( 8.988 0.000 3.363) 9.597 2.986 ( 5.906 0.000 -0.996) 5.990 3.095 ( 6.596 0.000 -1.479) 6.760 3.136 ( 0.149 0.000 -3.679) 3.682 3.141 ( 3.079 0.000 3.562) 4.708 3.248 ( 8.904 0.000 0.895) 8.949 3.346 ( 0.680 0.000 10.433) 10.455 3.616 ( 0.624 0.000 -3.695) 3.747 3.684 ( -1.309 0.000 5.721) 5.869 3.756 ( 1.916 0.000 -1.113) 2.216 3.765 ( -5.299 0.000 7.043) 8.813 3.990 ( -4.976 0.000 7.013) 8.599 4.111 ( 2.242 0.000 -2.570) 3.410 4.113 ( -2.677 0.000 0.149) 2.681 4.462 ( -6.699 0.000 5.973) 8.975 4.515 ( 3.622 0.000 11.294) 11.860 4.583 ( -1.349 0.000 3.823) 4.054 4.716 ( 8.766 0.000 -4.214) 9.726 4.840 ( 0.405 0.000 13.701) 13.707 5.037 ( 1.227 0.000 -4.782) 4.937 5.124 ( -2.378 0.000 7.863) 8.215 5.134 ( -6.978 0.000 -9.026) 11.409 5.302 ( -6.211 0.000 -9.750) 11.560 5.522 ( -4.905 0.000 2.420) 5.470 5.594 ( -0.363 0.000 -6.289) 6.299 5.630 ( -1.202 0.000 -4.611) 4.765 5.824 ( -0.328 0.000 0.878) 0.937 5.864 ( -4.050 0.000 3.696) 5.483 5.910 ( 0.884 0.000 -1.360) 1.623 6.054 ( -1.162 0.000 -3.190) 3.395 6.122 ( -8.054 0.000 -7.177) 10.788 6.257 ( 4.266 0.000 2.055) 4.735 6.292 ( -0.492 0.000 0.740) 0.888 6.570 ( 15.350 0.000 -1.874) 15.464 6.604 ( 2.592 0.000 -2.131) 3.356 7.010 ( -4.112 0.000 7.491) 8.545 7.089 ( -2.232 0.000 -3.099) 3.819 7.208 ( 0.040 0.000 0.410) 0.412 7.253 ( -6.800 0.000 0.412) 6.813 8.176 ( 3.341 0.000 -6.167) 7.014 8.440 ( 12.474 0.000 3.527) 12.963 8.842 ( -2.408 0.000 1.030) 2.619 8.936 ( 5.209 0.000 4.767) 7.062 9.261 ( 8.085 0.000 -0.887) 8.133 9.270 ( 4.761 0.000 -8.771) 9.979 9.887 ( -2.641 0.000 18.257) 18.447 10.062 ( -6.522 0.000 7.557) 9.982 10.325 ( -2.373 0.000 -5.762) 6.232 10.493 ( -3.943 0.000 1.509) 4.222 10.543 ( -5.607 0.000 -6.241) 8.390 10.953 ( -9.582 0.000 -6.472) 11.563 11.155 ( 7.163 0.000 2.968) 7.754 11.406 ( 2.035 0.000 -3.587) 4.125 11.466 ( -0.537 0.000 -2.102) 2.169 11.685 ( 1.216 0.000 1.802) 2.174 11.887 ( -8.502 0.000 -2.685) 8.916 11.951 ( -0.898 0.000 7.171) 7.227 12.017 ( -1.784 0.000 -0.221) 1.797 12.353 ( 1.429 0.000 -5.790) 5.964 19.231 ( -2.533 0.000 3.103) 4.005 19.561 ( 0.389 0.000 -3.200) 3.224 19.714 ( -0.710 0.000 5.418) 5.465 19.972 ( 7.728 0.000 -3.381) 8.435 20.639 ( -8.362 0.000 1.638) 8.521 20.664 ( -7.705 0.000 -0.036) 7.705 21.080 ( -4.708 0.000 -2.723) 5.438 21.149 ( 0.785 0.000 1.836) 1.997 21.302 ( 4.244 0.000 2.222) 4.791 21.477 ( 9.685 0.000 -1.798) 9.850 22.032 ( -4.361 0.000 9.092) 10.084 22.369 ( 1.140 0.000 -7.625) 7.709 22.712 ( -3.303 0.000 -2.345) 4.050 22.739 ( -3.316 0.000 2.743) 4.304 22.912 ( 2.545 0.000 -0.872) 2.690 23.181 ( 4.823 0.000 -3.843) 6.167 ======================= Grid point 85 (33/104) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -23.570 0.000 -4.045) 23.914 0.988 ( -26.879 0.000 5.682) 27.473 1.681 ( -40.707 0.000 8.028) 41.491 1.961 ( 3.968 0.000 -8.729) 9.589 2.223 ( -0.029 0.000 -5.944) 5.944 2.280 ( -4.589 0.000 -0.882) 4.673 2.466 ( 6.462 0.000 0.542) 6.485 2.585 ( -2.650 0.000 -2.935) 3.954 2.787 ( 4.738 0.000 -4.097) 6.264 2.893 ( 5.733 0.000 4.974) 7.590 3.057 ( 1.920 0.000 -1.816) 2.643 3.138 ( 1.936 0.000 -0.185) 1.945 3.194 ( 6.132 0.000 -1.964) 6.439 3.247 ( 6.765 0.000 4.338) 8.036 3.424 ( -2.474 0.000 7.560) 7.955 3.484 ( 14.026 0.000 2.742) 14.291 3.626 ( 1.831 0.000 -2.843) 3.382 3.710 ( -4.410 0.000 0.490) 4.437 3.731 ( 2.344 0.000 4.176) 4.789 3.792 ( 0.765 0.000 7.506) 7.545 3.971 ( -1.505 0.000 -1.809) 2.353 4.073 ( -3.438 0.000 -3.097) 4.628 4.076 ( 0.342 0.000 -1.631) 1.666 4.426 ( -4.208 0.000 6.658) 7.877 4.464 ( -7.129 0.000 -3.462) 7.925 4.617 ( 3.906 0.000 -1.221) 4.092 4.885 ( -8.448 0.000 -9.751) 12.902 4.924 ( 0.072 0.000 -0.807) 0.810 4.963 ( 0.003 0.000 12.467) 12.467 5.094 ( 14.104 0.000 5.901) 15.289 5.129 ( -5.494 0.000 11.131) 12.413 5.234 ( 2.450 0.000 -1.730) 3.000 5.499 ( -1.440 0.000 -8.873) 8.989 5.509 ( -0.913 0.000 5.275) 5.353 5.653 ( 4.333 0.000 -1.987) 4.767 5.825 ( -10.802 0.000 -12.253) 16.335 5.837 ( 0.938 0.000 1.887) 2.107 5.855 ( -0.216 0.000 3.127) 3.135 5.935 ( 2.964 0.000 -2.277) 3.738 6.064 ( -0.392 0.000 0.126) 0.412 6.265 ( -2.360 0.000 2.204) 3.229 6.346 ( 4.118 0.000 0.623) 4.165 6.572 ( -4.060 0.000 -1.920) 4.491 6.799 ( 11.781 0.000 -5.636) 13.060 6.965 ( -5.939 0.000 3.043) 6.673 7.028 ( -2.413 0.000 -2.509) 3.481 7.130 ( -6.231 0.000 -0.616) 6.261 7.200 ( -1.876 0.000 1.473) 2.385 8.205 ( 5.831 0.000 -4.555) 7.400 8.695 ( 12.387 0.000 4.053) 13.034 8.763 ( -5.867 0.000 -1.517) 6.060 9.069 ( 5.234 0.000 4.479) 6.889 9.262 ( 3.989 0.000 -10.130) 10.887 9.442 ( 11.993 0.000 1.025) 12.037 10.009 ( -5.378 0.000 4.594) 7.073 10.049 ( 0.798 0.000 25.536) 25.548 10.235 ( -6.278 0.000 -1.388) 6.430 10.410 ( -9.601 0.000 2.198) 9.849 10.426 ( 0.674 0.000 -6.880) 6.913 10.754 ( -4.741 0.000 -6.256) 7.850 11.280 ( 5.375 0.000 -0.571) 5.405 11.419 ( 3.006 0.000 -2.403) 3.848 11.430 ( -1.613 0.000 -1.499) 2.202 11.633 ( -8.628 0.000 2.010) 8.859 11.727 ( -7.923 0.000 -1.542) 8.072 11.935 ( 0.074 0.000 -1.177) 1.179 12.091 ( 2.795 0.000 6.060) 6.673 12.294 ( -1.457 0.000 -8.218) 8.346 19.218 ( -2.234 0.000 3.290) 3.977 19.538 ( 0.341 0.000 -3.354) 3.372 19.789 ( 1.835 0.000 12.756) 12.887 20.059 ( 6.008 0.000 -5.094) 7.877 20.544 ( -6.093 0.000 0.172) 6.095 20.544 ( -3.770 0.000 2.434) 4.487 20.978 ( -5.108 0.000 -1.443) 5.308 21.186 ( 0.981 0.000 4.118) 4.233 21.389 ( 3.225 0.000 2.745) 4.235 21.611 ( 7.752 0.000 -2.682) 8.203 22.027 ( -5.126 0.000 8.775) 10.162 22.265 ( -1.933 0.000 -19.424) 19.520 22.641 ( -2.734 0.000 -1.502) 3.120 22.705 ( -2.828 0.000 1.688) 3.294 22.950 ( 2.084 0.000 0.168) 2.091 23.213 ( 3.231 0.000 -5.638) 6.498 ======================= Grid point 86 (34/104) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -16.105 0.000 21.274) 26.683 0.621 ( -24.365 0.000 16.559) 29.459 1.062 ( -42.078 0.000 25.620) 49.264 1.876 ( -2.609 0.000 -13.215) 13.470 2.127 ( -0.940 0.000 -14.290) 14.321 2.255 ( -0.643 0.000 9.926) 9.947 2.598 ( 0.501 0.000 10.518) 10.530 2.602 ( 7.924 0.000 0.456) 7.937 2.834 ( 2.837 0.000 -0.631) 2.906 3.004 ( 2.593 0.000 0.482) 2.637 3.042 ( -0.375 0.000 0.518) 0.640 3.161 ( 0.293 0.000 -0.257) 0.390 3.271 ( 4.606 0.000 -1.667) 4.899 3.332 ( -6.870 0.000 5.292) 8.672 3.420 ( -1.007 0.000 6.085) 6.168 3.589 ( -0.136 0.000 -3.602) 3.605 3.715 ( 7.925 0.000 0.790) 7.964 3.718 ( 5.529 0.000 -1.776) 5.807 3.828 ( 3.799 0.000 -1.115) 3.959 3.908 ( 0.911 0.000 -5.371) 5.448 3.913 ( 6.486 0.000 9.806) 11.757 3.981 ( -2.596 0.000 -1.945) 3.243 4.045 ( -1.888 0.000 -4.722) 5.086 4.367 ( -2.464 0.000 0.467) 2.508 4.405 ( -5.125 0.000 2.773) 5.828 4.647 ( -5.640 0.000 -16.759) 17.683 4.693 ( 6.014 0.000 0.685) 6.052 4.862 ( -1.171 0.000 -5.883) 5.998 5.025 ( -0.885 0.000 4.794) 4.875 5.159 ( -7.355 0.000 2.923) 7.914 5.189 ( -0.116 0.000 -1.845) 1.849 5.398 ( -1.992 0.000 -6.494) 6.793 5.461 ( -10.528 0.000 -14.105) 17.601 5.506 ( 13.724 0.000 10.588) 17.334 5.546 ( -2.393 0.000 5.351) 5.862 5.685 ( 0.230 0.000 -0.067) 0.239 5.887 ( 0.533 0.000 5.823) 5.847 5.956 ( 10.152 0.000 1.733) 10.299 6.018 ( 5.285 0.000 -0.251) 5.291 6.075 ( 0.338 0.000 3.665) 3.681 6.295 ( 1.515 0.000 6.653) 6.824 6.352 ( -5.327 0.000 -2.798) 6.017 6.482 ( -2.446 0.000 1.220) 2.733 6.764 ( -6.062 0.000 -8.030) 10.062 6.935 ( 1.085 0.000 -1.147) 1.579 6.957 ( -2.458 0.000 -3.773) 4.503 7.061 ( -1.444 0.000 -0.079) 1.447 7.173 ( -1.871 0.000 0.570) 1.956 8.303 ( 8.300 0.000 -1.351) 8.410 8.639 ( -7.045 0.000 0.607) 7.071 8.891 ( 6.033 0.000 1.609) 6.244 9.147 ( -1.567 0.000 2.102) 2.622 9.274 ( 8.819 0.000 -7.774) 11.756 9.661 ( 12.558 0.000 -0.265) 12.560 9.980 ( -1.241 0.000 2.026) 2.376 10.089 ( -7.580 0.000 -0.794) 7.621 10.164 ( -16.533 0.000 -4.204) 17.059 10.406 ( 14.927 0.000 19.288) 24.389 10.457 ( 5.569 0.000 -0.696) 5.612 10.741 ( 1.617 0.000 8.425) 8.579 11.312 ( 2.027 0.000 -8.531) 8.769 11.390 ( -1.322 0.000 -1.660) 2.122 11.460 ( 2.272 0.000 0.608) 2.352 11.478 ( -9.294 0.000 0.483) 9.307 11.564 ( -9.741 0.000 -4.600) 10.773 11.931 ( 0.431 0.000 -1.839) 1.889 12.174 ( 0.971 0.000 4.946) 5.041 12.175 ( -3.240 0.000 -1.827) 3.719 19.210 ( -1.996 0.000 3.188) 3.762 19.519 ( 0.969 0.000 -3.546) 3.676 20.088 ( 2.477 0.000 -3.214) 4.058 20.109 ( 19.885 0.000 24.855) 31.830 20.463 ( -3.565 0.000 -0.149) 3.568 20.558 ( 3.183 0.000 0.088) 3.184 20.881 ( -5.373 0.000 0.194) 5.376 21.269 ( 2.153 0.000 0.964) 2.359 21.463 ( 1.518 0.000 4.528) 4.775 21.688 ( 4.258 0.000 -3.564) 5.553 21.814 ( -23.546 0.000 -34.414) 41.698 22.005 ( -5.575 0.000 7.025) 8.969 22.600 ( -1.143 0.000 -0.156) 1.154 22.673 ( -1.920 0.000 0.477) 1.978 22.984 ( 1.160 0.000 1.237) 1.696 23.184 ( -0.725 0.000 -4.943) 4.996 ======================= Grid point 87 (35/104) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -2.648 22.433 14.660) 26.929 0.921 ( 1.527 19.274 24.125) 30.916 1.502 ( -1.142 40.481 31.348) 51.212 1.781 ( 2.390 5.472 -12.403) 13.766 2.156 ( 2.200 9.514 -11.625) 15.182 2.426 ( 2.336 3.775 12.244) 13.024 2.674 ( 1.422 3.021 4.375) 5.504 2.744 ( 1.055 -3.856 1.753) 4.366 2.845 ( 1.266 1.392 1.237) 2.252 2.972 ( -0.974 1.717 -5.530) 5.872 3.114 ( -0.206 -6.781 1.794) 7.017 3.211 ( -2.664 -3.187 5.490) 6.885 3.300 ( -3.532 6.515 0.026) 7.411 3.361 ( -1.400 15.524 1.173) 15.631 3.425 ( -3.991 4.259 3.110) 6.613 3.590 ( 0.273 -1.399 -0.687) 1.583 3.717 ( -2.496 -0.357 -0.394) 2.552 3.744 ( 2.614 -1.599 -4.328) 5.303 3.857 ( -4.576 0.823 0.751) 4.710 3.938 ( 7.436 -4.139 1.214) 8.597 3.968 ( -2.298 0.548 -2.107) 3.165 4.018 ( 1.648 8.768 -4.758) 10.111 4.161 ( -0.143 9.266 -3.772) 10.005 4.213 ( 0.453 1.358 -4.467) 4.690 4.402 ( 0.337 5.086 -4.828) 7.021 4.503 ( -2.672 2.759 -3.774) 5.385 4.598 ( -6.349 3.930 0.637) 7.494 4.749 ( 3.962 -2.879 1.339) 5.078 4.846 ( 0.625 2.389 -2.162) 3.283 5.052 ( -3.241 0.985 0.445) 3.416 5.140 ( -1.432 0.152 -4.061) 4.309 5.280 ( -3.548 -3.770 -2.865) 5.917 5.495 ( -1.888 1.159 2.359) 3.236 5.516 ( 0.395 -2.906 3.361) 4.461 5.680 ( 7.838 -4.373 -0.165) 8.977 5.761 ( -0.459 -3.815 5.962) 7.093 5.793 ( 1.325 -8.325 3.510) 9.131 6.022 ( 3.571 -6.057 0.504) 7.050 6.067 ( -6.819 -2.777 -2.595) 7.806 6.167 ( -0.516 1.127 4.581) 4.745 6.209 ( 6.203 -0.478 3.606) 7.191 6.263 ( -5.795 -0.162 -2.609) 6.357 6.512 ( 3.166 3.417 0.668) 4.706 6.763 ( -0.749 -0.679 0.703) 1.231 6.860 ( -0.430 -0.553 -6.129) 6.169 7.073 ( 3.648 3.930 -3.397) 6.348 7.177 ( 0.193 4.333 -2.231) 4.878 7.248 ( 1.836 2.759 -6.309) 7.126 8.459 ( 6.901 1.633 1.822) 7.322 8.542 ( -3.503 -2.113 4.459) 6.052 8.978 ( -3.712 5.574 -3.982) 7.792 9.088 ( -6.223 0.345 -4.666) 7.786 9.331 ( 2.624 -7.712 6.795) 10.608 9.769 ( -2.083 -0.239 -2.114) 2.977 9.875 ( 8.198 0.255 0.990) 8.262 9.969 ( -12.088 -1.687 -0.715) 12.226 10.023 ( 2.960 -4.980 9.845) 11.423 10.304 ( -4.288 4.804 -0.376) 6.450 10.502 ( -1.452 0.929 -4.616) 4.927 10.775 ( -1.712 -1.935 5.751) 6.305 10.988 ( 2.820 -16.343 -8.465) 18.620 11.291 ( -1.884 -10.186 -3.302) 10.873 11.347 ( 0.773 -2.547 0.063) 2.663 11.428 ( 0.265 -3.113 -0.488) 3.162 11.751 ( 0.988 12.050 2.521) 12.351 11.961 ( -0.603 2.204 1.770) 2.890 12.126 ( -0.728 -4.747 3.637) 6.024 12.387 ( 6.343 2.414 -4.276) 8.022 19.216 ( -1.446 0.884 3.228) 3.646 19.489 ( -0.071 -2.647 -2.050) 3.348 19.984 ( -22.319 -8.289 12.537) 26.908 20.118 ( 3.561 -0.731 0.361) 3.653 20.429 ( 3.493 -1.043 1.427) 3.914 20.499 ( 9.425 -7.162 10.288) 15.683 20.582 ( -0.851 -0.583 -2.559) 2.759 21.027 ( -0.621 -2.644 -7.872) 8.328 21.439 ( -2.027 -2.638 5.126) 6.111 21.575 ( 6.101 -1.583 5.179) 8.158 21.862 ( 1.380 -2.975 0.149) 3.283 21.990 ( 1.357 -4.039 0.831) 4.341 22.631 ( 0.422 3.232 0.530) 3.302 22.680 ( -0.596 2.547 -0.243) 2.627 23.276 ( -0.538 10.997 -0.274) 11.013 23.792 ( 5.287 27.932 -29.827) 41.205 ======================= Grid point 88 (36/104) ======================= q-point: ( 0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 13.618 17.359 12.110) 25.167 1.214 ( 9.737 21.555 18.772) 30.196 1.816 ( 12.503 6.538 -9.676) 17.108 1.931 ( 13.552 23.919 30.157) 40.807 2.101 ( 6.643 14.493 -14.768) 21.732 2.542 ( -3.708 0.154 9.225) 9.943 2.684 ( -4.031 -1.182 3.458) 5.441 2.781 ( 2.125 -6.150 1.627) 6.708 2.882 ( 0.387 1.501 3.495) 3.824 2.929 ( -0.635 3.439 -0.884) 3.608 3.085 ( -3.560 -1.664 1.299) 4.139 3.179 ( -6.426 -5.477 2.743) 8.878 3.251 ( -1.018 6.974 0.378) 7.058 3.353 ( -1.196 9.399 1.852) 9.654 3.404 ( -0.008 6.064 -0.236) 6.069 3.502 ( -6.893 5.112 -1.050) 8.646 3.658 ( -3.249 -5.442 -4.135) 7.568 3.717 ( -4.997 4.648 -0.919) 6.887 3.796 ( -0.683 3.758 -3.790) 5.381 3.881 ( -1.475 3.493 -1.319) 4.015 3.986 ( 2.324 10.224 -8.622) 13.575 4.039 ( 1.125 2.941 -6.462) 7.189 4.171 ( 1.107 4.590 2.641) 5.410 4.244 ( 9.373 -5.461 1.038) 10.897 4.416 ( 1.724 -0.671 -5.323) 5.635 4.435 ( -4.522 -0.094 3.503) 5.721 4.526 ( 2.233 5.976 -6.758) 9.293 4.805 ( -0.002 1.020 -3.660) 3.799 4.874 ( 2.873 2.195 4.794) 6.004 4.982 ( -2.268 1.211 -0.626) 2.646 5.072 ( -3.245 4.196 -3.212) 6.201 5.211 ( -1.400 -3.239 -1.702) 3.918 5.445 ( -4.600 -1.759 -0.068) 4.925 5.515 ( -2.102 -5.076 3.215) 6.365 5.752 ( 0.612 -4.335 -0.490) 4.405 5.814 ( 2.556 -5.839 1.253) 6.496 5.855 ( 1.776 -8.240 3.808) 9.249 5.967 ( -2.435 -2.838 1.477) 4.020 6.110 ( -3.991 -0.895 -2.118) 4.606 6.114 ( 2.454 -3.478 4.003) 5.843 6.240 ( 4.234 1.329 4.620) 6.406 6.376 ( 4.352 -0.765 1.262) 4.595 6.572 ( 2.700 3.067 2.219) 4.649 6.774 ( -0.436 -0.172 1.814) 1.874 6.837 ( 5.901 -0.049 -9.125) 10.867 7.059 ( -2.548 1.023 -4.283) 5.087 7.150 ( -1.283 4.323 -2.710) 5.261 7.203 ( 0.362 5.389 -1.562) 5.622 8.491 ( -5.139 -3.712 4.173) 7.590 8.618 ( 6.295 0.190 2.682) 6.845 8.841 ( -7.167 7.901 -3.952) 11.376 8.947 ( -4.922 0.258 -3.159) 5.855 9.408 ( -2.405 -6.706 6.842) 9.878 9.659 ( -10.133 0.781 -3.627) 10.791 9.796 ( -2.262 3.145 -0.156) 3.877 10.013 ( 0.537 3.493 4.372) 5.622 10.076 ( 1.579 3.553 -0.008) 3.888 10.264 ( 4.865 3.155 0.865) 5.863 10.578 ( 4.845 -8.264 5.157) 10.879 10.711 ( -4.011 -13.031 -4.619) 14.395 11.057 ( 5.640 -8.109 -0.432) 9.887 11.260 ( 4.045 -6.862 -4.472) 9.135 11.391 ( 3.774 -2.415 0.510) 4.510 11.462 ( 3.794 -4.026 -0.667) 5.572 11.808 ( 2.233 8.393 3.240) 9.270 11.927 ( -2.546 4.428 -2.649) 5.754 12.125 ( -3.242 -4.782 3.759) 6.893 12.433 ( 2.849 -1.417 -2.510) 4.053 19.226 ( -0.848 0.778 3.432) 3.620 19.478 ( 0.597 -3.206 -1.288) 3.507 19.804 ( -8.465 3.601 6.065) 11.019 20.203 ( 3.082 -2.212 3.258) 5.001 20.443 ( -1.449 -1.327 -0.701) 2.087 20.510 ( -0.936 1.218 -1.136) 1.910 20.770 ( 10.158 -8.873 6.076) 14.793 21.032 ( 6.618 -2.381 -7.212) 10.074 21.427 ( -3.434 -1.164 3.762) 5.225 21.667 ( 2.181 -1.343 -1.221) 2.837 21.803 ( -6.455 -2.370 -1.058) 6.957 22.129 ( 9.529 -13.894 2.329) 17.007 22.661 ( 2.162 2.832 1.177) 3.752 22.676 ( 0.736 2.804 -0.713) 2.985 23.233 ( -3.939 12.655 -0.426) 13.261 23.571 ( -4.579 22.563 -15.375) 27.685 ======================= Grid point 89 (37/104) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 15.556 12.001 8.250) 21.310 1.554 ( 12.546 22.467 14.132) 29.358 1.941 ( 12.724 6.026 -14.376) 20.121 2.112 ( 10.071 11.437 -15.501) 21.737 2.361 ( 3.769 9.307 12.171) 15.778 2.446 ( -9.644 3.766 11.327) 15.346 2.654 ( -2.588 -1.160 2.080) 3.517 2.793 ( -3.911 -1.133 1.718) 4.420 2.862 ( -3.548 0.601 -2.096) 4.164 2.919 ( 1.478 -1.785 -0.641) 2.405 3.058 ( -3.530 0.550 5.147) 6.265 3.118 ( -4.613 -1.239 5.563) 7.333 3.213 ( -2.883 4.813 -2.168) 6.015 3.282 ( -5.144 1.681 -0.052) 5.412 3.379 ( -4.978 7.665 -0.296) 9.145 3.469 ( 1.274 8.769 7.049) 11.323 3.609 ( 1.867 -0.210 -3.877) 4.309 3.638 ( -3.572 9.327 3.545) 10.598 3.738 ( 1.586 5.942 -9.432) 11.260 3.878 ( 0.156 1.938 0.201) 1.955 3.936 ( -5.952 6.389 -6.293) 10.763 3.968 ( 1.842 9.065 -2.794) 9.663 4.184 ( -0.778 3.191 5.437) 6.352 4.329 ( -4.470 1.212 0.034) 4.632 4.416 ( 0.390 3.368 -1.437) 3.683 4.483 ( 0.734 -0.704 -6.523) 6.602 4.529 ( 10.794 -13.258 3.834) 17.522 4.774 ( 1.394 -2.164 -1.586) 3.024 4.894 ( -4.655 1.730 0.735) 5.020 4.954 ( 0.095 5.571 -3.674) 6.674 5.046 ( 3.087 0.856 0.616) 3.262 5.264 ( 8.121 0.816 0.543) 8.180 5.398 ( 1.186 -4.028 -0.696) 4.256 5.524 ( 1.186 -3.947 1.695) 4.456 5.736 ( -0.982 -3.695 -0.115) 3.825 5.853 ( 1.007 -8.203 0.255) 8.268 5.916 ( 1.018 -5.425 2.182) 5.936 5.962 ( -0.512 -3.431 0.615) 3.523 6.059 ( 1.758 -5.260 -1.019) 5.639 6.174 ( -1.888 0.759 4.298) 4.756 6.344 ( -1.834 0.672 -0.115) 1.956 6.375 ( 1.556 4.206 2.714) 5.242 6.630 ( 2.329 -1.128 -1.776) 3.139 6.775 ( -0.078 -0.606 -0.582) 0.844 6.831 ( -3.555 1.858 -3.119) 5.081 6.996 ( 4.231 1.979 -3.562) 5.874 7.145 ( 2.107 2.406 -0.678) 3.269 7.225 ( 2.439 5.185 -0.173) 5.733 8.407 ( -6.538 -2.438 -0.764) 7.020 8.697 ( -8.040 9.576 2.739) 12.800 8.701 ( 1.599 -1.292 -0.745) 2.186 8.870 ( -2.955 3.798 -0.931) 4.901 9.334 ( -6.562 -1.132 -2.247) 7.028 9.495 ( -8.655 -5.984 4.583) 11.477 9.780 ( 0.640 7.502 -2.875) 8.060 10.034 ( -1.731 6.317 8.333) 10.599 10.166 ( 7.487 -3.621 -1.590) 8.467 10.388 ( 7.647 1.954 0.969) 7.952 10.605 ( -0.848 -14.173 -7.203) 15.921 10.707 ( 3.486 -9.377 5.417) 11.377 11.096 ( 1.014 -12.178 -0.869) 12.251 11.344 ( 5.768 0.083 -1.282) 5.909 11.454 ( 1.963 -6.888 -0.783) 7.205 11.551 ( 6.895 -1.649 0.253) 7.094 11.841 ( -3.733 5.838 -2.577) 7.393 11.888 ( 3.821 5.793 2.668) 7.435 12.093 ( -2.981 -4.135 2.406) 5.637 12.451 ( 1.616 -1.497 -2.057) 3.014 19.244 ( -0.703 0.744 3.685) 3.824 19.486 ( 1.608 -3.230 -1.526) 3.917 19.749 ( -3.268 4.047 2.783) 5.899 20.167 ( -9.016 -2.930 0.612) 9.500 20.476 ( 7.563 0.037 0.367) 7.572 20.561 ( 5.239 0.114 0.305) 5.249 20.952 ( 5.582 -5.470 3.181) 8.438 21.111 ( 8.521 -1.616 -3.543) 9.368 21.386 ( -4.910 0.132 3.142) 5.831 21.637 ( -7.465 -1.405 0.083) 7.596 21.696 ( 1.346 -0.779 -5.478) 5.695 22.272 ( 5.564 -11.917 0.227) 13.154 22.688 ( 1.858 3.717 -1.039) 4.284 22.730 ( 3.778 1.745 1.795) 4.532 23.147 ( -5.344 12.000 -0.109) 13.137 23.398 ( -4.872 14.529 -6.764) 16.751 ======================= Grid point 90 (38/104) ======================= q-point: ( 0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 11.537 8.930 3.913) 15.105 1.847 ( 8.298 21.732 5.659) 23.941 1.917 ( -3.665 6.487 -9.972) 12.448 2.159 ( 12.276 7.795 -13.661) 19.952 2.257 ( -7.436 -0.007 2.837) 7.959 2.463 ( -5.675 7.357 -1.463) 9.406 2.579 ( -4.265 0.637 -6.379) 7.700 2.709 ( -1.801 3.576 2.809) 4.891 2.878 ( -0.978 1.536 2.041) 2.735 2.927 ( 0.465 -1.491 4.546) 4.806 3.011 ( -6.274 4.551 -1.118) 7.831 3.067 ( -1.163 -0.459 2.034) 2.388 3.153 ( -5.897 5.391 -1.365) 8.106 3.225 ( -4.254 -3.341 9.143) 10.624 3.387 ( 1.463 4.478 4.778) 6.710 3.483 ( -4.676 16.509 2.082) 17.284 3.560 ( -4.079 1.436 0.323) 4.336 3.663 ( -3.761 1.366 6.947) 8.017 3.757 ( 9.027 3.016 -8.091) 12.492 3.782 ( -2.563 8.278 -1.137) 8.740 3.907 ( 2.617 3.884 -1.184) 4.831 3.998 ( -0.547 8.372 1.577) 8.537 4.136 ( -6.621 -1.923 0.954) 6.960 4.319 ( -0.009 2.572 3.532) 4.370 4.410 ( 0.879 5.164 3.767) 6.453 4.461 ( -0.355 -2.994 0.281) 3.028 4.682 ( 2.693 -4.246 2.173) 5.478 4.786 ( 1.057 -5.014 -0.416) 5.141 4.865 ( 3.155 -0.893 -0.967) 3.419 4.970 ( 7.778 5.614 -6.916) 11.826 5.119 ( 3.449 -0.073 1.266) 3.675 5.362 ( 4.621 -4.251 -2.008) 6.592 5.522 ( 8.447 -7.414 1.157) 11.298 5.591 ( 5.500 -0.056 -0.871) 5.569 5.724 ( 0.160 -4.310 -0.566) 4.350 5.845 ( -1.224 -6.686 -2.917) 7.396 5.918 ( -1.173 -1.899 1.087) 2.483 5.949 ( -1.110 -1.645 -0.788) 2.135 6.094 ( 0.432 -2.148 -1.510) 2.661 6.159 ( -0.826 1.205 0.589) 1.575 6.267 ( -1.563 -1.790 2.137) 3.196 6.456 ( 3.665 4.326 1.060) 5.769 6.602 ( -2.461 -2.869 -4.073) 5.557 6.746 ( -4.981 2.301 2.358) 5.972 6.761 ( -1.670 1.333 1.839) 2.819 7.073 ( 6.326 1.920 -4.183) 7.824 7.180 ( 1.597 0.274 -0.640) 1.742 7.290 ( 4.385 3.343 1.817) 5.805 8.273 ( -5.844 1.369 -3.414) 6.905 8.590 ( -10.328 6.570 5.642) 13.478 8.699 ( 0.292 1.746 -0.943) 2.006 8.786 ( -4.213 4.921 -2.487) 6.939 9.243 ( -2.000 -1.162 -1.762) 2.908 9.394 ( -7.682 -6.093 3.840) 10.530 9.765 ( 0.151 7.753 -1.654) 7.928 10.086 ( -0.898 3.518 8.159) 8.931 10.303 ( 8.639 -6.051 0.665) 10.568 10.508 ( 3.828 -8.078 -3.882) 9.746 10.573 ( 5.747 -2.852 -2.503) 6.887 10.798 ( 2.585 -6.352 3.200) 7.568 11.117 ( 2.240 -14.258 -0.256) 14.435 11.362 ( -2.237 -3.069 -3.743) 5.333 11.450 ( 0.810 -2.861 -2.782) 4.072 11.644 ( 1.176 -0.015 1.216) 1.692 11.772 ( -2.089 3.908 0.554) 4.466 11.990 ( 3.842 0.714 3.604) 5.316 12.094 ( 2.580 -1.518 0.265) 3.006 12.450 ( 0.577 0.172 -2.769) 2.834 19.263 ( -0.924 0.734 3.773) 3.953 19.502 ( 1.957 -3.078 -1.931) 4.127 19.725 ( -1.627 2.930 1.267) 3.583 20.005 ( -8.247 -1.234 -1.106) 8.412 20.625 ( 8.279 -0.652 -0.262) 8.309 20.685 ( 8.237 0.063 1.960) 8.467 21.019 ( 2.316 -3.402 -1.331) 4.325 21.224 ( 3.286 -0.998 0.433) 3.462 21.316 ( -5.617 1.830 2.253) 6.322 21.497 ( -6.810 -0.462 0.074) 6.826 21.720 ( 4.492 -2.966 -1.891) 5.705 22.335 ( 2.730 -7.939 -1.323) 8.499 22.721 ( 2.921 4.561 -0.858) 5.483 22.816 ( 4.213 2.100 1.780) 5.033 23.058 ( -5.083 8.779 0.318) 10.150 23.270 ( -4.884 9.691 -4.025) 11.575 ======================= Grid point 91 (39/104) ======================= q-point: ( 0.40 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -7.044 4.968 -0.743) 8.652 1.814 ( 7.732 7.622 1.696) 10.988 1.941 ( -3.725 17.130 3.685) 17.913 2.134 ( -2.043 -0.140 -4.162) 4.639 2.309 ( 8.449 2.558 -7.969) 11.893 2.371 ( 1.968 13.940 -2.819) 14.358 2.519 ( 5.043 10.578 -5.685) 13.024 2.694 ( -1.175 -2.826 -10.352) 10.795 2.845 ( -1.288 2.551 3.169) 4.267 2.889 ( -4.750 5.539 -2.199) 7.621 2.984 ( -3.924 4.491 1.415) 6.129 3.039 ( -5.539 2.242 5.020) 7.804 3.058 ( -2.192 0.109 0.341) 2.221 3.208 ( -4.076 -3.484 2.946) 6.118 3.389 ( -6.375 18.190 4.689) 19.837 3.423 ( -1.396 0.848 0.718) 1.784 3.536 ( -1.838 0.074 6.886) 7.127 3.650 ( 0.773 4.292 2.549) 5.051 3.794 ( -2.359 2.430 7.904) 8.599 3.845 ( -1.976 1.165 0.081) 2.295 3.869 ( 0.218 4.460 -1.852) 4.834 4.051 ( 8.192 5.828 -0.573) 10.070 4.062 ( -4.401 2.115 2.777) 5.617 4.353 ( -0.670 1.363 4.397) 4.651 4.432 ( -3.292 -5.917 2.603) 7.254 4.490 ( 2.278 3.143 4.332) 5.817 4.703 ( -0.274 0.609 0.299) 0.732 4.828 ( -0.668 -0.278 4.374) 4.434 4.964 ( 9.538 -2.984 -2.255) 10.245 5.062 ( 6.730 1.751 -4.536) 8.302 5.184 ( 5.185 1.308 -1.997) 5.708 5.428 ( 4.235 -5.433 -1.018) 6.963 5.549 ( -3.368 -4.329 -7.808) 9.541 5.615 ( 1.488 -2.816 -1.857) 3.687 5.782 ( 6.325 -6.905 -0.110) 9.365 5.830 ( 2.742 -2.844 -1.471) 4.215 5.872 ( -2.965 3.155 -0.651) 4.378 5.946 ( -0.037 -0.691 1.172) 1.361 6.092 ( 0.228 -4.412 -0.831) 4.495 6.139 ( 1.837 3.137 -2.786) 4.580 6.315 ( -1.012 -1.191 3.921) 4.220 6.473 ( -4.465 -2.423 -1.407) 5.271 6.563 ( 4.054 0.382 -1.520) 4.347 6.657 ( -4.758 3.933 -3.473) 7.082 6.766 ( -0.759 1.375 4.719) 4.973 7.136 ( 3.700 0.818 -0.390) 3.809 7.176 ( -0.835 -0.584 -1.052) 1.464 7.377 ( 3.133 1.607 1.032) 3.669 8.179 ( -2.119 2.900 -1.729) 3.986 8.430 ( -9.856 5.339 0.284) 11.213 8.708 ( 0.272 4.511 1.622) 4.802 8.744 ( 0.077 3.864 1.780) 4.255 9.195 ( -2.013 -2.658 -2.155) 3.970 9.312 ( -4.255 -3.033 1.575) 5.457 9.759 ( -0.558 5.494 0.835) 5.585 10.139 ( -0.760 3.452 6.941) 7.789 10.431 ( 3.080 -10.964 -1.226) 11.454 10.504 ( 4.607 -10.038 -3.673) 11.639 10.697 ( 4.925 1.977 2.429) 5.837 10.855 ( 3.273 -1.405 -1.408) 3.830 11.160 ( 1.767 -11.168 0.723) 11.330 11.260 ( -2.384 -9.025 -5.574) 10.873 11.429 ( -0.788 -2.223 -1.891) 3.023 11.612 ( -3.726 2.760 -0.153) 4.639 11.784 ( 0.292 1.328 3.758) 3.997 12.052 ( 0.027 -6.731 2.846) 7.308 12.176 ( 5.754 2.888 -0.893) 6.500 12.424 ( -0.336 2.793 -3.475) 4.471 19.274 ( -1.499 0.713 3.569) 3.936 19.518 ( 1.900 -3.089 -2.037) 4.160 19.714 ( -0.583 2.130 0.555) 2.277 19.886 ( -4.291 -0.267 -1.014) 4.418 20.750 ( 6.740 -1.640 -0.632) 6.966 20.855 ( 8.461 2.393 2.385) 9.110 21.024 ( -0.079 -3.895 -1.982) 4.371 21.194 ( -4.616 -0.948 0.465) 4.735 21.237 ( -5.218 2.101 0.515) 5.649 21.429 ( -1.644 2.700 -1.234) 3.393 21.807 ( 3.909 -5.619 3.973) 7.914 22.353 ( 1.357 -6.038 -2.312) 6.606 22.771 ( 3.482 5.741 -0.277) 6.720 22.897 ( 3.088 4.193 1.650) 5.462 22.980 ( -4.298 5.513 0.287) 6.996 23.163 ( -3.374 6.053 -3.524) 7.774 ======================= Grid point 92 (40/104) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.633 4.907 6.355) 8.054 1.892 ( -3.049 7.718 3.198) 8.893 1.958 ( 1.589 11.958 5.083) 13.091 2.129 ( 5.610 1.297 -2.619) 6.325 2.308 ( 4.254 4.644 -7.748) 9.985 2.433 ( 3.483 7.916 -7.204) 11.255 2.554 ( 3.596 4.777 -9.502) 11.227 2.591 ( 2.836 9.639 -5.228) 11.326 2.774 ( -2.773 5.158 -3.706) 6.930 2.840 ( -6.589 3.295 -3.195) 8.030 2.923 ( -0.697 1.285 -0.161) 1.470 2.938 ( -4.463 3.365 3.013) 6.350 3.069 ( 0.026 4.019 3.275) 5.185 3.160 ( -2.121 -3.212 -0.405) 3.870 3.359 ( -1.610 16.106 5.105) 16.972 3.411 ( -1.933 -0.140 0.357) 1.971 3.601 ( 1.326 1.933 7.161) 7.535 3.719 ( 0.612 3.964 1.997) 4.480 3.758 ( -2.436 6.192 7.681) 10.162 3.813 ( -3.052 0.883 6.673) 7.391 3.921 ( 2.714 4.088 -0.004) 4.907 4.037 ( -0.903 0.637 2.969) 3.168 4.150 ( -0.511 -1.665 0.431) 1.794 4.325 ( -0.598 3.766 0.213) 3.819 4.470 ( 0.673 -4.054 7.044) 8.155 4.550 ( 1.134 0.598 2.931) 3.199 4.704 ( -0.547 1.628 2.608) 3.123 4.818 ( -5.828 1.918 5.613) 8.315 5.006 ( -1.083 -5.814 -4.974) 7.728 5.102 ( 1.348 0.376 -4.033) 4.269 5.249 ( 3.942 1.545 -4.072) 5.875 5.485 ( 2.803 -6.315 1.639) 7.101 5.489 ( 5.526 -3.796 -7.794) 10.281 5.634 ( 1.835 0.224 -0.433) 1.899 5.796 ( -2.142 -3.130 -4.275) 5.715 5.847 ( 2.820 -1.828 -0.584) 3.411 5.932 ( 3.600 0.459 0.716) 3.699 5.944 ( -0.944 -0.670 2.818) 3.046 6.073 ( -1.291 -4.895 -1.926) 5.416 6.142 ( -2.422 0.146 -1.281) 2.744 6.246 ( -4.168 0.741 -0.239) 4.240 6.430 ( 1.440 -0.936 -0.945) 1.960 6.535 ( -3.886 6.020 -6.153) 9.445 6.560 ( -2.090 2.198 -3.410) 4.564 6.848 ( 3.189 -2.505 6.125) 7.346 7.130 ( -1.478 -5.223 -0.922) 5.506 7.213 ( 2.869 3.928 1.203) 5.011 7.397 ( -0.825 1.966 -0.341) 2.159 8.173 ( 2.003 3.109 0.402) 3.720 8.301 ( -3.104 5.395 -3.120) 6.962 8.744 ( 0.616 3.817 4.676) 6.067 8.798 ( 2.795 4.302 4.273) 6.677 9.154 ( 0.254 -3.679 -2.544) 4.480 9.271 ( -1.121 -0.577 -0.956) 1.583 9.758 ( -1.333 2.476 2.633) 3.852 10.179 ( -1.919 5.356 7.670) 9.550 10.384 ( -1.502 -12.331 -7.010) 14.264 10.591 ( 3.551 -8.316 1.105) 9.110 10.722 ( -3.157 1.759 -0.347) 3.631 10.892 ( 2.429 -1.502 -1.383) 3.173 11.150 ( -2.063 -5.105 -1.655) 5.749 11.243 ( 2.645 -14.042 -1.850) 14.408 11.429 ( 2.618 -3.737 0.751) 4.625 11.552 ( -1.077 2.041 -2.889) 3.698 11.831 ( 0.170 1.830 6.041) 6.315 12.040 ( -2.829 -7.767 0.200) 8.269 12.227 ( 0.030 2.634 -0.807) 2.755 12.394 ( 1.154 4.567 -3.843) 6.080 19.272 ( -2.163 0.737 3.183) 3.918 19.531 ( 1.376 -3.328 -1.727) 3.994 19.715 ( 0.145 2.005 0.384) 2.046 19.842 ( 0.061 -0.149 -0.880) 0.894 20.827 ( 1.563 -1.501 0.349) 2.195 20.912 ( -4.756 1.893 -1.849) 5.443 21.053 ( 4.225 -2.164 2.903) 5.564 21.146 ( 0.368 -1.168 -0.392) 1.286 21.177 ( -1.379 0.853 0.788) 1.803 21.382 ( -1.231 4.468 -3.810) 6.000 21.899 ( 0.744 -6.281 7.129) 9.530 22.344 ( 0.394 -6.180 -3.357) 7.044 22.827 ( 1.902 7.079 1.089) 7.410 22.903 ( -2.998 5.680 -0.731) 6.464 22.940 ( -1.011 4.407 1.111) 4.656 23.124 ( 3.134 3.623 -3.168) 5.743 ======================= Grid point 93 (41/104) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -8.234 3.624 -3.062) 9.503 1.804 ( -0.659 10.482 0.572) 10.518 1.879 ( -11.563 9.675 1.181) 15.123 2.259 ( 10.872 2.290 -4.804) 12.105 2.360 ( 6.164 6.527 -3.845) 9.766 2.490 ( 3.318 -0.034 1.043) 3.478 2.532 ( -3.562 9.608 -2.318) 10.505 2.580 ( 5.740 6.373 -2.238) 8.864 2.704 ( -0.892 8.156 -4.553) 9.383 2.753 ( 2.291 3.930 -4.490) 6.392 2.895 ( 1.516 -1.153 -1.053) 2.176 2.965 ( 2.352 1.766 1.574) 3.336 3.114 ( 0.597 -2.831 1.279) 3.163 3.172 ( 3.773 6.924 2.781) 8.361 3.336 ( -4.100 5.897 -3.153) 7.844 3.421 ( 2.188 14.325 5.908) 15.649 3.642 ( -1.352 2.131 2.094) 3.280 3.706 ( -3.942 4.076 7.351) 9.284 3.792 ( -0.741 2.786 2.460) 3.790 3.871 ( -1.010 7.457 1.788) 7.735 3.968 ( -0.456 0.675 4.755) 4.824 4.033 ( -0.634 -0.297 3.099) 3.177 4.164 ( 7.353 0.877 -0.290) 7.411 4.337 ( -2.443 0.188 5.967) 6.450 4.509 ( -3.278 -1.967 5.140) 6.406 4.595 ( 1.879 -0.006 0.583) 1.968 4.729 ( -5.094 2.271 3.354) 6.508 4.741 ( -2.183 0.620 7.273) 7.619 4.921 ( -3.650 -9.934 -1.249) 10.657 5.095 ( 2.714 2.422 -4.255) 5.598 5.247 ( -0.005 0.337 -3.991) 4.005 5.493 ( 0.811 -1.802 -5.599) 5.937 5.534 ( 0.418 -6.040 -0.396) 6.067 5.629 ( -2.568 -2.612 -1.253) 3.871 5.675 ( -6.118 -3.507 -6.820) 9.811 5.821 ( -2.022 -3.451 -6.517) 7.647 5.904 ( -7.656 0.988 4.044) 8.715 5.978 ( -2.214 0.727 0.482) 2.379 6.041 ( 2.764 -0.511 -1.003) 2.984 6.129 ( 3.390 -4.181 3.147) 6.235 6.267 ( 2.472 3.709 2.683) 5.202 6.374 ( -4.232 2.672 -5.947) 7.772 6.485 ( 2.666 3.599 -4.845) 6.598 6.546 ( 5.597 1.657 -1.583) 6.048 6.911 ( -2.300 -5.620 6.589) 8.960 7.126 ( 2.035 -4.287 -2.246) 5.250 7.232 ( -1.056 4.394 -0.385) 4.535 7.367 ( -2.816 2.712 1.143) 4.073 8.216 ( 1.529 3.106 -1.823) 3.912 8.308 ( 7.767 6.553 -0.892) 10.201 8.792 ( 0.077 0.569 4.056) 4.097 8.903 ( 4.013 5.277 5.467) 8.593 9.171 ( 4.082 -2.004 -1.838) 4.904 9.253 ( 1.191 -0.692 -3.188) 3.473 9.757 ( -2.135 -1.113 4.075) 4.733 10.201 ( -4.950 5.045 9.460) 11.809 10.299 ( 0.161 -7.212 -6.895) 9.979 10.605 ( -2.565 -5.726 -1.639) 6.485 10.628 ( -5.068 1.874 -1.740) 5.676 10.910 ( -2.239 -11.452 4.379) 12.463 11.081 ( -1.337 -3.765 -5.478) 6.780 11.261 ( 1.155 -10.253 -2.479) 10.612 11.505 ( 1.865 0.980 -0.494) 2.164 11.553 ( 5.714 -4.497 -1.348) 7.395 11.891 ( -0.203 1.323 7.124) 7.248 11.972 ( -3.995 -4.829 -0.663) 6.302 12.166 ( -5.495 3.771 -0.685) 6.700 12.389 ( 1.775 2.765 -4.570) 5.628 19.257 ( -2.513 0.810 2.924) 3.939 19.533 ( 0.395 -3.476 -1.263) 3.719 19.723 ( 0.099 2.131 0.891) 2.311 19.872 ( 4.567 -0.676 -1.659) 4.906 20.771 ( -8.532 -0.111 -1.187) 8.615 20.803 ( -5.155 0.307 1.899) 5.502 21.053 ( -3.595 -3.064 -1.020) 4.833 21.199 ( 2.884 0.359 1.114) 3.113 21.240 ( 5.184 1.309 0.563) 5.376 21.355 ( 3.542 3.078 -2.594) 5.362 21.952 ( -2.178 -6.080 8.146) 10.396 22.304 ( -0.978 -8.171 -5.052) 9.657 22.817 ( -3.571 3.868 0.110) 5.266 22.838 ( -4.291 5.591 0.730) 7.085 22.967 ( 4.351 7.521 -0.157) 8.690 23.199 ( 7.417 6.265 -2.417) 10.006 ======================= Grid point 94 (42/104) ======================= q-point: (-0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -18.853 8.926 -9.752) 23.027 1.582 ( -20.334 14.595 1.702) 25.087 1.929 ( 8.762 3.876 -5.881) 11.242 2.328 ( -5.356 5.046 1.164) 7.450 2.371 ( 0.266 2.476 -5.172) 5.741 2.414 ( -9.159 15.389 5.285) 18.672 2.480 ( 0.933 8.141 -4.970) 9.583 2.696 ( -0.842 3.081 -8.936) 9.489 2.731 ( 4.693 5.172 -0.474) 7.000 2.777 ( 10.751 2.650 2.868) 11.438 2.945 ( 3.212 -2.894 0.481) 4.350 3.062 ( 6.222 -1.066 0.659) 6.347 3.194 ( 0.529 3.307 0.368) 3.369 3.205 ( 5.484 0.215 0.820) 5.549 3.318 ( 5.013 10.778 3.081) 12.279 3.494 ( 0.129 12.911 2.980) 13.251 3.638 ( 0.331 1.194 2.040) 2.387 3.724 ( -1.546 2.609 6.930) 7.564 3.761 ( -4.212 6.277 -1.765) 7.762 3.846 ( 3.425 5.820 2.010) 7.046 3.982 ( -6.008 -2.333 3.907) 7.537 4.067 ( 1.396 2.992 2.111) 3.919 4.216 ( 0.717 5.165 -3.566) 6.318 4.444 ( -0.934 -5.286 2.476) 5.911 4.482 ( -1.823 1.316 7.967) 8.278 4.629 ( 3.686 -0.562 6.402) 7.408 4.676 ( 0.429 -1.061 0.230) 1.168 4.807 ( -0.536 -3.043 8.156) 8.722 4.887 ( -0.926 -8.006 0.273) 8.064 5.084 ( -0.952 2.421 -3.769) 4.579 5.190 ( -2.134 0.450 -3.655) 4.256 5.367 ( -7.207 0.740 -6.003) 9.408 5.487 ( -5.559 -1.972 -0.610) 5.929 5.541 ( -3.793 -3.621 -0.484) 5.266 5.601 ( 2.202 -2.252 -2.100) 3.785 5.727 ( -1.579 -6.326 -5.224) 8.355 5.835 ( -3.211 -1.519 1.438) 3.832 5.951 ( -1.031 1.181 -0.946) 1.831 6.060 ( 0.777 -0.920 -0.529) 1.315 6.125 ( -5.383 -3.471 -1.942) 6.693 6.284 ( 2.049 4.149 0.949) 4.724 6.321 ( -2.376 2.569 -1.724) 3.900 6.595 ( 6.709 0.753 -2.809) 7.313 6.650 ( 11.846 3.660 -0.088) 12.399 6.914 ( -2.869 -7.372 4.959) 9.336 7.111 ( -2.525 -2.089 -1.441) 3.580 7.199 ( -1.426 3.270 -1.476) 3.861 7.315 ( -4.295 3.887 1.407) 5.961 8.219 ( 2.697 4.313 -4.404) 6.728 8.503 ( 12.571 6.097 2.732) 14.236 8.803 ( -1.711 -1.683 1.240) 2.701 9.005 ( 2.428 4.233 4.529) 6.657 9.256 ( 3.200 -1.997 -5.028) 6.286 9.278 ( 9.074 1.859 1.196) 9.340 9.755 ( -2.847 -4.946 5.452) 7.893 10.147 ( -5.224 -5.804 1.416) 7.936 10.318 ( 1.501 8.731 5.387) 10.369 10.463 ( -8.712 -6.282 -4.136) 11.510 10.561 ( -2.925 3.016 -0.670) 4.255 10.841 ( -7.974 -12.084 0.066) 14.478 11.072 ( 3.961 -6.685 -2.088) 8.046 11.242 ( 0.393 -11.426 -4.082) 12.140 11.493 ( -0.572 0.857 -2.768) 2.953 11.645 ( 1.904 -4.752 1.841) 5.440 11.872 ( -3.729 0.453 -0.531) 3.793 11.983 ( 0.927 -0.771 6.280) 6.395 12.060 ( -5.580 5.237 0.579) 7.675 12.362 ( 0.458 0.863 -6.231) 6.307 19.240 ( -2.456 0.861 2.976) 3.954 19.524 ( -0.276 -3.309 -0.948) 3.453 19.738 ( 0.107 2.027 2.638) 3.328 19.957 ( 7.249 -1.460 -3.232) 8.070 20.615 ( -8.359 -0.920 -0.370) 8.418 20.713 ( -7.300 3.073 2.970) 8.459 20.948 ( -6.237 -6.873 -2.948) 9.738 21.255 ( 2.407 2.859 -0.347) 3.754 21.285 ( 0.934 0.665 2.558) 2.803 21.473 ( 9.072 -0.108 -1.060) 9.135 21.967 ( -4.255 -6.120 7.961) 10.906 22.212 ( -3.490 -11.166 -7.811) 14.067 22.739 ( -3.890 3.420 -1.430) 5.374 22.780 ( -3.925 3.497 1.893) 5.587 23.063 ( 6.217 10.717 0.393) 12.396 23.325 ( 10.145 11.844 -3.073) 15.895 ======================= Grid point 95 (43/104) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -19.615 13.766 -3.423) 24.207 1.230 ( -22.528 17.835 4.056) 29.018 1.931 ( -13.594 15.784 -3.218) 21.078 2.028 ( -15.152 15.314 3.121) 21.768 2.282 ( -5.355 -0.050 -5.566) 7.724 2.417 ( 2.834 -1.231 1.868) 3.610 2.475 ( 1.929 20.063 -1.578) 20.217 2.630 ( 0.876 1.989 -4.697) 5.175 2.797 ( 3.552 0.907 -1.412) 3.929 2.967 ( 5.040 4.911 4.163) 8.176 3.046 ( 8.791 -5.683 3.098) 10.916 3.075 ( -0.187 -0.083 -6.216) 6.219 3.196 ( 2.170 0.277 3.872) 4.447 3.406 ( 3.462 1.535 4.521) 5.897 3.432 ( 3.817 12.107 2.224) 12.888 3.543 ( 7.276 6.746 0.820) 9.956 3.675 ( 1.279 -0.240 0.718) 1.487 3.721 ( -0.493 5.541 6.657) 8.675 3.740 ( -2.473 2.008 -2.024) 3.774 3.853 ( -3.609 3.550 5.906) 7.779 3.931 ( 1.152 2.159 -3.669) 4.410 4.152 ( -1.086 6.505 -4.633) 8.060 4.183 ( 6.161 7.925 0.204) 10.041 4.353 ( -5.624 -10.706 -2.884) 12.433 4.448 ( -5.215 0.794 4.841) 7.160 4.646 ( -0.603 3.894 1.294) 4.148 4.801 ( -3.359 -4.385 -1.929) 5.851 4.856 ( -2.527 -5.992 2.872) 7.109 4.959 ( 3.161 0.877 6.043) 6.876 5.004 ( 0.460 -5.328 1.053) 5.451 5.156 ( 3.469 2.035 1.400) 4.258 5.235 ( -2.966 -0.030 -2.793) 4.074 5.403 ( -2.569 -2.931 -0.015) 3.897 5.503 ( -0.405 -2.823 -2.335) 3.686 5.621 ( -2.166 -5.555 0.077) 5.963 5.701 ( 3.374 -3.446 -1.613) 5.085 5.793 ( -2.194 -3.167 -0.520) 3.888 5.926 ( -1.067 3.226 -0.701) 3.469 6.003 ( -0.586 -2.471 -3.281) 4.149 6.125 ( 2.867 4.167 2.923) 5.841 6.242 ( -4.101 -0.919 -0.074) 4.203 6.346 ( 2.873 0.038 -0.293) 2.889 6.573 ( -3.571 0.746 -2.640) 4.503 6.878 ( -1.171 -5.665 2.599) 6.342 6.907 ( 10.660 3.108 -3.252) 11.570 7.031 ( -4.155 -1.466 -2.188) 4.919 7.162 ( -0.957 4.361 -0.866) 4.548 7.259 ( -3.219 4.254 0.885) 5.407 8.247 ( 4.808 4.243 -3.312) 7.218 8.691 ( -0.085 -0.404 -0.148) 0.439 8.809 ( 7.432 5.386 3.198) 9.719 9.076 ( 1.569 -0.252 4.597) 4.864 9.267 ( 3.974 -1.546 -6.570) 7.832 9.485 ( 11.580 3.556 2.952) 12.469 9.764 ( -1.658 -7.359 6.531) 9.978 10.069 ( -5.604 -9.724 0.035) 11.223 10.256 ( -9.280 -2.400 -2.229) 9.841 10.422 ( 2.628 6.386 4.253) 8.110 10.507 ( -4.949 6.608 3.824) 9.098 10.706 ( -3.282 -6.529 -3.184) 7.971 11.114 ( 1.568 -11.004 -3.093) 11.537 11.230 ( 1.920 -14.953 -0.982) 15.108 11.446 ( -2.328 -0.180 -1.643) 2.855 11.614 ( -6.498 -3.013 1.127) 7.250 11.816 ( -2.964 7.107 0.842) 7.746 11.981 ( -1.614 1.703 -1.413) 2.739 12.072 ( 0.249 -1.602 6.850) 7.039 12.309 ( 1.264 2.163 -7.879) 8.267 19.226 ( -2.199 0.851 3.176) 3.955 19.512 ( -0.071 -2.807 -0.971) 2.971 19.788 ( 1.142 0.585 8.223) 8.322 20.043 ( 6.078 -1.629 -4.439) 7.700 20.496 ( -4.977 -1.559 0.416) 5.232 20.621 ( -5.763 4.359 2.743) 7.729 20.792 ( -9.578 -11.532 -2.587) 15.213 21.283 ( 1.371 3.757 -0.183) 4.004 21.323 ( -0.466 -4.410 3.829) 5.859 21.590 ( 4.733 -1.351 -2.366) 5.461 21.919 ( -7.352 -8.899 0.540) 11.556 22.069 ( -4.301 -7.698 -4.814) 10.046 22.672 ( -2.705 3.449 -0.697) 4.439 22.734 ( -2.956 2.663 1.187) 4.153 23.174 ( 5.854 11.228 0.430) 12.669 23.507 ( 16.525 21.319 -6.623) 27.775 ======================= Grid point 96 (44/104) ======================= q-point: (-0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -11.589 18.499 14.966) 26.467 0.920 ( -19.393 21.252 11.160) 30.859 1.535 ( -25.835 40.639 16.610) 50.939 1.915 ( -3.188 4.451 -10.613) 11.942 2.180 ( -1.912 -2.462 0.585) 3.171 2.387 ( -0.933 14.364 -5.231) 15.315 2.577 ( 5.303 6.043 4.271) 9.104 2.672 ( 3.390 0.847 4.032) 5.335 2.829 ( 1.110 -0.208 -0.391) 1.195 3.018 ( 0.806 0.284 -5.340) 5.408 3.067 ( 3.686 -5.041 0.771) 6.292 3.195 ( 0.450 0.155 5.546) 5.566 3.272 ( 3.516 1.871 3.813) 5.514 3.404 ( -3.057 12.009 1.258) 12.456 3.467 ( -4.481 4.617 5.589) 8.522 3.596 ( -0.181 -0.065 -3.592) 3.597 3.681 ( 3.247 1.561 -3.272) 4.866 3.785 ( 2.601 -1.114 -0.238) 2.839 3.806 ( 4.713 -1.384 4.608) 6.735 3.889 ( 1.166 5.152 0.990) 5.375 3.938 ( 5.371 5.150 0.516) 7.459 4.038 ( -4.885 5.345 -5.522) 9.106 4.205 ( 0.514 8.571 -3.746) 9.368 4.316 ( -6.767 -2.719 0.895) 7.347 4.420 ( 0.876 1.411 2.672) 3.146 4.628 ( -1.308 -0.667 -7.431) 7.574 4.672 ( -3.908 -0.480 -5.035) 6.392 4.792 ( -10.863 -5.172 0.492) 12.042 4.850 ( -0.142 -2.064 0.405) 2.108 5.064 ( -0.293 2.931 1.833) 3.469 5.187 ( -0.575 -0.291 -2.481) 2.563 5.352 ( 0.855 -6.153 1.338) 6.354 5.439 ( 2.750 -0.355 9.337) 9.740 5.490 ( 7.991 -4.341 -4.593) 10.188 5.535 ( -3.589 -0.164 -1.293) 3.818 5.746 ( -1.129 -4.161 4.578) 6.289 5.775 ( -0.012 -4.395 -1.010) 4.509 5.954 ( 4.976 -1.045 0.106) 5.085 6.025 ( 4.374 -1.098 0.622) 4.553 6.151 ( -3.753 2.530 3.229) 5.559 6.251 ( 1.639 -3.132 0.038) 3.535 6.331 ( -3.461 -2.401 -0.104) 4.213 6.494 ( -1.705 3.390 -1.241) 3.993 6.809 ( -5.087 -4.237 1.315) 6.749 6.938 ( -2.956 -0.001 -4.260) 5.185 7.027 ( 6.895 4.355 -7.897) 11.352 7.184 ( 3.217 4.733 -2.388) 6.201 7.228 ( 0.472 4.752 -0.186) 4.779 8.332 ( 6.915 3.117 -0.687) 7.616 8.601 ( -5.949 -1.632 0.296) 6.176 8.986 ( 5.256 7.507 1.860) 9.351 9.137 ( 0.585 -1.212 4.452) 4.651 9.277 ( 3.833 -3.823 -6.849) 8.730 9.691 ( 8.694 -1.113 4.216) 9.726 9.823 ( 1.084 -5.299 3.853) 6.641 9.934 ( -6.217 -7.685 1.604) 10.014 10.146 ( -5.940 -7.160 1.698) 9.457 10.341 ( -5.591 6.689 -2.363) 9.032 10.559 ( 3.773 4.991 -0.820) 6.310 10.727 ( 0.907 -3.189 6.827) 7.589 11.064 ( -1.497 -15.600 -6.718) 17.051 11.282 ( 2.478 -12.832 1.899) 13.207 11.391 ( -2.725 -1.574 -1.347) 3.423 11.490 ( -6.676 -2.291 -0.745) 7.097 11.769 ( -3.294 12.636 -0.455) 13.066 11.946 ( -2.392 0.279 3.284) 4.072 12.108 ( -0.164 -3.792 2.002) 4.291 12.309 ( 5.999 6.661 -5.428) 10.480 19.218 ( -1.950 0.845 3.176) 3.822 19.504 ( 0.470 -2.235 -1.905) 2.974 19.963 ( 4.905 -8.878 21.135) 23.443 20.083 ( 2.467 -0.975 -2.219) 3.458 20.445 ( -2.717 -1.271 -0.590) 3.057 20.538 ( -16.950 -12.071 -2.002) 20.905 20.584 ( -0.710 2.046 1.061) 2.412 21.215 ( -8.140 -8.901 -8.520) 14.768 21.368 ( 0.768 0.195 8.967) 9.002 21.535 ( -4.511 1.079 -2.113) 5.096 21.828 ( 2.059 -1.257 -3.701) 4.418 22.009 ( -3.085 -3.078 2.145) 4.857 22.636 ( -1.170 3.375 -0.062) 3.573 22.700 ( -1.832 2.445 0.470) 3.091 23.255 ( 3.093 10.324 0.016) 10.777 23.758 ( 23.303 28.193 -20.518) 41.939 ======================= Grid point 97 (45/104) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 1.165 23.436 11.326) 26.055 1.320 ( -1.806 22.235 15.736) 27.300 1.912 ( 2.139 7.331 -5.738) 9.552 2.190 ( 5.452 -2.214 5.501) 8.055 2.376 ( -1.431 35.194 13.497) 37.721 2.472 ( 0.423 0.033 0.435) 0.608 2.555 ( -1.190 -11.566 2.414) 11.875 2.755 ( -1.489 -5.455 -2.342) 6.120 2.824 ( 3.866 1.803 -4.300) 6.057 3.023 ( 0.732 2.562 -5.013) 5.677 3.118 ( -2.305 -2.866 1.181) 3.863 3.167 ( -2.302 12.799 8.924) 15.772 3.381 ( -1.724 4.963 3.748) 6.454 3.497 ( -2.006 -0.738 3.641) 4.222 3.568 ( 1.128 -0.459 0.409) 1.284 3.645 ( -1.322 1.850 -2.104) 3.098 3.683 ( -2.350 6.263 -3.616) 7.604 3.769 ( 1.313 3.198 -0.836) 3.557 3.908 ( -1.032 4.079 1.930) 4.629 3.931 ( -2.543 4.137 -0.742) 4.912 4.129 ( 1.117 4.433 -4.999) 6.774 4.210 ( -2.967 8.553 -1.959) 9.262 4.283 ( 8.081 13.758 0.649) 15.969 4.426 ( -3.911 8.931 -16.174) 18.886 4.445 ( 1.808 2.715 -7.513) 8.190 4.549 ( 1.745 1.479 2.349) 3.279 4.732 ( -1.274 6.209 -2.079) 6.671 4.768 ( 1.943 7.915 4.116) 9.131 4.962 ( -2.993 9.746 2.127) 10.415 5.057 ( -2.256 0.114 -2.496) 3.367 5.153 ( 0.633 0.123 -2.767) 2.841 5.215 ( -1.869 -0.356 -0.241) 1.918 5.416 ( -0.712 -9.798 5.120) 11.078 5.490 ( -0.950 -2.725 1.153) 3.108 5.543 ( -0.061 -1.206 1.578) 1.987 5.658 ( 0.576 -2.690 2.355) 3.621 5.736 ( 0.943 -2.890 0.498) 3.081 5.864 ( 4.619 -8.416 -0.169) 9.602 6.005 ( -4.183 -3.085 -2.946) 5.975 6.154 ( 1.168 -5.206 3.400) 6.327 6.187 ( 0.243 -5.069 -0.765) 5.132 6.207 ( -0.869 1.524 2.690) 3.211 6.577 ( 3.224 -0.103 -4.395) 5.452 6.704 ( 1.040 -4.534 5.174) 6.958 6.848 ( -1.572 -1.117 -4.392) 4.797 6.978 ( 1.709 -15.213 0.217) 15.310 7.252 ( -0.287 4.650 -2.124) 5.120 7.305 ( 1.061 4.899 -1.670) 5.283 8.493 ( 0.383 2.319 2.114) 3.162 8.570 ( 1.040 4.667 0.409) 4.799 8.994 ( -2.118 -3.761 -2.345) 4.912 9.010 ( -5.457 -8.593 -0.414) 10.188 9.317 ( 0.674 7.328 6.496) 9.816 9.704 ( 4.195 -5.285 7.429) 10.036 9.780 ( -2.787 -6.412 1.987) 7.268 9.966 ( 1.769 5.869 -1.292) 6.264 10.121 ( 3.499 7.458 -4.752) 9.510 10.375 ( 2.270 -3.513 -1.292) 4.377 10.492 ( -10.984 -4.745 -4.463) 12.770 10.697 ( -0.625 -4.875 -10.719) 11.792 10.776 ( 6.457 -0.023 5.742) 8.641 11.036 ( -2.166 -12.285 2.635) 12.750 11.283 ( 0.597 -4.002 -1.896) 4.468 11.350 ( -0.792 -4.887 -1.205) 5.096 11.964 ( -0.677 5.659 0.941) 5.777 11.977 ( -0.782 0.955 5.367) 5.507 12.062 ( -0.106 0.663 1.114) 1.301 12.404 ( 2.432 -1.088 -4.761) 5.456 19.242 ( -1.476 1.722 3.194) 3.917 19.416 ( -1.686 -4.065 1.623) 4.691 19.937 ( -4.763 1.864 6.435) 8.220 20.096 ( 2.938 -1.472 -0.009) 3.286 20.411 ( 5.427 -0.242 2.578) 6.013 20.447 ( 0.883 -0.882 3.372) 3.596 20.580 ( -1.954 0.692 -2.291) 3.089 20.898 ( -0.697 -8.523 -5.823) 10.346 21.438 ( -1.279 1.984 4.334) 4.935 21.571 ( 2.080 -0.457 2.956) 3.643 21.819 ( 0.316 -1.429 -1.826) 2.340 21.910 ( -0.355 -3.857 -0.934) 3.985 22.707 ( 0.246 3.934 0.349) 3.957 22.739 ( -0.365 2.926 -0.157) 2.953 23.540 ( -0.201 14.409 0.730) 14.429 24.046 ( 1.835 2.715 -15.476) 15.819 ======================= Grid point 98 (46/104) ======================= q-point: ( 0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.980 21.879 7.831) 24.913 1.553 ( 8.752 15.320 18.852) 25.820 1.992 ( 11.366 10.223 -5.804) 16.352 2.279 ( 4.553 4.091 -8.102) 10.154 2.453 ( -0.277 -8.207 5.760) 10.030 2.566 ( -0.083 -5.955 3.269) 6.793 2.616 ( 6.906 29.964 12.184) 33.075 2.726 ( -0.619 -5.166 0.723) 5.253 2.825 ( -0.920 -1.933 -0.991) 2.359 2.994 ( -1.437 1.169 0.157) 1.859 3.068 ( -4.725 -2.104 2.037) 5.559 3.184 ( -2.594 10.728 5.743) 12.442 3.373 ( -2.666 4.262 1.550) 5.261 3.456 ( -3.456 4.606 -1.319) 5.908 3.528 ( -3.421 -2.633 -3.542) 5.585 3.563 ( -4.138 7.063 -2.160) 8.466 3.689 ( 3.088 3.857 4.134) 6.443 3.801 ( 0.541 3.247 -3.034) 4.476 3.880 ( -0.532 3.723 0.083) 3.761 3.986 ( 4.865 -1.432 4.811) 6.991 4.110 ( 0.769 6.347 0.869) 6.452 4.173 ( 0.369 8.764 -5.714) 10.469 4.216 ( -0.730 8.908 -13.177) 15.922 4.389 ( -2.230 7.191 -2.270) 7.863 4.405 ( 5.421 9.517 -5.775) 12.382 4.561 ( -3.859 9.394 1.977) 10.346 4.653 ( -1.278 6.282 -6.327) 9.007 4.853 ( -7.452 2.334 -0.520) 7.826 4.881 ( 5.273 1.586 0.835) 5.569 5.023 ( -4.318 1.552 3.606) 5.836 5.155 ( 3.463 -0.573 -1.831) 3.959 5.186 ( -2.538 7.288 -0.232) 7.721 5.366 ( -3.624 -5.228 -2.490) 6.831 5.477 ( -3.066 -0.473 5.784) 6.564 5.574 ( 0.600 -10.360 5.625) 11.804 5.654 ( 0.188 -5.027 -0.028) 5.031 5.774 ( 3.398 -4.168 -3.073) 6.194 5.921 ( -1.843 -2.645 -2.792) 4.265 5.996 ( -6.854 -8.922 -3.688) 11.840 6.027 ( 6.240 -4.975 4.706) 9.264 6.279 ( 5.029 2.625 3.783) 6.818 6.316 ( 4.032 -5.766 1.516) 7.198 6.619 ( 4.313 -0.635 -1.945) 4.773 6.747 ( -2.519 -0.344 3.098) 4.008 6.821 ( 4.521 -4.621 -4.128) 7.670 6.971 ( -2.152 -9.480 0.153) 9.722 7.227 ( -0.290 4.380 -2.187) 4.904 7.309 ( 1.106 4.474 -1.764) 4.934 8.470 ( -3.638 2.144 2.298) 4.808 8.644 ( 4.819 2.636 0.412) 5.508 8.909 ( -1.264 0.005 -1.796) 2.196 8.970 ( -3.129 -1.594 0.261) 3.521 9.347 ( -4.499 2.839 8.277) 9.839 9.647 ( -10.017 -0.735 -3.282) 10.566 9.824 ( 2.858 -1.811 3.546) 4.901 10.059 ( 6.639 0.987 1.816) 6.954 10.149 ( 1.186 4.727 1.259) 5.034 10.289 ( -4.843 -8.217 -5.236) 10.880 10.400 ( 1.172 -6.786 -4.271) 8.103 10.564 ( -2.036 3.691 -4.333) 6.045 10.855 ( -3.099 -11.722 0.637) 12.142 11.113 ( 8.777 -6.186 3.351) 11.249 11.311 ( 3.671 -4.808 -2.684) 6.618 11.392 ( 6.406 -3.735 -0.577) 7.438 11.959 ( -1.396 2.292 0.828) 2.808 11.990 ( -2.509 3.515 4.283) 6.082 12.064 ( -0.544 1.327 0.973) 1.733 12.396 ( 1.526 -2.567 -3.597) 4.675 19.250 ( -0.904 1.628 3.289) 3.779 19.408 ( -0.517 -3.519 1.205) 3.755 19.890 ( -4.381 4.830 2.638) 7.034 20.145 ( 0.572 -3.438 1.840) 3.942 20.431 ( -0.705 0.175 -0.491) 0.877 20.520 ( 0.181 -0.554 -0.527) 0.785 20.654 ( 11.091 -2.371 5.464) 12.589 20.919 ( 8.489 -7.553 -7.105) 13.402 21.443 ( -2.291 2.426 3.842) 5.089 21.631 ( 0.860 -2.403 1.843) 3.148 21.765 ( -3.960 -0.999 -2.541) 4.810 21.937 ( 4.336 -6.796 0.436) 8.073 22.731 ( 1.949 3.635 0.736) 4.190 22.742 ( 1.124 3.337 -0.486) 3.554 23.509 ( -4.338 14.134 1.126) 14.828 23.863 ( -7.088 7.163 -12.471) 16.033 ======================= Grid point 99 (47/104) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 11.146 16.767 6.268) 21.087 1.898 ( 12.780 12.793 16.492) 24.474 2.124 ( 10.524 11.134 -11.778) 19.324 2.266 ( 5.060 4.495 -11.348) 13.213 2.409 ( -9.093 -1.939 0.900) 9.341 2.570 ( -2.573 -6.037 4.836) 8.152 2.692 ( -0.080 0.754 -1.588) 1.760 2.752 ( -3.747 -7.773 1.610) 8.778 2.890 ( 5.422 14.211 3.573) 15.624 2.933 ( -4.446 4.044 3.582) 6.997 3.047 ( -1.998 -4.256 4.464) 6.483 3.185 ( -2.165 10.278 2.862) 10.887 3.310 ( -4.360 2.749 1.044) 5.259 3.339 ( -8.062 9.152 -2.826) 12.520 3.461 ( -1.274 -2.033 -1.365) 2.760 3.566 ( 1.621 4.060 5.220) 6.809 3.732 ( -2.922 8.446 3.681) 9.666 3.764 ( 2.974 4.279 -5.437) 7.531 3.896 ( -1.889 -0.595 1.454) 2.457 3.993 ( -1.658 12.466 -1.896) 12.718 4.133 ( -0.839 11.598 -2.122) 11.820 4.225 ( 4.307 12.758 0.221) 13.467 4.246 ( 3.841 -1.843 4.335) 6.077 4.337 ( 6.387 5.110 -3.818) 9.027 4.380 ( -4.861 5.827 1.068) 7.663 4.509 ( 0.117 7.551 -3.528) 8.335 4.546 ( -3.302 3.634 -7.120) 8.650 4.755 ( -4.766 0.162 0.440) 4.789 4.902 ( -0.524 2.513 -2.751) 3.763 5.043 ( 3.354 0.456 3.109) 4.596 5.104 ( -3.349 6.396 -0.788) 7.262 5.242 ( 5.977 -3.037 0.755) 6.747 5.333 ( 1.380 -0.105 -3.286) 3.565 5.507 ( 2.044 0.060 3.947) 4.446 5.623 ( 0.173 -7.054 1.737) 7.267 5.682 ( 1.799 -6.132 1.786) 6.636 5.795 ( 1.466 -7.353 -1.454) 7.637 5.857 ( -0.231 -7.632 -4.474) 8.850 5.926 ( 2.225 -6.596 -0.196) 6.964 6.136 ( -0.440 -4.280 5.102) 6.674 6.300 ( -3.970 -5.752 -2.522) 7.430 6.413 ( 5.928 -0.901 1.292) 6.133 6.654 ( 0.802 2.760 -2.486) 3.800 6.737 ( 0.869 -1.927 0.547) 2.183 6.820 ( -4.628 -4.395 2.409) 6.822 6.987 ( 4.945 -2.785 -1.236) 5.808 7.216 ( 1.355 4.227 -1.977) 4.859 7.317 ( 1.829 3.342 -1.677) 4.162 8.418 ( -4.092 3.884 0.657) 5.680 8.715 ( 3.486 2.709 -0.315) 4.426 8.868 ( -5.459 5.849 0.672) 8.029 8.936 ( -1.419 2.324 2.574) 3.747 9.315 ( -6.727 -1.551 7.073) 9.884 9.413 ( -11.326 0.429 -4.606) 12.234 9.894 ( 4.638 2.282 -1.584) 5.406 10.103 ( -4.379 1.659 4.339) 6.384 10.176 ( 4.502 -5.179 -4.544) 8.230 10.312 ( 6.400 -7.216 -0.275) 9.649 10.352 ( 1.948 -2.361 -4.636) 5.555 10.592 ( 3.508 -0.785 3.315) 4.889 10.793 ( -2.618 -16.504 -0.580) 16.720 11.229 ( 1.867 -11.237 -1.132) 11.447 11.395 ( 6.978 0.508 -0.369) 7.006 11.516 ( 7.174 -2.010 0.721) 7.485 11.914 ( -4.206 1.810 0.120) 4.580 11.969 ( -4.548 -0.265 4.822) 6.634 12.082 ( 3.330 5.345 -0.691) 6.335 12.404 ( 2.449 -3.172 -2.517) 4.732 19.266 ( -0.593 1.519 3.365) 3.739 19.418 ( 0.563 -3.402 0.689) 3.517 19.839 ( -3.233 4.738 0.508) 5.758 20.096 ( -6.811 -3.940 0.351) 7.876 20.480 ( 7.156 0.402 -0.336) 7.175 20.554 ( 4.495 -0.890 -1.028) 4.697 20.876 ( 8.099 -1.938 4.477) 9.455 21.033 ( 10.850 -5.018 -4.937) 12.933 21.420 ( -3.794 2.776 2.791) 5.467 21.598 ( -6.273 -2.502 1.005) 6.828 21.686 ( -0.626 0.408 -3.931) 4.001 22.043 ( 5.931 -10.522 1.280) 12.146 22.769 ( 2.648 4.042 -0.601) 4.869 22.787 ( 3.721 3.333 1.012) 5.096 23.414 ( -7.528 13.292 0.816) 15.298 23.638 ( -8.796 8.380 -6.740) 13.893 ======================= Grid point 100 (48/104) ======================= q-point: ( 0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 7.071 11.547 3.478) 13.980 2.048 ( -7.209 7.502 -9.632) 14.178 2.195 ( 3.064 7.218 2.053) 8.106 2.295 ( 10.045 10.257 -0.040) 14.357 2.302 ( -1.308 3.523 -2.570) 4.553 2.542 ( -4.963 -0.739 3.788) 6.287 2.640 ( 1.121 1.004 -3.489) 3.800 2.715 ( 1.090 -3.630 -4.680) 6.022 2.921 ( -1.296 0.913 4.806) 5.061 2.951 ( 0.735 2.022 -0.890) 2.328 3.061 ( -1.716 -1.156 4.004) 4.507 3.122 ( -6.031 3.186 -2.750) 7.354 3.189 ( -7.363 7.402 4.569) 11.396 3.256 ( -3.476 5.691 1.943) 6.946 3.460 ( -0.720 1.770 1.906) 2.699 3.642 ( -2.999 6.953 6.984) 10.301 3.674 ( -2.585 4.083 2.272) 5.340 3.801 ( 1.246 7.195 -0.282) 7.308 3.817 ( -2.419 1.191 -4.395) 5.157 4.017 ( -1.089 11.057 1.647) 11.232 4.071 ( -3.263 10.211 -1.922) 10.891 4.175 ( -4.894 14.048 0.837) 14.899 4.219 ( 0.363 8.771 1.660) 8.934 4.418 ( -1.212 -0.052 2.634) 2.900 4.445 ( -3.118 11.532 -2.318) 12.169 4.480 ( 1.629 0.692 -2.190) 2.816 4.588 ( 11.291 -1.044 3.254) 11.797 4.689 ( 1.061 -3.103 1.683) 3.686 4.907 ( 2.782 5.141 -1.573) 6.053 5.104 ( 4.067 6.593 -0.597) 7.769 5.138 ( 4.794 1.572 -0.017) 5.046 5.321 ( 1.463 0.228 -3.848) 4.123 5.371 ( 8.915 -6.732 -0.561) 11.185 5.581 ( 3.231 -1.798 -2.505) 4.466 5.620 ( -1.285 -4.812 1.376) 5.167 5.697 ( 1.620 -8.745 -3.040) 9.399 5.817 ( 1.111 -7.924 0.630) 8.027 5.873 ( 2.682 -4.480 0.118) 5.223 6.029 ( 5.220 -4.584 1.780) 7.172 6.109 ( -3.013 -6.526 0.764) 7.229 6.204 ( -2.383 -4.449 -0.671) 5.091 6.467 ( -1.064 -4.691 1.011) 4.916 6.608 ( -1.373 3.932 -4.908) 6.437 6.772 ( 0.010 0.221 4.680) 4.685 6.775 ( -2.229 0.374 0.751) 2.382 7.046 ( 2.398 -4.925 -1.855) 5.783 7.232 ( 2.102 4.385 -1.843) 5.200 7.354 ( 3.636 2.432 -0.673) 4.426 8.339 ( -4.577 5.846 -0.963) 7.486 8.746 ( -9.540 4.724 3.334) 11.155 8.769 ( 0.817 7.426 1.200) 7.567 8.890 ( -4.168 5.324 -1.001) 6.835 9.243 ( -6.100 -0.200 2.815) 6.721 9.260 ( -4.185 -4.714 1.075) 6.395 9.937 ( 2.808 8.108 -5.049) 9.956 10.094 ( 1.180 -4.227 1.819) 4.751 10.197 ( 2.604 -7.542 -4.205) 9.020 10.339 ( 2.392 -0.410 -1.312) 2.758 10.492 ( 9.179 -6.790 2.829) 11.763 10.694 ( 3.359 -2.476 3.948) 5.745 10.775 ( 1.486 -18.277 -0.099) 18.338 11.202 ( -1.057 -11.994 -4.428) 12.829 11.459 ( -0.094 2.402 -0.638) 2.487 11.620 ( 2.891 -1.923 1.239) 3.687 11.836 ( -4.277 2.307 0.879) 4.938 11.939 ( -2.687 -3.234 3.871) 5.715 12.162 ( 5.949 5.688 -0.473) 8.244 12.429 ( 2.708 -2.253 -2.589) 4.372 19.284 ( -0.730 1.463 3.322) 3.703 19.435 ( 0.899 -3.418 0.239) 3.543 19.791 ( -2.026 3.500 -0.790) 4.120 19.971 ( -6.412 -2.122 -1.102) 6.844 20.614 ( 7.754 -0.402 -1.287) 7.870 20.666 ( 8.645 -1.873 1.520) 8.975 20.991 ( 4.080 0.728 -0.465) 4.171 21.172 ( 5.410 -3.308 -0.737) 6.384 21.362 ( -5.259 2.063 1.411) 5.822 21.502 ( -3.844 0.456 2.486) 4.600 21.662 ( 0.593 -1.419 -2.651) 3.065 22.136 ( 4.188 -11.209 -0.374) 11.972 22.823 ( 4.162 5.134 -0.505) 6.629 22.874 ( 5.244 3.264 1.050) 6.265 23.278 ( -8.406 11.554 0.287) 14.291 23.447 ( -8.710 7.104 -3.010) 11.636 ======================= Grid point 101 (49/104) ======================= q-point: ( 0.40 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -7.733 6.035 1.310) 9.897 1.982 ( 4.411 6.880 1.606) 8.329 2.137 ( -4.681 3.883 -1.771) 6.335 2.228 ( -2.146 8.310 -1.953) 8.802 2.383 ( 1.013 5.990 -5.325) 8.078 2.618 ( 6.736 0.582 -3.592) 7.656 2.664 ( 4.681 3.464 -8.122) 9.994 2.751 ( 5.934 10.815 1.048) 12.380 2.869 ( -1.922 -0.790 0.658) 2.180 2.947 ( -7.276 1.380 -2.477) 7.808 3.002 ( 1.744 -2.077 -1.050) 2.909 3.092 ( -2.186 4.566 3.714) 6.278 3.115 ( -6.528 -3.492 4.428) 8.626 3.225 ( -3.153 10.944 3.329) 11.866 3.441 ( -3.399 2.895 2.823) 5.282 3.590 ( -1.327 4.411 3.073) 5.537 3.676 ( -7.147 3.505 3.444) 8.673 3.752 ( -0.576 5.922 6.079) 8.506 3.821 ( -1.960 1.176 1.747) 2.876 3.940 ( 2.022 4.263 -5.062) 6.920 4.051 ( -1.969 17.870 0.414) 17.983 4.194 ( -7.308 9.034 1.702) 11.744 4.236 ( 4.197 9.816 1.405) 10.768 4.322 ( -1.352 1.955 5.568) 6.055 4.411 ( -3.815 4.278 3.828) 6.892 4.520 ( 3.583 0.354 -3.141) 4.778 4.735 ( 2.194 1.097 2.960) 3.844 4.825 ( 6.966 2.522 3.934) 8.388 4.941 ( 1.652 2.504 -0.890) 3.130 5.164 ( 3.692 7.617 -4.483) 9.578 5.221 ( 5.806 1.669 -0.844) 6.100 5.340 ( 3.668 -2.878 -0.406) 4.680 5.490 ( -3.036 -1.421 -8.285) 8.937 5.539 ( 9.103 -5.457 -3.707) 11.242 5.646 ( 2.854 -5.688 1.217) 6.479 5.737 ( 4.719 -6.692 -3.126) 8.765 5.831 ( -0.356 -7.532 -1.881) 7.771 5.876 ( -1.805 -6.430 2.726) 7.214 5.995 ( -2.419 -5.488 -0.950) 6.072 6.184 ( 1.450 0.913 0.353) 1.750 6.224 ( 1.000 -6.854 5.954) 9.134 6.427 ( -2.965 -2.514 0.627) 3.938 6.583 ( 3.936 1.731 -3.395) 5.478 6.725 ( -3.167 2.461 -2.403) 4.675 6.790 ( -1.571 0.862 1.910) 2.619 7.036 ( -1.755 -7.680 -0.765) 7.915 7.257 ( 2.397 5.382 -0.682) 5.931 7.412 ( 3.075 1.352 -0.560) 3.405 8.266 ( -2.738 6.063 -0.131) 6.654 8.559 ( -10.521 5.892 -0.492) 12.069 8.817 ( 1.400 5.776 2.856) 6.594 8.844 ( -1.422 5.641 2.047) 6.167 9.157 ( -5.625 -0.940 2.132) 6.089 9.247 ( -0.406 -2.024 1.708) 2.679 9.911 ( 0.617 9.018 -6.235) 10.981 10.156 ( 6.087 -4.953 -4.662) 9.127 10.199 ( -0.943 -8.158 2.028) 8.459 10.384 ( 2.803 -2.596 0.607) 3.868 10.660 ( 4.856 -6.110 4.133) 8.832 10.738 ( 0.095 -6.000 2.163) 6.378 10.844 ( 5.579 -17.168 -1.935) 18.156 11.157 ( 0.822 -7.043 -2.327) 7.463 11.388 ( -5.457 1.276 -2.251) 6.039 11.619 ( -2.998 -1.718 -0.230) 3.463 11.815 ( 0.230 1.609 2.384) 2.885 11.939 ( -1.676 -4.188 3.242) 5.556 12.255 ( 4.660 4.476 -0.450) 6.477 12.445 ( 1.896 -0.545 -2.908) 3.514 19.296 ( -1.240 1.466 3.088) 3.637 19.451 ( 0.709 -3.486 0.030) 3.558 19.760 ( -0.428 2.399 -1.331) 2.776 19.875 ( -3.353 -0.945 -1.355) 3.738 20.726 ( 6.339 -0.683 -0.757) 6.420 20.840 ( 8.507 -3.644 2.204) 9.514 21.024 ( 1.338 3.640 -2.227) 4.472 21.172 ( -2.971 -1.246 -0.453) 3.253 21.266 ( -6.492 1.601 2.037) 6.989 21.525 ( 1.719 6.231 0.062) 6.464 21.667 ( 1.255 -7.495 2.104) 7.885 22.178 ( 2.022 -10.930 -2.236) 11.338 22.903 ( 5.465 6.630 -0.199) 8.594 22.981 ( 5.918 4.040 1.002) 7.235 23.142 ( -7.541 9.120 0.187) 11.836 23.283 ( -7.707 5.240 -1.899) 9.511 ======================= Grid point 102 (50/104) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -1.430 5.816 6.284) 8.681 2.056 ( -4.720 3.168 4.058) 6.984 2.081 ( 3.906 5.575 1.641) 7.003 2.264 ( 6.316 10.227 0.150) 12.021 2.375 ( 3.855 3.566 -5.738) 7.778 2.513 ( -2.847 2.345 -13.101) 13.610 2.659 ( 0.587 0.955 -7.631) 7.713 2.788 ( 1.768 1.386 -4.092) 4.668 2.807 ( -5.191 -1.905 -1.964) 5.867 2.904 ( -5.572 7.551 -5.543) 10.899 2.999 ( 0.350 2.598 -0.921) 2.778 3.045 ( 2.012 2.806 3.900) 5.209 3.142 ( 4.236 0.998 3.260) 5.438 3.197 ( -4.159 16.242 5.624) 17.684 3.432 ( -1.322 2.385 3.966) 4.813 3.598 ( -2.853 1.973 2.580) 4.323 3.673 ( 2.666 4.201 6.477) 8.168 3.756 ( -3.944 1.578 7.663) 8.762 3.887 ( 3.937 4.736 5.130) 8.016 3.985 ( 6.212 0.967 -0.737) 6.330 4.023 ( -5.731 10.906 0.024) 12.320 4.051 ( -0.165 11.651 -1.832) 11.795 4.286 ( -5.668 14.792 0.634) 15.853 4.393 ( 3.829 -0.650 7.559) 8.498 4.414 ( -2.584 5.616 8.648) 10.631 4.533 ( 2.366 -1.226 -4.583) 5.301 4.767 ( -0.400 3.423 3.380) 4.828 4.889 ( -6.013 3.530 0.755) 7.013 4.913 ( -1.106 1.287 -0.769) 1.863 5.155 ( 1.906 2.929 -6.475) 7.357 5.277 ( 0.919 0.719 -3.467) 3.658 5.409 ( 3.701 -1.018 -2.225) 4.437 5.416 ( 3.567 -2.565 -1.763) 4.734 5.625 ( 2.682 -1.652 -2.577) 4.070 5.685 ( -1.090 -6.270 -4.473) 7.778 5.747 ( 2.679 -7.325 -4.329) 8.921 5.865 ( 4.503 -7.294 2.986) 9.077 5.897 ( 0.798 -7.473 1.792) 7.726 5.977 ( 1.363 -3.520 0.919) 3.885 6.083 ( -10.498 -5.518 1.902) 12.011 6.293 ( 0.389 3.039 1.983) 3.650 6.400 ( -0.908 -1.776 0.200) 2.005 6.598 ( -1.435 2.151 -2.962) 3.932 6.650 ( -1.313 4.213 -4.036) 5.980 6.802 ( 2.044 -1.905 1.140) 3.018 6.991 ( -1.189 -8.080 -1.412) 8.288 7.303 ( 2.051 4.641 1.347) 5.250 7.436 ( 0.504 1.535 -0.967) 1.883 8.258 ( 1.064 5.422 1.698) 5.780 8.432 ( -1.732 6.506 -3.035) 7.385 8.832 ( -2.329 4.072 4.285) 6.354 8.893 ( 2.639 3.886 4.303) 6.371 9.112 ( -1.044 1.029 1.473) 2.078 9.251 ( -0.748 -0.634 1.206) 1.555 9.862 ( 0.262 7.456 -6.547) 9.926 10.152 ( 0.003 -9.734 -6.307) 11.599 10.248 ( 2.824 -0.489 3.024) 4.166 10.439 ( 1.906 -5.783 2.557) 6.604 10.675 ( -3.446 -13.935 0.685) 14.371 10.727 ( -4.531 -1.542 0.601) 4.824 10.922 ( 3.884 -15.725 -0.903) 16.223 11.200 ( 3.276 2.620 -1.186) 4.359 11.302 ( -0.406 -5.282 0.616) 5.333 11.553 ( -2.122 -1.832 -2.859) 4.004 11.860 ( 1.247 0.923 3.785) 4.091 11.924 ( -2.551 -3.763 1.937) 4.942 12.294 ( -0.019 3.783 -0.497) 3.816 12.444 ( 0.979 0.527 -3.159) 3.349 19.295 ( -1.845 1.558 2.766) 3.672 19.459 ( 0.157 -3.665 0.144) 3.672 19.754 ( 0.925 1.818 -1.357) 2.450 19.834 ( 0.109 -0.628 -1.483) 1.614 20.802 ( 1.788 -0.867 0.785) 2.137 20.900 ( -4.151 -3.032 -1.298) 5.302 21.064 ( 4.819 2.868 0.447) 5.626 21.127 ( 0.606 -0.640 -1.096) 1.407 21.206 ( -3.114 2.873 3.654) 5.596 21.505 ( -1.208 7.616 -3.651) 8.532 21.737 ( 1.297 -9.394 6.292) 11.381 22.168 ( -0.069 -10.901 -3.936) 11.590 22.994 ( 1.533 8.733 0.623) 8.888 23.030 ( -2.477 6.362 -0.270) 6.833 23.058 ( -1.061 6.349 1.100) 6.530 23.195 ( 2.971 2.906 -1.969) 4.599 ======================= Grid point 103 (51/104) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.384 6.302 0.677) 6.771 2.018 ( -1.979 10.698 0.824) 10.911 2.041 ( -9.179 5.404 -2.382) 10.915 2.308 ( 4.168 1.927 -4.971) 6.767 2.443 ( 4.201 2.693 1.046) 5.099 2.492 ( 2.499 0.949 -1.631) 3.132 2.614 ( 2.016 1.070 -4.777) 5.295 2.712 ( 3.979 -4.464 -7.139) 9.313 2.750 ( -1.720 0.849 -3.747) 4.210 2.840 ( 3.963 3.341 0.606) 5.219 3.033 ( 1.387 6.801 1.374) 7.076 3.088 ( 4.145 4.372 1.196) 6.142 3.168 ( -3.298 20.810 3.911) 21.430 3.283 ( 4.156 2.812 3.425) 6.076 3.426 ( -1.972 3.288 -0.230) 3.841 3.606 ( -0.081 1.246 3.704) 3.909 3.734 ( -0.245 4.425 2.713) 5.196 3.769 ( -3.101 3.797 8.548) 9.854 3.924 ( -0.291 4.473 -1.703) 4.795 4.033 ( 2.936 7.197 4.162) 8.817 4.050 ( 2.016 4.648 0.512) 5.092 4.123 ( -3.025 11.046 3.727) 12.044 4.225 ( 8.330 11.577 1.701) 14.363 4.385 ( -5.757 4.096 1.308) 7.186 4.459 ( -2.329 -2.624 1.971) 4.024 4.591 ( 3.522 4.764 2.358) 6.376 4.718 ( -7.255 -3.384 -0.819) 8.047 4.792 ( -0.939 5.078 3.955) 6.505 4.874 ( -4.395 4.992 2.423) 7.078 5.145 ( 2.343 1.575 -4.152) 5.021 5.249 ( 0.273 0.048 -4.932) 4.940 5.423 ( -2.952 -4.643 -0.017) 5.502 5.442 ( 0.467 -2.730 -1.883) 3.349 5.566 ( -4.611 -4.522 -3.409) 7.303 5.613 ( -2.348 -2.748 -2.852) 4.604 5.740 ( 1.405 -4.616 -6.824) 8.357 5.869 ( -6.581 -4.842 -1.058) 8.239 5.936 ( 1.737 -7.023 -0.150) 7.236 5.948 ( -3.112 -4.052 2.879) 5.864 6.079 ( 3.157 -2.304 4.439) 5.914 6.306 ( -1.477 -0.124 4.845) 5.066 6.365 ( 0.071 -3.649 -1.997) 4.160 6.573 ( -0.171 3.134 -5.212) 6.084 6.609 ( 3.251 5.746 -1.572) 6.787 6.799 ( -3.394 -5.214 1.240) 6.344 7.011 ( 3.905 -6.828 -2.302) 8.196 7.326 ( -0.648 4.588 0.542) 4.665 7.421 ( -1.568 2.327 0.091) 2.808 8.306 ( 2.055 5.670 0.928) 6.102 8.466 ( 8.587 8.051 -2.306) 11.995 8.818 ( -2.938 1.399 2.941) 4.386 8.993 ( 3.229 2.483 5.873) 7.147 9.147 ( 2.583 1.293 3.154) 4.277 9.247 ( 0.406 0.846 -0.187) 0.957 9.810 ( 0.410 5.549 -6.685) 8.698 10.076 ( -3.061 -7.923 -4.503) 9.614 10.309 ( 2.016 -3.412 -0.449) 3.989 10.489 ( 0.330 -4.515 4.513) 6.392 10.593 ( -5.270 -14.265 -0.956) 15.238 10.643 ( -4.686 -2.634 1.348) 5.542 10.901 ( -5.605 -10.950 2.089) 12.478 11.212 ( 2.214 3.366 -6.256) 7.441 11.392 ( 5.215 -9.181 4.483) 11.471 11.512 ( 0.882 -1.801 -4.447) 4.878 11.889 ( -1.865 -0.927 2.315) 3.114 11.921 ( 0.674 -0.698 3.718) 3.843 12.249 ( -4.333 4.411 -0.176) 6.186 12.421 ( -0.244 0.134 -3.852) 3.863 19.282 ( -2.229 1.693 2.590) 3.813 19.458 ( -0.624 -3.884 0.493) 3.964 19.763 ( 1.352 1.874 -1.051) 2.539 19.853 ( 3.767 -1.187 -2.129) 4.487 20.766 ( -8.276 -0.331 -1.404) 8.401 20.796 ( -3.992 -1.128 2.528) 4.858 21.039 ( -4.682 1.658 -1.804) 5.284 21.188 ( 2.184 -1.715 -0.367) 2.801 21.263 ( 6.401 2.531 2.924) 7.479 21.459 ( -0.494 6.284 -1.687) 6.526 21.798 ( -0.768 -8.615 6.452) 10.791 22.107 ( -2.238 -10.983 -5.521) 12.495 22.916 ( -5.358 5.504 -0.090) 7.681 22.952 ( -6.525 5.169 0.442) 8.336 23.146 ( 7.723 9.474 0.257) 12.225 23.322 ( 10.774 5.135 -0.939) 11.972 ======================= Grid point 104 (52/104) ======================= q-point: (-0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -14.217 13.475 -7.898) 21.121 1.833 ( -14.455 10.708 2.155) 18.118 2.058 ( 5.108 8.399 -4.172) 10.679 2.323 ( 1.144 -1.638 -2.077) 2.882 2.386 ( -3.949 -4.361 -7.176) 9.280 2.563 ( 3.839 3.728 5.073) 7.374 2.617 ( 1.702 -3.075 -2.503) 4.315 2.770 ( 7.375 -0.379 0.424) 7.396 2.867 ( 5.902 1.161 -1.306) 6.155 2.902 ( -0.209 9.920 2.093) 10.141 3.022 ( 0.433 7.523 -0.345) 7.543 3.138 ( -2.735 19.921 4.616) 20.631 3.255 ( 4.598 3.764 -0.624) 5.975 3.281 ( 0.287 5.640 1.346) 5.806 3.449 ( 6.334 1.329 1.578) 6.662 3.626 ( -1.642 -1.542 3.994) 4.585 3.734 ( -1.740 6.664 1.040) 6.965 3.794 ( -0.794 6.537 5.179) 8.377 3.945 ( 2.492 3.026 -1.408) 4.165 3.994 ( -1.940 8.532 -1.963) 8.967 4.031 ( -7.090 10.179 1.901) 12.550 4.172 ( 5.758 7.435 2.197) 9.657 4.269 ( -6.966 -2.726 -1.382) 7.606 4.402 ( -2.267 6.596 -1.650) 7.167 4.507 ( 9.320 -3.736 3.486) 10.629 4.549 ( 2.591 4.987 6.722) 8.761 4.757 ( -0.751 2.632 4.399) 5.181 4.807 ( 1.001 4.300 0.538) 4.448 4.842 ( -0.632 5.119 2.678) 5.812 5.121 ( -4.182 1.225 -2.805) 5.182 5.206 ( 1.782 0.739 -4.902) 5.268 5.321 ( -7.500 -2.578 -0.016) 7.931 5.414 ( -2.386 -4.625 -0.706) 5.252 5.462 ( -4.344 -9.463 -0.415) 10.420 5.562 ( -2.803 1.402 -1.561) 3.501 5.643 ( -3.306 -2.071 -5.297) 6.578 5.800 ( 1.394 -1.949 -3.145) 3.954 5.943 ( -1.125 -4.878 0.729) 5.059 5.961 ( 0.758 -7.100 2.387) 7.528 6.063 ( -4.892 -0.048 0.524) 4.920 6.319 ( -1.406 -0.671 1.374) 2.078 6.381 ( -0.288 -0.365 -1.836) 1.894 6.583 ( 6.904 -3.001 -2.661) 7.984 6.681 ( 4.605 1.517 0.102) 4.850 6.753 ( -2.705 -8.105 1.884) 8.750 7.026 ( -0.255 -5.596 -2.251) 6.037 7.300 ( -1.498 5.504 -1.065) 5.803 7.386 ( -2.845 3.092 0.724) 4.264 8.337 ( 2.106 7.110 -1.405) 7.547 8.658 ( 12.948 8.021 1.377) 15.293 8.783 ( -3.163 -0.696 1.207) 3.457 9.056 ( -1.815 0.222 4.596) 4.947 9.209 ( 0.612 0.004 1.712) 1.818 9.334 ( 9.346 3.293 2.946) 10.338 9.772 ( 2.642 4.659 -6.800) 8.656 9.979 ( -4.469 -7.451 -2.685) 9.094 10.272 ( -3.835 -8.213 -4.372) 10.064 10.503 ( -3.813 -15.715 -0.852) 16.193 10.526 ( -1.081 -0.146 3.551) 3.715 10.611 ( -2.073 1.757 5.383) 6.030 10.847 ( -2.282 -10.946 4.377) 12.007 11.147 ( -2.153 0.400 -8.573) 8.849 11.483 ( -0.397 -1.838 -3.942) 4.368 11.507 ( 2.621 -8.046 3.989) 9.355 11.891 ( -0.256 0.962 2.025) 2.257 11.960 ( 0.055 -1.211 3.458) 3.664 12.164 ( -5.474 5.162 0.974) 7.587 12.373 ( -0.301 -0.191 -4.949) 4.962 19.266 ( -2.288 1.765 2.697) 3.953 19.448 ( -1.229 -4.033 1.037) 4.342 19.783 ( 1.738 2.355 -0.355) 2.948 19.918 ( 6.111 -2.252 -3.032) 7.184 20.610 ( -8.269 0.385 -0.942) 8.331 20.729 ( -6.514 -2.363 3.115) 7.598 20.899 ( -8.738 2.914 -2.796) 9.626 21.207 ( -0.158 -3.920 -0.013) 3.923 21.364 ( 2.249 3.628 1.136) 4.417 21.493 ( 4.919 2.367 0.851) 5.525 21.819 ( -2.545 -7.715 4.567) 9.320 22.005 ( -3.348 -9.620 -5.589) 11.619 22.827 ( -4.547 4.720 -0.636) 6.585 22.859 ( -4.909 3.871 0.888) 6.315 23.286 ( 7.967 11.292 0.245) 13.821 23.529 ( 14.292 7.031 -1.164) 15.970 ======================= Grid point 105 (53/104) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -13.547 18.981 -1.940) 23.400 1.586 ( -16.584 18.092 4.159) 24.893 2.070 ( 0.948 6.204 -5.306) 8.219 2.234 ( -6.297 -4.189 -4.872) 8.996 2.372 ( 3.660 -3.976 1.102) 5.515 2.586 ( -2.347 -4.445 0.935) 5.112 2.636 ( -11.381 20.883 2.965) 23.967 2.731 ( -0.933 9.304 -0.214) 9.353 2.869 ( 1.618 -1.604 -3.284) 3.997 3.005 ( 3.904 5.794 7.760) 10.441 3.073 ( 4.138 6.422 -8.934) 11.755 3.151 ( -1.849 -2.331 1.970) 3.568 3.182 ( 1.501 14.765 5.525) 15.836 3.462 ( 7.360 2.213 2.438) 8.063 3.566 ( 3.088 1.253 -0.337) 3.350 3.605 ( -3.169 -3.858 2.934) 5.791 3.715 ( 0.973 6.939 -1.960) 7.276 3.836 ( 0.634 7.516 0.483) 7.558 3.895 ( -6.186 3.567 6.074) 9.374 3.952 ( 2.267 13.046 0.545) 13.253 4.076 ( 6.572 3.820 -1.546) 7.757 4.138 ( -5.515 -6.170 0.180) 8.278 4.304 ( 5.373 5.532 0.989) 7.775 4.355 ( 1.896 13.477 -3.116) 13.962 4.508 ( -2.156 5.342 -0.296) 5.768 4.703 ( -3.801 -3.270 -0.325) 5.024 4.818 ( -0.867 6.119 -4.499) 7.644 4.850 ( 1.397 7.689 5.934) 9.812 4.902 ( 11.118 -2.319 4.958) 12.392 4.985 ( -4.164 2.546 -0.094) 4.882 5.183 ( -2.365 0.651 -2.644) 3.607 5.248 ( -0.049 0.970 -0.389) 1.046 5.315 ( -3.477 -8.119 -4.014) 9.701 5.457 ( -2.349 -4.034 0.954) 4.765 5.476 ( -1.632 -2.123 3.473) 4.385 5.615 ( -0.223 -4.438 -0.352) 4.457 5.798 ( 1.205 1.676 -4.041) 4.538 5.920 ( -1.606 -4.117 -0.211) 4.424 5.976 ( -2.082 0.675 0.740) 2.311 6.049 ( 4.656 -8.441 2.184) 9.885 6.254 ( -5.127 -0.399 -0.608) 5.178 6.346 ( -1.878 -0.452 -2.547) 3.197 6.614 ( 0.023 2.261 -2.937) 3.706 6.712 ( -3.051 -9.876 2.201) 10.568 6.828 ( 8.015 -10.682 0.870) 13.383 6.978 ( -2.818 -3.804 -1.493) 4.964 7.273 ( 0.283 6.047 -2.077) 6.400 7.340 ( -2.611 3.573 -0.096) 4.427 8.367 ( 2.922 7.375 -1.063) 8.004 8.710 ( -4.829 2.132 -0.149) 5.281 8.915 ( 11.833 2.142 4.708) 12.914 9.035 ( -3.742 -3.270 3.719) 6.207 9.224 ( 0.643 1.485 -0.377) 1.662 9.514 ( 5.799 0.259 3.143) 6.601 9.811 ( 7.392 2.853 -6.322) 10.137 9.881 ( -3.657 -2.034 0.044) 4.185 10.154 ( -3.824 -4.389 -4.343) 7.263 10.451 ( -3.028 -15.880 0.822) 16.187 10.497 ( -1.626 -2.823 0.345) 3.276 10.660 ( 1.286 4.811 4.067) 6.430 10.904 ( 2.122 -11.363 7.213) 13.625 11.007 ( -4.570 -1.960 -9.446) 10.675 11.426 ( -3.291 -1.710 -1.380) 3.957 11.523 ( -4.104 -5.745 1.738) 7.271 11.903 ( -0.299 1.104 2.505) 2.754 11.996 ( 1.700 -1.621 1.754) 2.932 12.078 ( -5.838 5.269 1.173) 7.951 12.351 ( 2.956 0.799 -4.715) 5.622 19.252 ( -2.132 1.748 2.960) 4.045 19.437 ( -1.381 -4.211 1.752) 4.765 19.823 ( 2.323 2.619 1.957) 4.010 19.998 ( 6.022 -2.771 -3.428) 7.463 20.482 ( -5.496 0.030 -0.361) 5.508 20.610 ( -9.419 -5.532 -0.932) 10.963 20.732 ( -8.101 5.530 0.709) 9.834 21.166 ( -4.806 -7.844 -0.729) 9.228 21.391 ( 0.077 4.278 2.091) 4.762 21.570 ( 1.578 -0.897 -0.258) 1.833 21.788 ( -1.039 -4.152 -1.376) 4.495 21.938 ( -1.246 -6.343 -0.246) 6.468 22.756 ( -3.097 4.408 -0.369) 5.400 22.796 ( -3.255 3.116 0.657) 4.553 23.414 ( 6.553 12.751 0.143) 14.337 23.786 ( 17.455 6.519 -3.645) 18.986 ======================= Grid point 106 (54/104) ======================= q-point: (-0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -7.003 23.021 9.399) 25.833 1.370 ( -13.478 23.473 7.844) 28.181 2.004 ( -3.507 5.634 -6.760) 9.473 2.112 ( -3.285 -3.493 3.245) 5.790 2.403 ( -13.137 34.841 8.421) 38.176 2.451 ( 2.334 -0.845 1.037) 2.690 2.565 ( -2.362 -10.133 2.684) 10.745 2.776 ( 2.908 -2.196 -1.219) 3.842 2.825 ( 0.257 1.015 -7.934) 8.003 3.039 ( 3.147 0.995 -7.658) 8.339 3.102 ( 0.094 18.331 7.380) 19.761 3.148 ( -2.372 -5.584 3.435) 6.971 3.321 ( 5.027 6.805 5.386) 10.029 3.499 ( -3.430 -2.863 4.414) 6.280 3.566 ( 0.518 -0.352 -1.540) 1.662 3.642 ( 2.745 -1.960 -1.202) 3.581 3.708 ( -0.211 10.644 -1.056) 10.699 3.811 ( -0.999 2.703 -2.288) 3.680 3.887 ( -1.895 7.838 5.628) 9.834 4.016 ( -5.619 1.806 1.188) 6.020 4.088 ( 9.370 10.883 -0.323) 14.364 4.172 ( 1.510 5.530 -1.364) 5.892 4.335 ( -5.513 5.502 -2.541) 8.192 4.380 ( 6.233 8.078 -3.673) 10.844 4.488 ( 4.949 4.940 -2.788) 7.528 4.660 ( -3.358 2.366 -10.746) 11.505 4.682 ( -1.700 0.621 -0.540) 1.888 4.820 ( -4.767 9.109 1.433) 10.380 4.946 ( 0.348 11.789 3.841) 12.404 5.112 ( 0.161 1.264 -2.291) 2.622 5.174 ( -0.106 -0.576 -1.337) 1.459 5.253 ( -0.929 -8.149 -1.650) 8.367 5.289 ( 7.242 -6.140 5.843) 11.149 5.463 ( 0.978 0.249 2.868) 3.041 5.529 ( 3.522 -0.758 2.085) 4.162 5.583 ( -1.302 -6.785 -0.257) 6.914 5.774 ( -2.751 0.958 0.804) 3.022 5.871 ( -1.654 -6.308 -3.226) 7.275 6.009 ( 4.516 -1.402 2.576) 5.384 6.104 ( -1.878 -5.577 -1.741) 6.137 6.217 ( -0.382 -2.832 3.505) 4.523 6.256 ( -4.841 -2.512 -1.325) 5.613 6.589 ( 0.607 3.496 -4.326) 5.595 6.676 ( -2.685 -8.590 3.650) 9.712 6.912 ( -2.163 -3.444 -1.426) 4.310 6.930 ( 3.556 -13.602 -1.605) 14.150 7.270 ( 0.790 5.644 -2.380) 6.176 7.306 ( -0.330 3.845 -1.023) 3.992 8.425 ( 4.150 5.889 0.435) 7.218 8.618 ( -4.948 3.321 -0.254) 5.965 9.009 ( -2.244 -7.686 2.925) 8.524 9.097 ( 0.923 -6.312 3.264) 7.166 9.233 ( 2.901 7.928 -0.019) 8.442 9.589 ( 1.554 -4.569 4.709) 6.743 9.782 ( -0.998 -4.449 -0.116) 4.561 9.959 ( 4.810 8.810 -2.386) 10.317 10.100 ( 2.096 2.541 -3.722) 4.970 10.389 ( -2.507 -5.187 -1.557) 5.968 10.556 ( 5.956 -10.814 3.803) 12.918 10.670 ( -2.363 3.281 -2.762) 4.897 10.846 ( -4.307 -4.864 -7.938) 10.258 11.005 ( 1.322 -11.915 6.743) 13.754 11.349 ( -4.463 -2.562 -1.283) 5.303 11.423 ( -6.584 -4.138 -0.211) 7.779 11.933 ( 0.617 0.297 3.472) 3.539 11.994 ( -4.440 4.520 2.076) 6.667 12.042 ( 1.736 1.509 0.357) 2.328 12.382 ( 4.485 0.573 -4.397) 6.307 19.244 ( -1.887 1.720 3.118) 4.031 19.429 ( -1.542 -4.453 2.010) 5.123 19.899 ( 1.571 1.207 6.953) 7.230 20.055 ( 3.469 -1.840 -2.230) 4.516 20.423 ( -5.867 -1.058 -2.090) 6.317 20.431 ( -2.429 -1.703 0.240) 2.976 20.638 ( -4.595 3.394 1.195) 5.836 21.029 ( -7.938 -9.222 -3.520) 12.667 21.414 ( -0.290 3.068 3.748) 4.852 21.551 ( -1.441 -0.077 0.297) 1.473 21.801 ( 3.071 -1.027 -2.089) 3.853 21.927 ( -0.932 -4.574 0.644) 4.712 22.716 ( -1.414 4.164 -0.011) 4.398 22.757 ( -1.803 2.843 0.256) 3.376 23.505 ( 3.679 13.920 0.279) 14.400 24.017 ( 14.421 2.675 -10.241) 17.889 ======================= Grid point 107 (55/104) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.216 21.033 9.786) 23.230 1.781 ( -2.377 22.974 6.731) 24.057 1.993 ( 2.848 -5.447 4.981) 7.912 2.120 ( 3.014 -3.351 4.790) 6.577 2.196 ( -1.734 -12.516 1.990) 12.791 2.270 ( -0.962 -14.794 5.535) 15.825 2.728 ( 1.234 3.816 -6.712) 7.819 2.819 ( 2.999 -3.441 -9.170) 10.243 3.023 ( 1.011 2.097 -0.290) 2.346 3.034 ( -0.789 -0.999 0.624) 1.418 3.101 ( 1.089 20.694 3.821) 21.072 3.356 ( -3.751 1.451 4.915) 6.351 3.423 ( -4.852 -2.222 6.158) 8.148 3.438 ( 1.176 -6.847 3.809) 7.923 3.665 ( 1.061 12.364 -3.450) 12.880 3.740 ( 1.133 6.047 -3.748) 7.204 3.807 ( -1.830 6.416 0.938) 6.738 3.829 ( -1.430 4.456 -0.792) 4.746 3.942 ( -2.542 -2.596 1.434) 3.906 4.011 ( -3.630 -7.502 -1.379) 8.448 4.105 ( -3.752 8.581 -1.897) 9.555 4.328 ( 0.533 -6.410 -5.910) 8.735 4.443 ( 4.589 2.194 -5.061) 7.176 4.472 ( 2.036 1.204 -9.195) 9.494 4.503 ( 3.810 5.727 3.816) 7.866 4.589 ( 4.120 -1.786 1.431) 4.713 4.889 ( 2.465 4.209 5.074) 7.038 4.905 ( -2.409 1.160 1.295) 2.971 5.071 ( -6.930 4.612 -7.381) 11.125 5.123 ( -3.168 -1.979 -5.406) 6.571 5.199 ( 0.736 12.316 0.209) 12.340 5.318 ( 2.975 5.687 0.173) 6.420 5.348 ( 0.421 3.122 0.888) 3.273 5.481 ( 0.921 -4.941 1.029) 5.130 5.506 ( -1.634 4.973 1.931) 5.579 5.602 ( -2.004 -4.751 -4.317) 6.725 5.707 ( -3.354 1.531 1.433) 3.955 5.777 ( 3.286 -0.143 5.720) 6.599 5.978 ( 0.208 1.326 -1.291) 1.862 6.010 ( -3.136 -2.642 -1.794) 4.476 6.073 ( 2.170 -4.752 -0.107) 5.225 6.296 ( 0.026 3.149 0.348) 3.168 6.360 ( 4.393 -18.791 1.115) 19.330 6.506 ( 0.900 -12.506 6.611) 14.174 6.800 ( -1.080 0.680 2.545) 2.847 6.832 ( -0.086 -1.722 -1.353) 2.191 7.340 ( 0.341 3.504 -3.370) 4.873 7.370 ( 1.284 0.928 -3.228) 3.596 8.575 ( -1.122 5.634 3.258) 6.604 8.656 ( -0.683 0.819 2.669) 2.874 8.853 ( -0.263 -2.779 0.320) 2.810 8.911 ( -2.424 -5.116 -2.347) 6.129 9.457 ( 2.610 5.465 3.595) 7.042 9.567 ( 3.035 -6.510 6.818) 9.904 9.821 ( -2.506 9.148 -2.744) 9.874 10.066 ( -0.770 -8.159 -4.217) 9.217 10.126 ( 0.023 1.208 -1.119) 1.647 10.243 ( 4.170 -2.189 -3.077) 5.626 10.453 ( -5.959 2.268 -0.115) 6.377 10.587 ( -0.325 -8.210 -5.001) 9.619 10.848 ( 5.216 4.974 2.116) 7.511 10.911 ( 0.099 -1.487 2.549) 2.953 11.212 ( -0.844 -1.905 -3.047) 3.692 11.247 ( -1.984 -4.702 -2.474) 5.671 11.967 ( -0.409 -0.072 3.601) 3.625 11.977 ( -1.298 -1.091 4.935) 5.218 12.200 ( 0.445 8.330 -1.867) 8.548 12.339 ( 0.923 -5.338 -3.438) 6.416 19.284 ( -1.508 2.513 3.102) 4.268 19.342 ( -1.628 -3.337 2.800) 4.651 19.998 ( 0.102 3.442 1.539) 3.771 20.058 ( 1.953 -2.464 -0.006) 3.144 20.417 ( 3.568 0.671 2.204) 4.247 20.432 ( 1.675 -0.757 2.313) 2.954 20.622 ( -2.622 3.807 -2.498) 5.254 20.734 ( -1.908 -7.337 -3.766) 8.465 21.490 ( -0.511 2.920 3.126) 4.308 21.543 ( 0.402 -2.218 2.808) 3.601 21.810 ( 0.202 0.648 -2.224) 2.326 21.844 ( 0.033 -2.655 -1.856) 3.240 22.770 ( 0.063 2.011 0.128) 2.016 22.780 ( -0.141 0.948 -0.042) 0.960 23.810 ( 0.150 12.052 -1.246) 12.118 23.998 ( 0.695 -6.527 -6.272) 9.078 ======================= Grid point 108 (56/104) ======================= q-point: ( 0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 6.611 19.486 6.287) 21.516 1.883 ( 5.447 18.367 10.949) 22.066 2.132 ( 7.352 -7.630 3.470) 11.149 2.228 ( 3.824 -1.736 2.802) 5.049 2.254 ( 6.382 -12.142 2.028) 13.866 2.337 ( 1.597 -6.498 7.644) 10.159 2.677 ( 0.490 2.104 -8.622) 8.888 2.760 ( -0.246 -4.569 -10.702) 11.639 2.994 ( -4.625 -0.315 1.035) 4.750 3.007 ( -4.427 -1.786 3.370) 5.843 3.175 ( 1.355 16.497 3.016) 16.825 3.327 ( -3.310 0.000 3.462) 4.790 3.409 ( -1.913 0.489 5.276) 5.633 3.461 ( -0.589 -2.918 -5.470) 6.227 3.614 ( -3.058 10.543 2.053) 11.167 3.736 ( 2.604 1.057 -0.287) 2.825 3.789 ( -1.776 10.479 1.888) 10.795 3.830 ( -1.265 0.013 -2.243) 2.576 3.893 ( -2.101 -0.630 2.604) 3.405 4.006 ( 3.289 -1.846 0.937) 3.886 4.060 ( 1.105 3.793 0.779) 4.027 4.278 ( 0.821 -5.126 -6.308) 8.169 4.407 ( 0.621 6.349 -7.769) 10.053 4.460 ( 0.826 1.017 -0.056) 1.312 4.636 ( 6.114 5.280 -1.669) 8.249 4.683 ( 2.013 2.269 0.982) 3.188 4.815 ( -7.445 10.622 -6.534) 14.524 4.885 ( -3.418 3.327 -1.480) 4.994 4.958 ( -0.389 -0.451 4.447) 4.486 4.996 ( -5.384 -5.168 -2.791) 7.968 5.221 ( 0.868 8.700 -0.274) 8.747 5.330 ( -2.644 3.158 0.146) 4.121 5.376 ( 2.442 7.135 -0.441) 7.555 5.429 ( -6.066 0.341 3.395) 6.960 5.512 ( 1.673 0.111 1.639) 2.345 5.560 ( 0.052 -3.336 -0.905) 3.457 5.683 ( 0.608 -5.307 -1.185) 5.472 5.762 ( -6.977 -11.877 -2.770) 14.050 5.957 ( -1.274 8.337 -3.774) 9.239 6.000 ( 3.626 4.696 3.338) 6.807 6.146 ( 2.599 -10.066 0.536) 10.410 6.273 ( 0.854 -9.798 -3.943) 10.596 6.517 ( 7.065 -3.374 6.860) 10.409 6.613 ( 3.309 -10.007 7.608) 12.999 6.789 ( -0.152 2.968 -0.987) 3.131 6.850 ( 2.853 -3.393 -1.103) 4.568 7.313 ( 0.026 3.698 -3.266) 4.934 7.354 ( 0.478 -0.076 -3.273) 3.308 8.572 ( -2.073 7.414 3.131) 8.311 8.690 ( 1.069 -1.047 3.279) 3.604 8.876 ( 2.000 -3.290 -0.324) 3.864 8.891 ( 1.983 -1.911 0.190) 2.761 9.487 ( -4.497 8.543 3.089) 10.136 9.620 ( -4.788 -3.681 0.890) 6.104 9.784 ( 2.477 1.830 2.689) 4.089 9.964 ( -3.228 -14.336 -6.586) 16.104 10.136 ( 1.226 6.764 -1.420) 7.019 10.294 ( 5.086 -1.016 -3.437) 6.222 10.338 ( -6.195 3.268 2.652) 7.489 10.530 ( -1.302 -10.273 -2.122) 10.570 10.807 ( -6.308 8.950 -2.117) 11.152 10.991 ( 2.084 -7.772 0.141) 8.048 11.253 ( 8.560 0.258 -1.538) 8.701 11.309 ( 9.142 -4.261 -0.272) 10.089 11.970 ( -2.599 0.471 3.309) 4.234 11.987 ( -3.122 -1.149 4.957) 5.970 12.193 ( 0.935 7.485 -1.836) 7.764 12.320 ( 0.841 -5.178 -3.296) 6.195 19.289 ( -0.907 2.371 2.988) 3.921 19.343 ( -0.815 -3.015 2.403) 3.941 19.986 ( -2.555 4.618 0.912) 5.356 20.071 ( -1.309 -3.981 0.829) 4.272 20.449 ( 0.289 1.559 0.080) 1.588 20.488 ( 0.938 -2.163 0.727) 2.467 20.671 ( 10.075 3.442 0.534) 10.661 20.773 ( 9.541 -6.604 -3.708) 12.181 21.504 ( -1.416 3.432 3.023) 4.788 21.572 ( -0.711 -3.350 2.655) 4.333 21.772 ( -1.690 1.710 -2.551) 3.506 21.831 ( 0.787 -4.137 -1.440) 4.451 22.787 ( 1.807 1.712 0.257) 2.502 22.791 ( 1.564 1.305 -0.128) 2.041 23.757 ( -4.996 10.189 -0.883) 11.382 23.894 ( -5.980 -3.184 -5.851) 8.952 ======================= Grid point 109 (57/104) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 6.077 16.282 3.850) 17.800 2.137 ( 9.796 11.829 14.461) 21.095 2.241 ( 1.750 -8.601 -0.609) 8.798 2.333 ( 7.532 1.729 -2.273) 8.055 2.373 ( 5.309 3.264 -2.816) 6.839 2.419 ( 2.664 -6.869 8.715) 11.412 2.575 ( -4.497 -2.312 -6.889) 8.546 2.638 ( -2.620 -6.315 -9.337) 11.572 2.929 ( -5.195 -0.945 5.585) 7.686 2.955 ( -4.884 -3.755 4.075) 7.386 3.147 ( -2.614 7.402 -5.598) 9.642 3.269 ( -4.325 -5.310 -5.244) 8.626 3.362 ( -3.167 5.768 -0.185) 6.583 3.432 ( -2.719 -1.609 0.869) 3.277 3.639 ( -1.179 12.955 8.343) 15.454 3.692 ( -2.774 8.600 -1.073) 9.100 3.792 ( -1.112 -2.878 3.459) 4.635 3.822 ( 0.227 -3.495 -0.611) 3.555 3.915 ( -0.123 11.087 1.806) 11.234 4.099 ( 2.693 -2.005 1.730) 3.777 4.179 ( 10.384 2.405 5.336) 11.920 4.296 ( 3.654 -4.332 -0.645) 5.704 4.351 ( -1.145 3.689 -2.208) 4.449 4.442 ( -7.244 -3.351 1.204) 8.072 4.551 ( -2.714 11.298 -4.788) 12.567 4.643 ( -4.120 3.806 -0.682) 5.650 4.745 ( 4.212 15.391 -9.286) 18.462 4.854 ( -1.267 6.381 -0.919) 6.570 4.961 ( 2.901 -1.272 -0.266) 3.179 5.022 ( 3.582 -3.234 3.843) 6.169 5.211 ( -3.012 5.520 1.414) 6.446 5.245 ( -1.961 5.970 -3.675) 7.280 5.392 ( -2.056 0.223 0.732) 2.194 5.413 ( 1.096 -4.695 1.923) 5.190 5.527 ( -0.730 -6.072 -2.820) 6.734 5.599 ( 5.643 -1.436 -0.107) 5.824 5.696 ( 2.358 -4.193 -0.987) 4.911 5.709 ( 2.874 -1.719 1.823) 3.813 5.871 ( -2.623 3.196 -4.796) 6.332 6.027 ( -4.008 -7.703 0.055) 8.683 6.158 ( -0.233 -3.293 0.511) 3.340 6.289 ( 1.128 -11.377 0.891) 11.467 6.676 ( 4.720 0.459 5.541) 7.293 6.714 ( 1.747 -3.045 5.066) 6.164 6.780 ( 0.724 4.640 -3.159) 5.659 6.895 ( 3.457 -5.943 -2.302) 7.250 7.298 ( 1.382 3.610 -2.392) 4.545 7.344 ( 1.626 -0.680 -2.624) 3.161 8.558 ( -2.638 9.492 2.216) 10.098 8.730 ( -0.434 -4.908 3.487) 6.036 8.912 ( 1.868 1.771 0.787) 2.692 8.952 ( 2.248 -0.789 2.559) 3.496 9.353 ( -9.930 5.875 -0.765) 11.563 9.449 ( -11.442 -0.665 -3.617) 12.019 9.885 ( 4.781 -2.492 2.042) 5.766 9.934 ( 2.876 -7.595 0.052) 8.121 10.144 ( 2.420 2.990 -3.310) 5.075 10.296 ( -1.509 -3.513 2.822) 4.752 10.356 ( 5.403 2.550 -4.150) 7.274 10.513 ( -1.077 -9.837 1.531) 10.014 10.705 ( -2.308 11.733 -1.414) 12.041 10.973 ( -0.542 -13.916 -3.824) 14.443 11.421 ( 8.472 2.063 1.335) 8.821 11.470 ( 7.988 -2.611 1.115) 8.477 11.934 ( -4.430 0.651 2.297) 5.033 11.949 ( -5.237 -0.926 3.299) 6.259 12.213 ( 3.076 6.450 -1.206) 7.247 12.325 ( 2.662 -4.834 -2.290) 5.975 19.304 ( -0.428 2.247 2.820) 3.631 19.355 ( -0.083 -2.905 1.990) 3.522 19.931 ( -3.898 4.485 -0.286) 5.949 20.016 ( -5.063 -4.140 -0.089) 6.541 20.495 ( 6.047 1.242 -1.212) 6.291 20.526 ( 4.812 -1.710 -1.672) 5.373 20.877 ( 10.427 1.864 2.300) 10.839 20.939 ( 11.522 -4.176 -1.752) 12.380 21.479 ( -4.125 2.992 1.823) 5.412 21.540 ( -4.950 -3.140 1.390) 6.025 21.734 ( -0.085 4.551 -1.953) 4.953 21.860 ( 3.069 -7.916 -0.068) 8.490 22.832 ( 3.348 1.912 -0.111) 3.857 22.838 ( 3.704 1.314 0.351) 3.946 23.632 ( -8.606 8.052 -0.445) 11.794 23.718 ( -9.215 -0.288 -3.686) 9.929 ======================= Grid point 110 (58/104) ======================= q-point: ( 0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -1.413 8.064 1.510) 8.325 2.129 ( -9.683 -0.221 -1.452) 9.794 2.343 ( 0.874 9.037 -5.701) 10.721 2.368 ( -0.416 4.557 -1.322) 4.763 2.463 ( 1.037 -4.773 1.497) 5.108 2.514 ( 11.060 8.050 7.022) 15.376 2.564 ( 2.667 -8.869 -3.108) 9.769 2.633 ( 10.236 -2.161 3.293) 10.968 2.888 ( -3.865 -2.894 1.737) 5.131 2.905 ( -4.061 -4.478 0.960) 6.121 3.061 ( -2.124 3.485 -1.054) 4.216 3.131 ( -5.230 -2.030 -2.246) 6.043 3.320 ( -3.153 1.347 0.236) 3.437 3.340 ( -7.385 0.992 0.728) 7.486 3.612 ( -0.620 11.108 -4.438) 11.978 3.738 ( -2.447 2.482 7.041) 7.857 3.755 ( -2.118 0.212 -1.095) 2.394 3.796 ( -4.611 -0.636 2.368) 5.223 3.914 ( -1.967 7.674 1.969) 8.164 4.071 ( -8.106 -3.562 1.518) 8.984 4.234 ( -2.441 2.524 -0.184) 3.517 4.287 ( -4.745 -0.869 0.605) 4.862 4.422 ( 7.525 3.932 5.524) 10.129 4.453 ( 5.233 0.401 2.197) 5.689 4.560 ( 3.196 10.182 -2.947) 11.072 4.627 ( -0.429 3.162 1.672) 3.602 4.713 ( 1.153 13.108 -7.061) 14.934 4.801 ( -0.118 8.636 -0.008) 8.636 5.034 ( 4.955 5.855 -1.623) 7.840 5.135 ( 7.257 -2.603 0.751) 7.746 5.191 ( 2.434 2.968 0.389) 3.858 5.267 ( 4.539 -2.691 1.419) 5.464 5.396 ( 1.345 2.159 -0.635) 2.622 5.445 ( 0.711 -7.754 3.044) 8.360 5.523 ( 3.656 -2.185 -4.019) 5.856 5.624 ( 1.451 -3.179 -6.686) 7.544 5.687 ( -1.733 1.575 -3.327) 4.069 5.793 ( 0.090 -4.471 0.872) 4.557 5.914 ( 6.674 -7.022 4.020) 10.488 5.928 ( -2.684 -7.966 -1.664) 8.569 6.157 ( -0.126 2.023 2.442) 3.174 6.298 ( -1.161 -10.352 2.995) 10.839 6.728 ( -1.029 7.011 -4.538) 8.414 6.771 ( 0.898 -0.149 2.030) 2.225 6.781 ( 1.259 0.854 2.903) 3.278 6.906 ( 0.495 -8.402 -3.347) 9.057 7.318 ( 2.547 3.788 -1.211) 4.722 7.369 ( 3.064 -1.028 -1.326) 3.494 8.507 ( -4.859 10.493 0.618) 11.580 8.706 ( -5.957 -7.667 1.988) 9.911 8.933 ( -2.106 5.872 3.955) 7.387 8.972 ( -2.930 1.754 2.155) 4.038 9.203 ( -4.410 2.466 -1.243) 5.204 9.271 ( -5.008 -1.225 -1.600) 5.398 9.964 ( 4.486 -2.908 -3.068) 6.164 10.013 ( 3.443 -3.034 4.290) 6.282 10.151 ( 2.843 4.078 -5.830) 7.661 10.339 ( 2.389 -5.783 3.185) 7.022 10.398 ( 6.557 -1.015 -8.403) 10.707 10.512 ( -0.223 -5.694 1.421) 5.873 10.713 ( 0.798 6.799 4.503) 8.194 10.937 ( -0.023 -13.633 -1.971) 13.775 11.515 ( 0.819 3.021 0.464) 3.164 11.573 ( 2.325 -2.751 0.856) 3.702 11.868 ( -4.183 1.195 1.623) 4.644 11.893 ( -3.420 -1.546 2.569) 4.548 12.273 ( 4.686 5.256 -0.889) 7.098 12.366 ( 3.811 -3.989 -1.891) 5.832 19.321 ( -0.391 2.201 2.612) 3.438 19.372 ( 0.138 -2.919 1.631) 3.347 19.860 ( -3.106 3.348 -1.509) 4.810 19.922 ( -4.591 -2.817 -1.373) 5.559 20.611 ( 7.577 0.240 -1.145) 7.667 20.628 ( 8.012 -1.516 -0.195) 8.156 21.035 ( 6.752 3.215 -0.109) 7.479 21.104 ( 7.380 -3.506 -0.741) 8.204 21.403 ( -6.027 2.484 1.797) 6.762 21.466 ( -4.132 -3.500 2.753) 6.075 21.728 ( 0.773 7.453 -1.800) 7.706 21.914 ( 3.142 -10.742 -0.712) 11.215 22.904 ( 5.193 2.675 -0.062) 5.842 22.921 ( 5.599 0.988 0.382) 5.699 23.466 ( -10.008 6.641 -0.314) 12.015 23.527 ( -10.140 0.612 -1.641) 10.290 ======================= Grid point 111 (59/104) ======================= q-point: ( 0.40 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -7.866 4.694 2.468) 9.487 2.012 ( -4.623 -2.110 2.290) 5.574 2.280 ( -2.232 7.535 -1.761) 8.053 2.333 ( -0.768 2.234 -1.053) 2.586 2.495 ( 4.709 4.399 -5.943) 8.766 2.609 ( 5.844 -3.118 -5.772) 8.786 2.675 ( 0.619 1.169 -4.545) 4.734 2.773 ( -0.686 -3.903 0.457) 3.989 2.839 ( 2.097 0.645 0.828) 2.345 2.917 ( -0.276 -5.271 3.261) 6.204 3.060 ( 0.239 4.594 6.435) 7.910 3.082 ( -2.960 0.877 4.501) 5.458 3.203 ( -4.521 5.269 -2.453) 7.363 3.308 ( 1.961 -2.976 2.026) 4.100 3.549 ( -2.721 6.817 -3.780) 8.256 3.660 ( -4.755 -3.630 -3.420) 6.891 3.704 ( -3.377 5.431 2.993) 7.061 3.779 ( -3.804 -2.045 6.400) 7.721 3.885 ( -2.544 5.066 4.503) 7.240 3.968 ( -4.942 -1.627 1.321) 5.368 4.206 ( -1.751 0.984 0.069) 2.010 4.244 ( -2.191 -1.264 2.093) 3.284 4.501 ( -3.238 11.204 0.665) 11.682 4.522 ( 2.744 4.379 -4.547) 6.884 4.547 ( 3.744 8.752 2.979) 9.975 4.664 ( 1.116 15.616 0.696) 15.671 4.730 ( 2.178 -1.161 6.095) 6.576 4.883 ( 4.820 0.087 0.961) 4.916 5.079 ( 1.417 8.624 -1.085) 8.807 5.210 ( 1.786 -3.559 -0.244) 3.990 5.320 ( 1.349 4.292 -4.824) 6.597 5.341 ( 7.162 6.086 1.560) 9.527 5.414 ( 6.308 -3.581 -0.777) 7.295 5.509 ( -0.395 -2.821 -4.997) 5.752 5.537 ( 4.196 -2.068 -2.732) 5.417 5.594 ( 4.791 -5.789 -3.203) 8.169 5.664 ( 1.495 -6.280 -2.240) 6.833 5.711 ( -3.436 -8.252 -3.302) 9.529 5.896 ( -2.562 -2.044 2.425) 4.077 6.001 ( -4.440 -11.138 6.071) 13.439 6.260 ( 8.131 4.277 3.483) 9.825 6.355 ( 3.836 -4.734 3.036) 6.808 6.652 ( -1.357 5.259 -4.905) 7.318 6.739 ( -4.045 -1.702 -2.446) 5.024 6.807 ( -0.641 1.396 0.726) 1.699 6.880 ( -0.735 -6.745 -0.959) 6.852 7.355 ( 2.274 4.121 -0.300) 4.716 7.412 ( 2.673 -1.489 -0.708) 3.141 8.419 ( -4.912 8.889 0.557) 10.171 8.575 ( -8.276 -5.014 -0.067) 9.676 8.917 ( -3.446 3.811 4.314) 6.709 8.934 ( -2.786 2.435 2.851) 4.671 9.178 ( -0.138 2.960 0.833) 3.078 9.230 ( 0.185 -1.245 -0.351) 1.307 9.991 ( 1.885 -0.071 -3.252) 3.760 10.073 ( -0.107 -6.500 0.569) 6.525 10.174 ( 6.840 10.295 -6.159) 13.810 10.370 ( 0.801 1.969 -1.117) 2.402 10.453 ( 3.922 -13.913 -4.939) 15.276 10.532 ( 3.286 -9.490 -2.849) 10.439 10.778 ( 0.366 6.530 7.747) 10.139 10.962 ( 1.864 -10.756 4.528) 11.819 11.465 ( -4.450 4.958 -2.130) 6.994 11.558 ( -3.177 -4.126 -1.043) 5.311 11.846 ( -0.544 1.529 2.245) 2.770 11.880 ( -1.291 -2.065 2.702) 3.638 12.341 ( 3.604 4.027 -0.934) 5.484 12.410 ( 2.935 -2.804 -1.947) 4.502 19.333 ( -0.779 2.263 2.368) 3.366 19.385 ( -0.130 -3.014 1.395) 3.324 19.807 ( -1.124 2.277 -2.037) 3.255 19.848 ( -2.197 -1.755 -1.874) 3.379 20.728 ( 6.258 0.957 -0.097) 6.332 20.767 ( 6.875 -3.032 0.794) 7.555 21.102 ( 2.241 3.195 -2.302) 4.531 21.145 ( -0.580 -1.516 -1.623) 2.295 21.331 ( -4.520 5.445 4.191) 8.225 21.475 ( 0.523 -8.313 4.756) 9.592 21.720 ( 0.548 10.141 -2.591) 10.481 21.945 ( 1.812 -12.015 -2.289) 12.365 23.008 ( 6.952 3.571 0.041) 7.815 23.035 ( 7.236 0.921 0.353) 7.303 23.294 ( -9.548 5.511 -0.150) 11.026 23.345 ( -9.708 0.491 -0.788) 9.752 ======================= Grid point 112 (60/104) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -1.225 5.566 6.223) 8.438 2.003 ( -0.436 -4.361 5.598) 7.110 2.254 ( -0.233 7.713 0.782) 7.756 2.354 ( 2.168 -1.830 1.450) 3.186 2.498 ( 2.641 8.321 -9.427) 12.848 2.594 ( 1.013 5.498 -9.316) 10.865 2.633 ( 1.027 -4.278 -8.295) 9.389 2.701 ( -2.519 -4.527 -5.467) 7.531 2.791 ( -3.819 -0.200 0.582) 3.868 2.861 ( -8.285 -5.890 -1.350) 10.254 3.051 ( -1.007 3.759 3.012) 4.921 3.110 ( 0.039 -2.071 4.105) 4.598 3.289 ( 7.642 11.024 3.872) 13.962 3.401 ( 4.185 1.443 1.462) 4.662 3.485 ( -2.291 2.890 1.668) 4.047 3.573 ( -1.932 -3.216 -0.731) 3.822 3.730 ( 1.664 3.246 4.777) 6.010 3.793 ( -1.514 -0.622 8.019) 8.185 3.909 ( -1.703 -1.709 -0.015) 2.413 3.920 ( 1.356 -0.350 3.457) 3.730 4.187 ( 0.630 6.708 0.447) 6.753 4.261 ( 0.614 -0.223 4.997) 5.039 4.454 ( -4.313 3.957 1.665) 6.086 4.503 ( -0.570 0.315 -4.285) 4.334 4.619 ( 0.557 19.265 -0.067) 19.273 4.702 ( 2.146 14.983 6.899) 16.634 4.817 ( 0.764 -0.076 6.286) 6.333 4.903 ( -3.692 -1.465 0.055) 3.973 5.076 ( -0.644 8.320 -1.599) 8.496 5.156 ( -1.642 -1.662 -7.731) 8.076 5.280 ( -0.789 1.027 -2.633) 2.934 5.372 ( -1.739 -3.637 -7.899) 8.869 5.451 ( 2.151 3.934 1.383) 4.692 5.551 ( 2.705 -5.354 -1.175) 6.113 5.593 ( 2.590 -2.716 -3.341) 5.025 5.599 ( 1.062 -4.704 -5.620) 7.405 5.696 ( 4.454 -6.591 -0.853) 8.001 5.725 ( 4.447 -7.838 0.496) 9.026 5.907 ( 1.089 -2.187 4.761) 5.351 5.949 ( -5.507 -6.238 5.929) 10.218 6.348 ( -4.391 2.216 0.906) 5.001 6.376 ( -2.755 -0.789 1.288) 3.142 6.640 ( 1.804 2.258 -2.024) 3.528 6.684 ( 2.615 -1.167 -1.389) 3.183 6.786 ( -0.752 1.004 -1.774) 2.173 6.848 ( -1.435 -5.366 -1.388) 5.725 7.388 ( 1.392 3.711 0.492) 3.994 7.440 ( 1.189 -1.314 -0.614) 1.876 8.382 ( -0.040 6.691 1.682) 6.900 8.486 ( -0.661 -2.186 -0.829) 2.429 8.893 ( -3.298 3.169 3.799) 5.946 8.937 ( -0.012 0.114 3.169) 3.171 9.191 ( 0.565 4.602 1.424) 4.850 9.244 ( 0.682 -0.854 1.018) 1.493 9.967 ( -0.664 2.295 -4.901) 5.452 10.047 ( -1.143 -3.843 -2.984) 4.999 10.237 ( 4.544 5.842 -4.403) 8.612 10.373 ( 0.936 0.159 -0.855) 1.277 10.423 ( -2.448 -10.076 -3.139) 10.834 10.542 ( 2.021 -14.483 -6.375) 15.953 10.863 ( -0.372 7.588 10.393) 12.874 11.056 ( 1.388 -10.600 8.840) 13.872 11.376 ( -1.410 6.313 -4.538) 7.902 11.487 ( -1.830 -4.633 -3.475) 6.073 11.871 ( 0.587 0.323 2.663) 2.746 11.881 ( -1.263 -0.979 2.569) 3.026 12.367 ( 0.239 3.452 -1.033) 3.611 12.425 ( 0.673 -2.155 -2.074) 3.066 19.334 ( -1.356 2.426 2.168) 3.525 19.390 ( -0.704 -3.200 1.346) 3.542 19.787 ( 0.884 1.592 -2.133) 2.805 19.816 ( 0.464 -1.225 -2.079) 2.458 20.800 ( 0.882 0.840 1.089) 1.634 20.836 ( -0.736 -2.766 0.617) 2.928 21.105 ( 1.443 1.052 -2.477) 3.053 21.118 ( 1.076 -0.431 -2.015) 2.325 21.321 ( -2.193 8.513 5.860) 10.565 21.514 ( -1.807 -9.907 5.008) 11.247 21.709 ( 1.271 10.026 -2.884) 10.509 21.935 ( 0.170 -12.042 -3.825) 12.636 23.129 ( -4.931 3.286 0.221) 5.930 23.132 ( 1.965 3.453 0.385) 3.991 23.162 ( 1.008 4.365 0.171) 4.483 23.220 ( 2.773 -0.815 -0.915) 3.032 ======================= Grid point 113 (61/104) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.450 6.474 3.240) 7.254 2.056 ( -0.560 -2.499 4.469) 5.151 2.230 ( -3.501 8.221 -5.006) 10.242 2.318 ( -2.183 -1.212 -3.794) 4.542 2.494 ( -3.939 3.278 -3.978) 6.487 2.537 ( 3.879 3.290 -1.341) 5.260 2.586 ( -2.136 -4.352 -6.134) 7.819 2.610 ( 2.384 -4.406 -3.339) 6.021 2.753 ( 1.902 1.596 -0.292) 2.500 2.816 ( 4.138 -3.667 0.962) 5.612 3.118 ( 4.710 3.503 4.807) 7.587 3.177 ( 3.981 -1.170 4.370) 6.026 3.375 ( 1.889 8.318 -2.255) 8.823 3.454 ( 0.647 2.532 0.570) 2.674 3.481 ( -1.602 3.865 1.975) 4.627 3.584 ( 1.337 -2.813 2.245) 3.839 3.808 ( 2.751 3.370 2.681) 5.110 3.844 ( -0.474 2.144 5.727) 6.133 3.902 ( 2.460 0.600 -0.657) 2.616 3.995 ( 3.760 -4.933 1.921) 6.493 4.232 ( 0.115 7.905 3.943) 8.834 4.337 ( 0.722 -0.463 7.171) 7.222 4.374 ( -5.375 2.924 0.578) 6.146 4.438 ( -1.941 0.018 -0.719) 2.070 4.576 ( -3.451 16.538 -2.336) 17.055 4.738 ( -9.423 4.589 -2.200) 10.710 4.835 ( 2.479 10.442 6.696) 12.650 4.910 ( -0.336 0.942 4.617) 4.724 4.991 ( 1.034 11.051 -5.679) 12.468 5.140 ( 3.166 -1.609 -2.130) 4.141 5.235 ( -1.506 -2.456 -4.485) 5.331 5.286 ( -3.375 -7.609 0.238) 8.328 5.431 ( -3.077 0.850 -2.828) 4.265 5.468 ( -5.972 -3.655 -3.964) 8.046 5.585 ( 0.248 -0.763 -1.117) 1.375 5.640 ( 4.197 -4.574 -3.137) 6.955 5.737 ( 1.408 -6.274 -1.965) 6.723 5.764 ( -0.781 -5.674 -2.891) 6.416 5.935 ( -0.974 1.237 4.356) 4.632 6.007 ( 4.105 -4.711 5.293) 8.189 6.266 ( -6.070 -2.008 3.895) 7.487 6.283 ( -6.204 -3.220 2.405) 7.392 6.636 ( -1.526 3.399 -4.429) 5.788 6.701 ( -0.489 -2.215 -2.794) 3.599 6.742 ( 0.247 4.871 -1.585) 5.128 6.871 ( 4.129 -7.009 -1.545) 8.280 7.405 ( -0.251 3.158 0.690) 3.242 7.443 ( -0.493 -0.423 -0.072) 0.654 8.431 ( 3.216 6.571 1.165) 7.408 8.536 ( 6.490 -2.367 -0.871) 6.963 8.877 ( -1.656 5.741 2.846) 6.618 8.985 ( 1.471 -3.274 4.102) 5.451 9.228 ( 1.832 4.718 2.783) 5.776 9.272 ( 2.128 0.462 1.094) 2.437 9.892 ( -2.002 2.788 -6.239) 7.121 9.985 ( -2.465 -4.298 -3.817) 6.255 10.233 ( -0.798 1.595 -3.390) 3.830 10.335 ( -4.378 -8.379 -2.418) 9.758 10.395 ( 2.344 -2.331 -1.055) 3.470 10.508 ( -0.434 -11.194 -3.758) 11.816 10.914 ( -4.059 9.855 10.611) 15.039 11.139 ( -1.162 -11.252 7.923) 13.810 11.349 ( 3.253 5.015 -5.348) 8.021 11.449 ( 1.398 -4.393 -4.918) 6.741 11.888 ( -0.369 0.676 2.621) 2.732 11.906 ( 0.488 -0.952 3.144) 3.321 12.333 ( -2.951 3.852 -1.035) 4.961 12.396 ( -1.568 -2.411 -2.421) 3.760 19.325 ( -1.853 2.599 2.138) 3.842 19.385 ( -1.354 -3.406 1.504) 3.962 19.797 ( 2.307 1.564 -2.123) 3.504 19.827 ( 3.004 -1.421 -2.429) 4.116 20.762 ( -6.745 0.043 0.031) 6.745 20.772 ( -5.175 -0.960 1.454) 5.460 21.091 ( -1.327 2.866 -2.302) 3.908 21.144 ( 1.647 -2.498 -1.766) 3.474 21.359 ( 1.177 7.050 5.539) 9.042 21.507 ( -2.981 -5.225 4.833) 7.716 21.715 ( 1.542 4.565 -1.731) 5.120 21.888 ( -1.082 -10.646 -4.742) 11.705 23.006 ( -6.772 2.995 -0.016) 7.405 23.022 ( -7.301 1.501 0.078) 7.454 23.308 ( 9.959 6.184 0.110) 11.723 23.374 ( 11.365 -0.278 -0.143) 11.369 ======================= Grid point 114 (62/104) ======================= q-point: (-0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -8.823 12.477 -4.241) 15.859 2.006 ( -5.758 4.172 2.335) 7.484 2.182 ( 0.126 0.717 -3.329) 3.408 2.259 ( -1.428 -5.715 -3.779) 6.998 2.318 ( -6.710 4.550 -5.374) 9.726 2.478 ( -3.642 -8.779 -1.987) 9.710 2.649 ( 4.933 4.433 2.599) 7.123 2.731 ( 7.393 -3.519 2.096) 8.452 2.872 ( 6.460 1.728 4.301) 7.951 2.920 ( 6.057 -2.707 3.795) 7.643 3.245 ( 2.653 8.690 1.416) 9.196 3.292 ( 3.111 1.155 -0.088) 3.320 3.358 ( 1.120 1.254 -1.784) 2.452 3.429 ( 0.452 -3.340 -2.295) 4.078 3.496 ( 1.932 9.389 4.281) 10.499 3.621 ( 0.893 0.231 1.326) 1.615 3.820 ( -4.310 3.200 1.145) 5.489 3.869 ( 1.680 3.982 1.795) 4.680 3.979 ( 4.030 1.284 0.190) 4.234 4.031 ( -1.374 -4.125 -2.679) 5.107 4.223 ( -2.083 5.634 2.527) 6.517 4.273 ( -5.867 2.538 1.857) 6.656 4.385 ( -2.924 9.604 7.776) 12.699 4.488 ( -0.121 4.264 0.321) 4.277 4.531 ( 6.975 1.183 0.267) 7.079 4.613 ( -2.968 3.279 3.260) 5.495 4.776 ( -5.331 1.242 -4.190) 6.894 4.874 ( -2.572 -5.505 -5.871) 8.449 5.104 ( 3.115 13.016 4.676) 14.177 5.173 ( -2.809 3.625 2.149) 5.064 5.212 ( 6.706 5.054 -1.564) 8.542 5.282 ( -0.564 -2.526 0.998) 2.774 5.321 ( -6.227 -1.527 -3.864) 7.486 5.349 ( -0.540 -1.399 -0.224) 1.516 5.574 ( -0.929 0.047 -0.795) 1.224 5.624 ( -3.537 -0.743 -5.070) 6.226 5.703 ( -1.134 -8.168 -0.541) 8.265 5.734 ( 2.228 -7.552 -3.679) 8.691 5.966 ( 0.414 4.366 2.475) 5.036 6.106 ( -1.211 2.783 6.687) 7.343 6.191 ( -0.978 -11.631 -1.741) 11.801 6.260 ( -2.910 -6.998 5.825) 9.559 6.557 ( -1.977 1.396 -5.023) 5.576 6.618 ( -3.278 -4.800 -4.012) 7.063 6.769 ( 1.355 6.258 -0.358) 6.413 6.902 ( 0.763 -6.707 -1.358) 6.886 7.391 ( -1.320 3.314 -0.214) 3.574 7.423 ( -1.705 0.228 -0.040) 1.721 8.487 ( 2.447 7.887 0.214) 8.260 8.642 ( 4.381 -7.109 0.685) 8.379 8.895 ( 1.048 8.969 2.625) 9.404 9.022 ( -1.858 -3.508 3.769) 5.474 9.289 ( 3.138 6.009 0.705) 6.816 9.371 ( 7.744 -0.953 1.313) 7.913 9.808 ( -1.500 1.791 -4.866) 5.398 9.918 ( -0.849 -4.543 -2.462) 5.237 10.174 ( -2.327 1.050 -2.920) 3.878 10.248 ( -3.248 -6.156 -1.936) 7.225 10.423 ( 1.610 -5.431 -1.288) 5.810 10.471 ( -1.125 -10.055 -0.410) 10.126 10.931 ( -3.294 11.333 8.254) 14.402 11.122 ( -4.339 -5.824 -0.451) 7.277 11.392 ( 3.244 -1.224 0.100) 3.469 11.431 ( 0.082 -3.252 -3.130) 4.514 11.910 ( -0.214 1.130 2.707) 2.941 11.935 ( -0.192 -1.314 2.812) 3.110 12.264 ( -3.512 4.756 -0.918) 5.983 12.343 ( -1.391 -2.922 -2.778) 4.265 19.310 ( -2.097 2.679 2.363) 4.142 19.372 ( -1.810 -3.535 1.905) 4.405 19.828 ( 3.397 2.222 -1.989) 4.520 19.873 ( 4.813 -2.272 -2.747) 5.989 20.629 ( -7.925 1.520 -0.601) 8.092 20.671 ( -7.393 -2.711 0.396) 7.885 21.001 ( -7.191 6.082 -0.606) 9.438 21.116 ( -3.850 -5.237 -0.460) 6.516 21.436 ( 2.281 4.186 2.810) 5.534 21.516 ( -0.379 -2.189 3.865) 4.458 21.730 ( 1.594 0.910 -1.054) 2.117 21.832 ( -0.570 -7.638 -3.703) 8.507 22.903 ( -5.222 2.419 -0.144) 5.757 22.914 ( -5.404 1.301 0.266) 5.565 23.485 ( 10.356 8.095 -0.068) 13.144 23.584 ( 13.037 -1.403 -0.355) 13.117 ======================= Grid point 115 (63/104) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -8.413 18.532 -0.335) 20.355 1.928 ( -7.099 12.247 4.255) 14.782 2.061 ( -6.931 -9.050 -2.651) 11.703 2.208 ( -4.522 4.659 -2.414) 6.927 2.247 ( 0.522 -6.512 -0.184) 6.536 2.393 ( -6.788 -11.416 1.034) 13.322 2.723 ( 2.980 4.589 -0.826) 5.534 2.824 ( 3.617 -4.188 -2.975) 6.283 2.986 ( 2.559 1.565 2.697) 4.034 3.049 ( 1.713 -3.833 3.597) 5.528 3.196 ( -4.952 16.133 -4.998) 17.600 3.264 ( 1.838 7.550 1.670) 7.948 3.398 ( 0.999 -6.474 -1.213) 6.662 3.437 ( -1.561 -4.126 3.896) 5.886 3.611 ( 5.284 10.009 0.661) 11.338 3.648 ( 1.771 7.348 -1.383) 7.684 3.820 ( 4.257 -2.435 4.234) 6.479 3.886 ( -1.849 -2.878 2.840) 4.446 3.951 ( -4.018 4.920 0.892) 6.414 4.025 ( 1.227 0.209 1.245) 1.760 4.157 ( -5.822 8.956 1.633) 10.806 4.271 ( 3.337 8.326 -1.064) 9.033 4.408 ( 1.227 5.421 2.545) 6.113 4.527 ( 2.896 3.314 -3.204) 5.444 4.566 ( -1.364 -1.494 -2.741) 3.407 4.661 ( -4.262 -4.694 3.259) 7.129 4.759 ( 0.348 -3.303 -5.023) 6.021 4.784 ( 9.094 -8.503 2.401) 12.679 5.114 ( -2.907 4.795 -0.134) 5.609 5.148 ( -1.670 5.279 1.537) 5.747 5.199 ( -0.512 4.235 -4.175) 5.969 5.250 ( 0.075 1.732 -0.801) 1.910 5.341 ( 5.543 13.760 4.242) 15.429 5.429 ( 2.832 7.212 -0.132) 7.749 5.506 ( -4.768 2.155 -0.608) 5.268 5.549 ( -1.943 -2.372 -0.593) 3.123 5.717 ( 2.376 -13.039 -0.960) 13.288 5.756 ( 3.212 -10.620 -0.875) 11.129 5.979 ( -0.113 4.737 -0.283) 4.746 6.034 ( -5.617 4.086 -1.025) 7.021 6.201 ( -2.928 -4.506 2.658) 5.995 6.280 ( 2.360 -9.480 0.066) 9.770 6.483 ( -3.767 -6.311 -1.957) 7.606 6.530 ( -4.612 -7.490 -0.316) 8.802 6.778 ( 0.009 4.903 0.426) 4.921 6.886 ( -1.224 -5.338 -0.591) 5.508 7.368 ( -0.029 3.080 -1.605) 3.474 7.389 ( -1.383 0.978 -1.179) 2.064 8.522 ( 1.262 8.132 0.971) 8.286 8.680 ( -1.077 -6.699 2.379) 7.190 8.929 ( -1.484 3.681 2.464) 4.672 9.001 ( -2.585 -2.136 2.984) 4.489 9.340 ( 3.834 7.569 -3.110) 9.036 9.476 ( 2.782 -5.354 -1.362) 6.186 9.780 ( 1.304 5.263 -0.041) 5.422 9.978 ( 8.942 -7.027 0.720) 11.396 10.119 ( -0.759 4.148 -3.028) 5.191 10.197 ( -0.857 -3.155 -1.678) 3.674 10.406 ( -1.503 -4.076 0.096) 4.345 10.502 ( 3.946 -12.061 0.549) 12.702 10.932 ( -3.057 6.480 3.660) 8.046 11.007 ( -5.551 -0.592 -5.294) 7.694 11.391 ( -3.268 -1.129 -0.074) 3.458 11.416 ( -2.648 -3.993 2.367) 5.344 11.917 ( -1.017 1.013 2.286) 2.699 11.950 ( -0.850 -2.245 2.578) 3.522 12.213 ( -1.081 6.745 -1.094) 6.918 12.321 ( 1.532 -3.725 -2.412) 4.695 19.296 ( -2.082 2.664 2.755) 4.361 19.358 ( -1.960 -3.606 2.504) 4.808 19.880 ( 4.218 3.002 -1.079) 5.288 19.940 ( 5.490 -2.990 -2.485) 6.727 20.495 ( -6.347 1.254 -1.022) 6.550 20.532 ( -7.726 -2.631 -1.506) 8.300 20.860 ( -9.018 7.155 1.252) 11.580 21.010 ( -8.109 -7.803 0.211) 11.256 21.469 ( -0.123 3.706 1.497) 3.999 21.536 ( -0.718 -2.778 1.427) 3.205 21.757 ( 3.100 1.207 -1.394) 3.607 21.823 ( 1.538 -4.908 -0.808) 5.207 22.827 ( -3.460 2.311 -0.078) 4.161 22.840 ( -3.503 0.960 0.245) 3.640 23.652 ( 8.988 10.424 -0.485) 13.772 23.801 ( 12.736 -4.060 -1.656) 13.470 ======================= Grid point 116 (64/104) ======================= q-point: (-0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -4.062 21.546 6.684) 22.922 1.830 ( -8.219 22.215 5.145) 24.239 1.970 ( -3.820 -11.619 3.117) 12.622 2.112 ( -4.444 2.300 0.733) 5.057 2.244 ( -2.617 -8.981 1.331) 9.449 2.277 ( -6.317 -16.863 3.348) 18.316 2.747 ( 1.952 4.014 -3.524) 5.687 2.832 ( 3.342 -2.520 -7.265) 8.384 3.013 ( 1.965 -0.278 -3.390) 3.928 3.042 ( -0.981 -0.657 -0.750) 1.399 3.096 ( -3.698 19.551 1.783) 19.977 3.340 ( 1.472 2.180 2.988) 3.981 3.408 ( -1.003 -4.740 4.758) 6.790 3.444 ( -3.215 -3.251 6.062) 7.593 3.640 ( 2.854 12.079 -2.240) 12.612 3.710 ( 4.216 6.640 -1.780) 8.064 3.838 ( -3.093 1.588 1.955) 3.989 3.890 ( -2.984 8.346 -0.575) 8.882 3.954 ( -0.129 -3.614 3.982) 5.379 4.066 ( -0.217 -7.901 1.834) 8.114 4.122 ( 1.044 11.245 0.811) 11.323 4.332 ( 6.111 6.506 -1.411) 9.037 4.422 ( -4.872 -5.347 -5.731) 9.229 4.456 ( 2.668 1.837 -3.909) 5.077 4.517 ( -0.518 1.514 -3.575) 3.917 4.608 ( -1.476 -6.025 -4.742) 7.808 4.793 ( 2.995 6.531 4.282) 8.364 4.909 ( 0.574 -7.021 2.668) 7.533 5.130 ( 2.397 2.262 -2.263) 3.998 5.149 ( 4.227 -0.125 -1.019) 4.350 5.206 ( 0.789 13.621 -0.446) 13.651 5.273 ( 2.696 3.707 -0.345) 4.597 5.362 ( -3.022 11.716 -2.333) 12.322 5.454 ( -0.121 -0.788 0.176) 0.816 5.513 ( -1.068 1.919 0.804) 2.339 5.550 ( 7.991 5.920 5.368) 11.301 5.689 ( -1.075 -9.382 -5.794) 11.079 5.808 ( -2.675 -4.629 4.087) 6.729 5.977 ( 0.953 -1.237 -0.400) 1.612 5.985 ( 1.658 -2.052 -1.171) 2.886 6.133 ( -5.063 -0.765 0.320) 5.131 6.298 ( -1.198 3.509 0.758) 3.785 6.384 ( -4.028 -19.844 -3.213) 20.502 6.478 ( -2.976 -11.056 4.301) 12.231 6.787 ( -0.194 2.859 2.108) 3.557 6.858 ( -1.636 -3.455 -0.038) 3.823 7.360 ( 0.462 2.640 -2.931) 3.972 7.368 ( 1.378 1.792 -2.447) 3.332 8.552 ( 0.585 6.777 2.299) 7.180 8.666 ( -2.687 -2.193 2.890) 4.514 8.884 ( -3.557 0.201 0.669) 3.625 8.979 ( -3.117 -6.181 0.337) 6.931 9.382 ( 3.867 5.779 -0.888) 7.010 9.489 ( 0.785 -5.496 2.066) 5.924 9.830 ( 2.450 9.768 0.457) 10.081 10.082 ( 0.495 -1.865 -1.997) 2.777 10.134 ( 3.109 -8.217 -1.108) 8.855 10.198 ( 4.172 1.409 -3.298) 5.501 10.432 ( 3.706 0.491 3.147) 4.886 10.582 ( 4.530 -10.555 -1.468) 11.580 10.852 ( -4.909 4.052 -4.330) 7.698 10.907 ( -2.290 -1.296 0.675) 2.717 11.309 ( -6.106 -0.667 -0.461) 6.160 11.341 ( -6.513 -3.553 0.461) 7.433 11.934 ( 0.230 0.459 3.156) 3.197 11.959 ( -0.867 -2.094 3.393) 4.080 12.204 ( 0.725 8.345 -1.414) 8.495 12.337 ( 2.280 -4.812 -2.638) 5.943 19.287 ( -1.894 2.608 3.054) 4.440 19.348 ( -1.941 -3.608 2.922) 5.032 19.951 ( 3.708 3.153 0.887) 4.947 20.010 ( 4.298 -2.663 -1.329) 5.228 20.410 ( -3.630 -0.062 -1.211) 3.827 20.415 ( -1.774 -0.451 -0.413) 1.876 20.724 ( -7.570 5.511 0.653) 9.386 20.858 ( -8.517 -7.823 -1.053) 11.613 21.476 ( -0.594 3.047 2.206) 3.809 21.528 ( -0.890 -2.060 1.461) 2.678 21.800 ( 2.777 1.074 -1.651) 3.404 21.845 ( 1.286 -3.382 -0.795) 3.704 22.783 ( -1.661 2.212 0.021) 2.766 22.796 ( -1.787 0.823 0.106) 1.970 23.771 ( 5.379 12.158 -1.026) 13.335 23.965 ( 8.427 -6.823 -4.214) 11.633 ======================= Grid point 147 (65/104) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -8.078 0.000 22.080) 23.511 1.097 ( -2.944 0.000 24.197) 24.375 1.392 ( 6.499 0.000 -17.899) 19.043 1.590 ( 2.345 0.000 -21.553) 21.680 2.073 ( 2.526 0.000 43.603) 43.676 2.667 ( 2.016 0.000 -5.161) 5.541 2.744 ( 0.233 0.000 3.940) 3.947 2.804 ( -0.033 0.000 -0.149) 0.153 2.862 ( 1.461 0.000 1.794) 2.314 2.891 ( -0.575 0.000 -1.242) 1.369 3.135 ( 0.441 0.000 0.802) 0.915 3.149 ( -0.507 0.000 0.524) 0.729 3.250 ( -4.868 0.000 -0.453) 4.889 3.332 ( 3.861 0.000 -2.030) 4.362 3.434 ( -7.763 0.000 4.281) 8.865 3.547 ( -1.251 0.000 -11.626) 11.693 3.588 ( -1.749 0.000 -10.551) 10.695 3.595 ( 3.899 0.000 -3.985) 5.575 3.780 ( -2.150 0.000 3.222) 3.873 3.893 ( 2.058 0.000 -6.594) 6.908 3.906 ( 3.209 0.000 5.271) 6.171 3.997 ( -1.370 0.000 -0.990) 1.690 4.145 ( 0.742 0.000 4.754) 4.811 4.257 ( -6.705 0.000 2.288) 7.085 4.262 ( 8.486 0.000 0.937) 8.538 4.318 ( -1.908 0.000 -7.249) 7.496 4.608 ( -10.801 0.000 -2.636) 11.118 4.632 ( 5.597 0.000 -6.841) 8.838 4.860 ( 3.935 0.000 5.648) 6.884 5.002 ( -3.668 0.000 -7.531) 8.376 5.121 ( -4.489 0.000 4.569) 6.406 5.219 ( 2.139 0.000 -4.831) 5.283 5.587 ( 1.141 0.000 8.726) 8.800 5.666 ( 3.425 0.000 1.365) 3.687 5.670 ( -3.398 0.000 0.818) 3.495 5.761 ( 1.329 0.000 -6.102) 6.245 6.068 ( 1.472 0.000 1.172) 1.882 6.080 ( -2.436 0.000 0.999) 2.633 6.138 ( 7.435 0.000 1.482) 7.581 6.172 ( -7.264 0.000 -1.107) 7.348 6.267 ( -1.862 0.000 5.126) 5.454 6.305 ( 2.314 0.000 2.539) 3.435 6.589 ( 1.934 0.000 6.408) 6.693 6.685 ( -1.152 0.000 -3.339) 3.532 6.811 ( -2.217 0.000 -0.409) 2.255 6.906 ( 4.667 0.000 -6.989) 8.404 7.070 ( 1.005 0.000 0.770) 1.266 7.102 ( -1.114 0.000 -2.590) 2.819 8.548 ( 7.461 0.000 7.875) 10.848 8.736 ( -6.341 0.000 -9.581) 11.489 8.766 ( -0.675 0.000 9.580) 9.603 8.952 ( -2.662 0.000 -8.226) 8.646 9.503 ( 9.386 0.000 6.677) 11.518 9.649 ( -7.174 0.000 -6.932) 9.976 9.917 ( -4.232 0.000 0.315) 4.244 9.924 ( 3.797 0.000 -0.224) 3.803 10.153 ( 8.491 0.000 3.096) 9.038 10.218 ( -17.608 0.000 -3.481) 17.949 10.727 ( 6.547 0.000 9.574) 11.598 10.913 ( -6.182 0.000 -2.300) 6.596 11.023 ( 3.758 0.000 0.241) 3.765 11.185 ( -1.211 0.000 -9.334) 9.412 11.409 ( -3.618 0.000 1.984) 4.126 11.444 ( 3.349 0.000 -1.304) 3.594 11.735 ( 4.538 0.000 5.321) 6.993 11.831 ( -2.600 0.000 -4.207) 4.946 12.284 ( -3.136 0.000 3.269) 4.530 12.330 ( 5.675 0.000 -1.194) 5.800 19.297 ( -2.399 0.000 5.394) 5.904 19.413 ( 2.630 0.000 -5.644) 6.226 20.137 ( 9.155 0.000 0.479) 9.168 20.141 ( -18.208 0.000 0.152) 18.209 20.466 ( 0.813 0.000 2.112) 2.263 20.523 ( -0.639 0.000 -3.326) 3.386 20.867 ( -0.580 0.000 1.897) 1.984 20.901 ( 1.957 0.000 -1.391) 2.401 21.526 ( -0.821 0.000 3.665) 3.756 21.610 ( 1.144 0.000 -4.488) 4.632 22.022 ( -11.542 0.000 3.354) 12.019 22.081 ( 18.572 0.000 -2.427) 18.730 22.617 ( 1.506 0.000 0.949) 1.780 22.635 ( -1.397 0.000 -0.818) 1.619 23.064 ( -0.328 0.000 3.110) 3.127 23.127 ( 1.426 0.000 -2.961) 3.286 ======================= Grid point 148 (66/104) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 6.814 0.000 18.021) 19.266 1.301 ( 5.712 0.000 14.575) 15.654 1.473 ( 15.316 0.000 -11.502) 19.154 1.509 ( 10.271 0.000 -20.090) 22.563 2.417 ( -0.065 0.000 20.761) 20.761 2.510 ( 2.315 0.000 -24.572) 24.680 2.741 ( -6.753 0.000 4.401) 8.060 2.865 ( -2.338 0.000 -4.237) 4.840 2.866 ( 6.621 0.000 0.252) 6.626 2.886 ( 0.131 0.000 1.466) 1.472 3.131 ( -1.787 0.000 2.139) 2.787 3.141 ( -1.468 0.000 0.527) 1.560 3.225 ( -3.814 0.000 3.409) 5.115 3.298 ( -0.564 0.000 -5.375) 5.404 3.371 ( -2.421 0.000 5.651) 6.148 3.490 ( -1.616 0.000 5.039) 5.291 3.512 ( -2.064 0.000 2.075) 2.927 3.624 ( 2.850 0.000 -3.662) 4.641 3.698 ( -8.999 0.000 1.733) 9.165 3.836 ( -2.279 0.000 -4.035) 4.634 3.914 ( -1.706 0.000 1.380) 2.194 3.929 ( -4.004 0.000 0.849) 4.093 4.238 ( 2.055 0.000 2.704) 3.397 4.252 ( 3.556 0.000 -7.945) 8.705 4.298 ( 6.923 0.000 2.306) 7.297 4.466 ( -6.309 0.000 2.714) 6.868 4.537 ( 17.397 0.000 -2.852) 17.629 4.681 ( 0.600 0.000 1.540) 1.653 4.906 ( 4.235 0.000 -4.070) 5.874 4.955 ( 0.492 0.000 6.817) 6.834 5.053 ( -8.843 0.000 7.179) 11.391 5.198 ( -0.043 0.000 -2.743) 2.743 5.562 ( -7.905 0.000 5.298) 9.516 5.589 ( -2.504 0.000 -4.012) 4.730 5.737 ( 2.044 0.000 -4.160) 4.635 5.805 ( 6.339 0.000 0.719) 6.379 6.038 ( -2.810 0.000 -0.495) 2.853 6.048 ( -2.165 0.000 -1.392) 2.574 6.116 ( 1.024 0.000 -0.016) 1.024 6.231 ( -0.270 0.000 1.803) 1.823 6.291 ( 0.285 0.000 1.949) 1.970 6.368 ( 3.227 0.000 -1.297) 3.478 6.647 ( 0.747 0.000 -5.670) 5.719 6.681 ( 1.449 0.000 5.951) 6.125 6.785 ( 1.156 0.000 -0.466) 1.246 6.868 ( -1.026 0.000 -4.937) 5.042 7.084 ( 1.280 0.000 -1.804) 2.212 7.112 ( 2.781 0.000 1.872) 3.353 8.519 ( -8.290 0.000 -9.963) 12.961 8.708 ( 1.605 0.000 8.340) 8.493 8.828 ( -3.817 0.000 -6.296) 7.363 8.831 ( -2.169 0.000 10.771) 10.987 9.418 ( -9.580 0.000 -7.409) 12.111 9.616 ( -1.877 0.000 2.006) 2.747 9.937 ( -13.420 0.000 4.195) 14.060 9.959 ( 7.083 0.000 4.823) 8.569 10.060 ( 10.487 0.000 -1.434) 10.585 10.293 ( 1.760 0.000 6.393) 6.630 10.739 ( -5.500 0.000 -9.877) 11.305 10.903 ( 2.960 0.000 10.115) 10.539 11.138 ( 5.260 0.000 -9.938) 11.245 11.165 ( 6.072 0.000 5.624) 8.277 11.431 ( 4.876 0.000 1.982) 5.263 11.527 ( 6.871 0.000 -0.667) 6.903 11.721 ( -4.590 0.000 -6.545) 7.994 11.820 ( 1.270 0.000 3.754) 3.963 12.240 ( -3.957 0.000 1.253) 4.151 12.384 ( 3.359 0.000 -4.085) 5.289 19.310 ( -1.596 0.000 5.360) 5.593 19.415 ( 3.245 0.000 -5.735) 6.589 19.914 ( -11.332 0.000 6.031) 12.837 20.313 ( 5.598 0.000 4.586) 7.237 20.423 ( -6.035 0.000 -2.846) 6.672 20.501 ( 2.077 0.000 1.694) 2.680 20.952 ( 4.506 0.000 -2.538) 5.171 20.967 ( 10.148 0.000 2.819) 10.533 21.521 ( -3.709 0.000 3.914) 5.392 21.583 ( 1.031 0.000 -4.636) 4.749 21.819 ( -12.015 0.000 -1.788) 12.148 22.276 ( 9.276 0.000 -6.285) 11.205 22.618 ( 0.238 0.000 -0.868) 0.900 22.670 ( 3.611 0.000 0.587) 3.658 23.074 ( -1.375 0.000 2.735) 3.062 23.116 ( 0.900 0.000 -4.685) 4.771 ======================= Grid point 149 (67/104) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 8.951 0.000 5.340) 10.423 1.476 ( 10.693 0.000 -12.731) 16.626 1.621 ( 16.945 0.000 -9.773) 19.561 1.637 ( 6.829 0.000 7.303) 9.998 2.425 ( -4.412 0.000 -2.943) 5.304 2.444 ( 10.901 0.000 -20.526) 23.241 2.591 ( -12.845 0.000 3.995) 13.452 2.729 ( -8.513 0.000 -0.312) 8.519 2.834 ( -1.628 0.000 -8.168) 8.329 3.004 ( 4.649 0.000 2.032) 5.074 3.053 ( -6.437 0.000 -3.849) 7.500 3.102 ( -3.487 0.000 1.128) 3.665 3.174 ( -2.779 0.000 -0.009) 2.779 3.332 ( -1.153 0.000 4.367) 4.517 3.405 ( -7.700 0.000 6.447) 10.042 3.427 ( 2.973 0.000 2.708) 4.021 3.539 ( -2.596 0.000 9.575) 9.921 3.637 ( 0.595 0.000 0.526) 0.794 3.708 ( -6.075 0.000 -6.413) 8.833 3.751 ( 5.288 0.000 11.927) 13.047 3.881 ( -2.052 0.000 1.532) 2.561 3.953 ( 2.775 0.000 4.416) 5.215 4.279 ( 3.160 0.000 -2.780) 4.209 4.289 ( 5.077 0.000 0.390) 5.092 4.401 ( -1.382 0.000 -1.756) 2.235 4.478 ( 2.941 0.000 14.693) 14.985 4.574 ( 1.986 0.000 -8.972) 9.189 4.715 ( 5.235 0.000 -7.016) 8.754 4.940 ( -9.207 0.000 7.475) 11.860 4.991 ( -6.988 0.000 8.165) 10.747 5.141 ( 5.050 0.000 5.897) 7.763 5.268 ( 16.969 0.000 3.616) 17.350 5.468 ( -5.173 0.000 2.308) 5.664 5.557 ( 4.028 0.000 -5.952) 7.187 5.754 ( 1.922 0.000 -0.399) 1.963 5.839 ( -0.143 0.000 -5.805) 5.806 5.965 ( -4.401 0.000 -3.518) 5.634 6.028 ( 1.392 0.000 -4.515) 4.725 6.099 ( -0.559 0.000 -3.266) 3.314 6.142 ( -8.687 0.000 -2.701) 9.097 6.335 ( 3.730 0.000 1.629) 4.071 6.358 ( -2.318 0.000 0.262) 2.333 6.611 ( 0.158 0.000 -5.339) 5.342 6.722 ( 0.465 0.000 1.099) 1.194 6.838 ( -1.177 0.000 3.293) 3.497 6.879 ( 7.160 0.000 1.086) 7.242 7.115 ( 3.745 0.000 -1.180) 3.927 7.199 ( 4.799 0.000 2.661) 5.487 8.301 ( -7.351 0.000 -8.007) 10.870 8.734 ( -2.291 0.000 -2.587) 3.455 8.755 ( -3.153 0.000 7.960) 8.562 8.807 ( -10.518 0.000 4.595) 11.478 9.258 ( -2.580 0.000 -3.951) 4.719 9.531 ( -6.407 0.000 -2.527) 6.887 9.836 ( -4.888 0.000 7.954) 9.336 10.143 ( 3.764 0.000 9.453) 10.175 10.237 ( 11.234 0.000 -1.105) 11.288 10.361 ( 4.069 0.000 3.886) 5.626 10.583 ( -2.009 0.000 -10.252) 10.447 10.962 ( -4.607 0.000 4.298) 6.300 11.168 ( 7.128 0.000 -7.398) 10.273 11.286 ( 2.710 0.000 4.425) 5.189 11.528 ( -1.678 0.000 -3.556) 3.932 11.639 ( 6.103 0.000 -0.632) 6.136 11.644 ( 5.119 0.000 1.207) 5.260 11.865 ( 2.166 0.000 1.958) 2.920 12.191 ( -2.081 0.000 0.848) 2.247 12.381 ( 1.394 0.000 -5.817) 5.981 19.333 ( -1.321 0.000 5.447) 5.605 19.423 ( 3.514 0.000 -5.734) 6.725 19.823 ( -6.465 0.000 6.304) 9.029 20.172 ( -12.044 0.000 -3.441) 12.526 20.511 ( 7.712 0.000 2.208) 8.022 20.574 ( 5.183 0.000 0.684) 5.228 21.002 ( 3.723 0.000 -2.202) 4.325 21.182 ( 6.360 0.000 5.175) 8.199 21.466 ( -6.513 0.000 3.785) 7.533 21.592 ( -1.754 0.000 -5.170) 5.459 21.641 ( 1.036 0.000 1.510) 1.831 22.332 ( 4.207 0.000 -5.637) 7.034 22.628 ( 1.613 0.000 -0.462) 1.678 22.740 ( 4.071 0.000 0.142) 4.074 23.064 ( -2.567 0.000 2.592) 3.648 23.076 ( -0.194 0.000 -5.666) 5.669 ======================= Grid point 150 (68/104) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 9.915 0.000 -17.483) 20.099 1.569 ( 9.624 0.000 -0.112) 9.625 1.825 ( 2.669 0.000 13.080) 13.349 1.848 ( 16.897 0.000 -6.987) 18.284 2.311 ( -4.112 0.000 -2.858) 5.007 2.329 ( -9.426 0.000 -1.243) 9.508 2.404 ( -10.785 0.000 0.069) 10.785 2.673 ( -5.834 0.000 -13.316) 14.538 2.779 ( 9.817 0.000 1.228) 9.893 2.895 ( -7.967 0.000 -2.504) 8.351 3.049 ( -3.938 0.000 2.142) 4.483 3.051 ( 0.510 0.000 -3.683) 3.718 3.099 ( -4.780 0.000 -3.461) 5.901 3.221 ( -4.300 0.000 -0.604) 4.342 3.431 ( -7.987 0.000 -0.367) 7.996 3.492 ( -0.020 0.000 9.760) 9.760 3.511 ( 1.815 0.000 -4.498) 4.851 3.638 ( -1.318 0.000 2.355) 2.699 3.677 ( 5.444 0.000 2.528) 6.002 3.880 ( 0.684 0.000 0.887) 1.120 3.898 ( -0.298 0.000 7.126) 7.132 4.080 ( 1.803 0.000 14.182) 14.296 4.249 ( -6.840 0.000 4.547) 8.213 4.361 ( -0.025 0.000 4.061) 4.061 4.453 ( 6.002 0.000 4.303) 7.385 4.611 ( 10.410 0.000 -13.486) 17.036 4.654 ( 1.579 0.000 14.886) 14.969 4.784 ( 11.043 0.000 -3.838) 11.691 4.817 ( -10.517 0.000 3.967) 11.241 4.925 ( -3.425 0.000 3.975) 5.247 5.188 ( 0.449 0.000 0.134) 0.468 5.449 ( 0.342 0.000 1.268) 1.313 5.546 ( 4.206 0.000 -5.408) 6.851 5.662 ( 11.037 0.000 2.936) 11.420 5.720 ( -3.533 0.000 -9.368) 10.012 5.784 ( 1.751 0.000 -1.657) 2.411 5.817 ( -3.496 0.000 -3.544) 4.978 6.005 ( -4.760 0.000 1.165) 4.900 6.006 ( 1.689 0.000 -5.024) 5.300 6.098 ( 2.589 0.000 -2.556) 3.638 6.335 ( -0.208 0.000 -0.540) 0.579 6.425 ( 5.886 0.000 -2.980) 6.598 6.544 ( -3.164 0.000 -2.209) 3.859 6.674 ( -5.880 0.000 -3.482) 6.834 6.874 ( -1.066 0.000 7.855) 7.927 7.006 ( 5.567 0.000 2.585) 6.138 7.182 ( 3.840 0.000 0.595) 3.886 7.303 ( 4.771 0.000 0.402) 4.787 8.150 ( -3.501 0.000 -4.534) 5.728 8.585 ( -14.113 0.000 -2.044) 14.260 8.707 ( -0.817 0.000 2.482) 2.613 8.768 ( -3.030 0.000 7.749) 8.320 9.214 ( -0.917 0.000 -2.264) 2.442 9.378 ( -7.078 0.000 -4.674) 8.482 9.872 ( -1.844 0.000 11.255) 11.405 10.213 ( -2.056 0.000 6.972) 7.269 10.424 ( 11.679 0.000 -2.194) 11.884 10.503 ( 2.265 0.000 -7.824) 8.145 10.544 ( 9.987 0.000 6.189) 11.749 10.830 ( -7.681 0.000 -7.403) 10.667 11.242 ( 6.275 0.000 -3.542) 7.206 11.338 ( -0.184 0.000 3.223) 3.229 11.428 ( -2.747 0.000 -4.375) 5.166 11.672 ( -3.936 0.000 2.602) 4.719 11.771 ( 5.058 0.000 2.883) 5.822 11.964 ( 8.125 0.000 -0.121) 8.126 12.192 ( 0.299 0.000 2.049) 2.071 12.333 ( -0.384 0.000 -7.144) 7.155 19.355 ( -1.765 0.000 5.602) 5.873 19.436 ( 3.724 0.000 -5.693) 6.803 19.781 ( -4.434 0.000 5.093) 6.752 19.965 ( -7.470 0.000 -4.108) 8.525 20.657 ( 7.867 0.000 0.794) 7.907 20.686 ( 7.232 0.000 0.037) 7.232 21.045 ( 3.136 0.000 -1.132) 3.334 21.222 ( -1.854 0.000 -0.750) 2.000 21.367 ( -8.322 0.000 3.137) 8.893 21.456 ( -5.199 0.000 -3.981) 6.548 21.843 ( 8.640 0.000 10.513) 13.608 22.341 ( 2.530 0.000 -5.114) 5.706 22.663 ( 2.598 0.000 0.147) 2.602 22.808 ( 3.549 0.000 0.240) 3.557 23.016 ( -0.573 0.000 -6.168) 6.194 23.032 ( -3.720 0.000 2.590) 4.533 ======================= Grid point 151 (69/104) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 11.855 0.000 -5.548) 13.088 1.723 ( 9.461 0.000 -1.655) 9.605 1.906 ( -5.178 0.000 10.716) 11.901 2.050 ( 10.822 0.000 -5.589) 12.180 2.208 ( -6.549 0.000 5.358) 8.461 2.271 ( 1.605 0.000 -1.748) 2.373 2.316 ( -1.533 0.000 5.273) 5.491 2.452 ( -5.055 0.000 -10.028) 11.230 2.736 ( -5.924 0.000 -6.245) 8.608 2.854 ( -2.938 0.000 -5.119) 5.902 2.961 ( -5.762 0.000 -2.856) 6.431 2.985 ( -2.983 0.000 -3.383) 4.510 3.028 ( -1.450 0.000 4.560) 4.785 3.174 ( -2.066 0.000 -1.134) 2.357 3.291 ( -2.816 0.000 -3.041) 4.145 3.546 ( -3.430 0.000 6.788) 7.605 3.569 ( 5.504 0.000 0.986) 5.592 3.594 ( -1.731 0.000 -4.392) 4.721 3.827 ( 7.072 0.000 0.804) 7.118 3.916 ( -3.329 0.000 9.390) 9.962 3.941 ( 8.939 0.000 -0.936) 8.988 4.156 ( -12.771 0.000 17.276) 21.484 4.164 ( -6.150 0.000 3.227) 6.945 4.352 ( -4.195 0.000 -4.071) 5.846 4.560 ( 1.735 0.000 10.678) 10.818 4.676 ( 9.003 0.000 -8.333) 12.267 4.702 ( -1.937 0.000 8.627) 8.841 4.813 ( -0.753 0.000 7.783) 7.820 4.980 ( 13.605 0.000 -5.013) 14.500 5.006 ( 8.014 0.000 2.193) 8.309 5.150 ( -4.608 0.000 -1.829) 4.958 5.398 ( -5.659 0.000 -13.549) 14.683 5.473 ( 2.545 0.000 1.404) 2.907 5.647 ( 1.469 0.000 -2.032) 2.507 5.770 ( 6.832 0.000 -5.254) 8.619 5.797 ( -0.269 0.000 0.223) 0.349 5.871 ( -1.214 0.000 3.624) 3.822 5.996 ( 1.798 0.000 -4.847) 5.170 6.024 ( 4.572 0.000 6.164) 7.674 6.123 ( 2.419 0.000 -1.714) 2.964 6.326 ( -1.371 0.000 -0.863) 1.620 6.404 ( -0.740 0.000 -8.639) 8.671 6.478 ( -9.454 0.000 -6.363) 11.396 6.524 ( -0.517 0.000 -0.558) 0.761 6.938 ( 1.021 0.000 8.666) 8.726 7.111 ( 3.660 0.000 2.495) 4.430 7.236 ( 0.178 0.000 2.776) 2.781 7.342 ( 1.654 0.000 -4.171) 4.487 8.103 ( 0.608 0.000 -1.299) 1.435 8.340 ( -10.859 0.000 -3.011) 11.268 8.747 ( 0.920 0.000 6.108) 6.177 8.793 ( -0.752 0.000 5.635) 5.685 9.173 ( -1.131 0.000 -2.803) 3.023 9.231 ( -4.475 0.000 -5.323) 6.954 9.942 ( -2.516 0.000 13.171) 13.409 10.229 ( -1.617 0.000 4.260) 4.556 10.474 ( 4.799 0.000 -9.365) 10.523 10.611 ( -6.413 0.000 -11.389) 13.070 10.636 ( 11.288 0.000 0.824) 11.318 10.745 ( 3.598 0.000 7.726) 8.523 11.308 ( 5.821 0.000 -5.104) 7.741 11.343 ( -2.168 0.000 2.526) 3.329 11.386 ( 1.392 0.000 -1.385) 1.964 11.580 ( -8.210 0.000 1.693) 8.383 11.868 ( 2.867 0.000 5.087) 5.839 12.105 ( 7.964 0.000 -0.902) 8.014 12.210 ( -0.880 0.000 1.913) 2.106 12.245 ( -2.155 0.000 -7.839) 8.130 19.365 ( -2.781 0.000 5.610) 6.261 19.453 ( 3.990 0.000 -5.653) 6.920 19.756 ( -2.915 0.000 3.841) 4.822 19.849 ( -2.690 0.000 -2.953) 3.995 20.791 ( 6.735 0.000 0.249) 6.739 20.807 ( 6.483 0.000 -0.433) 6.497 21.095 ( 2.947 0.000 0.745) 3.040 21.167 ( -2.284 0.000 -1.285) 2.621 21.244 ( -8.227 0.000 2.113) 8.494 21.344 ( -4.130 0.000 -4.061) 5.792 22.041 ( 3.186 0.000 11.036) 11.487 22.334 ( 1.928 0.000 -5.260) 5.602 22.717 ( 3.077 0.000 0.931) 3.214 22.854 ( 0.461 0.000 0.579) 0.740 22.966 ( 2.042 0.000 -6.537) 6.848 22.983 ( -4.480 0.000 2.473) 5.117 ======================= Grid point 152 (70/104) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.727 0.000 4.044) 4.397 1.814 ( -2.442 0.000 -4.559) 5.172 1.916 ( 2.204 0.000 4.816) 5.296 2.032 ( 1.185 0.000 -7.198) 7.295 2.154 ( -7.444 0.000 7.258) 10.396 2.333 ( 11.134 0.000 -8.007) 13.714 2.408 ( 5.782 0.000 6.409) 8.632 2.460 ( 4.310 0.000 5.954) 7.350 2.596 ( -1.648 0.000 -9.926) 10.062 2.649 ( -9.130 0.000 -9.836) 13.421 2.901 ( -0.605 0.000 0.728) 0.946 2.921 ( -1.313 0.000 -1.018) 1.661 3.064 ( 0.963 0.000 4.062) 4.174 3.128 ( -0.913 0.000 -2.519) 2.680 3.310 ( 4.117 0.000 3.662) 5.510 3.383 ( -10.322 0.000 -3.300) 10.837 3.636 ( 2.166 0.000 0.673) 2.268 3.652 ( 2.128 0.000 -0.945) 2.328 3.936 ( -8.987 0.000 10.391) 13.738 3.950 ( 7.554 0.000 6.435) 9.924 4.012 ( -7.024 0.000 6.874) 9.828 4.102 ( -0.569 0.000 -1.272) 1.393 4.166 ( 13.856 0.000 -1.808) 13.974 4.181 ( -10.393 0.000 -4.961) 11.517 4.660 ( -2.938 0.000 6.838) 7.442 4.762 ( 5.585 0.000 -4.116) 6.938 4.781 ( -2.634 0.000 15.324) 15.549 4.871 ( -0.063 0.000 11.426) 11.426 4.995 ( -8.459 0.000 -3.790) 9.269 5.104 ( 2.934 0.000 -0.639) 3.002 5.117 ( 6.105 0.000 -5.366) 8.128 5.219 ( 1.191 0.000 -18.243) 18.282 5.635 ( 10.537 0.000 2.994) 10.954 5.686 ( 2.492 0.000 3.090) 3.970 5.736 ( -5.735 0.000 -5.287) 7.801 5.773 ( -1.307 0.000 -5.955) 6.096 5.873 ( -0.940 0.000 4.342) 4.443 5.980 ( 1.503 0.000 -5.213) 5.426 6.148 ( -2.553 0.000 8.110) 8.502 6.160 ( 3.009 0.000 0.987) 3.167 6.199 ( -4.769 0.000 -2.009) 5.175 6.317 ( -1.511 0.000 -7.256) 7.412 6.414 ( 4.261 0.000 -0.066) 4.261 6.450 ( -4.790 0.000 -3.573) 5.976 7.064 ( 4.944 0.000 7.019) 8.585 7.141 ( -1.331 0.000 -1.673) 2.138 7.227 ( -4.231 0.000 3.570) 5.536 7.325 ( 1.967 0.000 -4.524) 4.933 8.143 ( 4.475 0.000 0.790) 4.544 8.178 ( -5.053 0.000 -2.743) 5.750 8.823 ( 1.735 0.000 4.587) 4.904 8.836 ( 0.991 0.000 3.058) 3.214 9.134 ( -0.168 0.000 -2.624) 2.630 9.149 ( 0.006 0.000 -4.280) 4.280 10.020 ( -2.301 0.000 14.773) 14.951 10.232 ( -0.697 0.000 0.950) 1.179 10.416 ( -6.386 0.000 -7.146) 9.583 10.480 ( 3.928 0.000 -6.752) 7.811 10.776 ( -5.514 0.000 3.250) 6.400 10.826 ( 10.350 0.000 -1.194) 10.419 11.297 ( -6.261 0.000 2.261) 6.657 11.374 ( 6.038 0.000 -4.801) 7.714 11.449 ( 6.677 0.000 0.283) 6.683 11.450 ( -6.647 0.000 0.404) 6.659 11.965 ( 1.872 0.000 7.905) 8.123 12.114 ( -4.606 0.000 -6.096) 7.640 12.182 ( -3.907 0.000 0.920) 4.014 12.220 ( 5.778 0.000 -3.058) 6.537 19.357 ( -3.667 0.000 5.450) 6.569 19.473 ( 3.837 0.000 -5.623) 6.807 19.750 ( -1.349 0.000 3.396) 3.654 19.812 ( 0.831 0.000 -2.401) 2.541 20.856 ( -0.616 0.000 0.462) 0.770 20.868 ( 0.017 0.000 -0.650) 0.650 21.139 ( -3.246 0.000 2.656) 4.195 21.162 ( 2.928 0.000 -0.244) 2.938 21.172 ( 3.108 0.000 1.265) 3.355 21.241 ( -2.899 0.000 -4.648) 5.478 22.149 ( -0.605 0.000 9.377) 9.396 22.313 ( 1.375 0.000 -6.383) 6.530 22.782 ( 2.956 0.000 1.951) 3.542 22.819 ( -3.110 0.000 -1.474) 3.442 22.923 ( -4.625 0.000 2.017) 5.046 22.990 ( 5.332 0.000 -4.435) 6.935 ======================= Grid point 153 (71/104) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -17.932 0.000 -3.952) 18.363 1.684 ( -7.699 0.000 1.889) 7.927 1.925 ( -10.933 0.000 6.777) 12.863 2.095 ( 7.871 0.000 -8.119) 11.308 2.194 ( 9.052 0.000 2.349) 9.352 2.378 ( 1.548 0.000 -8.773) 8.909 2.444 ( -5.664 0.000 -5.782) 8.094 2.519 ( 4.119 0.000 -11.312) 12.038 2.603 ( 9.891 0.000 5.887) 11.510 2.630 ( 4.170 0.000 10.804) 11.581 2.930 ( 1.986 0.000 1.956) 2.787 2.956 ( 5.894 0.000 0.172) 5.897 3.106 ( 0.948 0.000 -2.893) 3.045 3.131 ( 2.798 0.000 3.160) 4.221 3.230 ( -4.355 0.000 1.082) 4.488 3.445 ( 2.844 0.000 8.983) 9.422 3.608 ( -4.669 0.000 -2.485) 5.289 3.653 ( 3.215 0.000 -4.076) 5.191 3.805 ( -8.991 0.000 3.610) 9.689 3.976 ( -7.066 0.000 -2.504) 7.497 4.072 ( -0.188 0.000 -3.741) 3.746 4.083 ( 2.127 0.000 9.239) 9.480 4.184 ( 5.388 0.000 10.417) 11.728 4.383 ( 16.148 0.000 -4.522) 16.770 4.592 ( -6.599 0.000 0.967) 6.669 4.690 ( -9.072 0.000 -0.916) 9.118 4.795 ( -9.841 0.000 11.646) 15.247 4.911 ( 2.236 0.000 -7.585) 7.908 5.006 ( 0.307 0.000 15.007) 15.010 5.031 ( -1.219 0.000 -16.639) 16.683 5.157 ( 3.181 0.000 -12.248) 12.655 5.180 ( 5.146 0.000 4.795) 7.034 5.562 ( -4.516 0.000 -6.696) 8.076 5.655 ( -5.478 0.000 4.123) 6.856 5.662 ( -5.853 0.000 -3.697) 6.923 5.836 ( 5.586 0.000 -1.882) 5.894 5.891 ( -1.815 0.000 5.080) 5.395 5.973 ( 3.225 0.000 -5.443) 6.327 6.058 ( -7.440 0.000 5.443) 9.218 6.170 ( -6.782 0.000 -7.807) 10.341 6.247 ( 1.422 0.000 5.491) 5.672 6.285 ( 5.056 0.000 3.609) 6.212 6.391 ( 3.255 0.000 0.398) 3.280 6.516 ( 5.311 0.000 0.159) 5.314 7.073 ( -1.771 0.000 -4.834) 5.148 7.160 ( -3.099 0.000 -1.174) 3.314 7.200 ( 1.000 0.000 8.556) 8.614 7.307 ( -1.218 0.000 -3.394) 3.606 8.109 ( -0.966 0.000 -2.109) 2.319 8.280 ( 9.904 0.000 2.629) 10.247 8.851 ( -0.300 0.000 -2.411) 2.430 8.878 ( 3.172 0.000 -0.882) 3.293 9.148 ( 2.289 0.000 -1.800) 2.912 9.154 ( 4.177 0.000 1.099) 4.320 10.120 ( -1.158 0.000 14.947) 14.992 10.210 ( 1.848 0.000 -10.985) 11.139 10.284 ( -7.789 0.000 7.380) 10.730 10.499 ( 2.983 0.000 -1.508) 3.342 10.650 ( -9.406 0.000 -0.539) 9.421 10.918 ( 2.194 0.000 -8.557) 8.834 11.197 ( -5.568 0.000 5.586) 7.888 11.381 ( -1.975 0.000 -0.582) 2.059 11.409 ( 2.704 0.000 -3.818) 4.679 11.594 ( 8.456 0.000 0.134) 8.458 11.971 ( -5.996 0.000 -4.884) 7.734 12.063 ( -0.261 0.000 8.960) 8.964 12.096 ( -5.472 0.000 0.590) 5.504 12.265 ( 2.567 0.000 -3.575) 4.401 19.338 ( -3.838 0.000 5.356) 6.589 19.482 ( 2.737 0.000 -5.544) 6.183 19.773 ( 0.331 0.000 4.258) 4.271 19.831 ( 4.006 0.000 -3.204) 5.130 20.790 ( -6.744 0.000 1.105) 6.834 20.795 ( -6.929 0.000 -0.132) 6.930 21.127 ( -4.170 0.000 -2.267) 4.746 21.141 ( 1.429 0.000 1.251) 1.899 21.265 ( 4.247 0.000 3.406) 5.445 21.288 ( 9.135 0.000 -2.202) 9.396 22.195 ( -2.616 0.000 8.277) 8.681 22.261 ( -0.067 0.000 -9.365) 9.365 22.746 ( -3.440 0.000 -1.847) 3.904 22.844 ( -1.379 0.000 5.037) 5.223 22.867 ( -0.495 0.000 -0.700) 0.857 23.047 ( 5.217 0.000 -3.861) 6.490 ======================= Grid point 154 (72/104) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -19.203 0.000 5.940) 20.100 1.485 ( -19.209 0.000 6.445) 20.262 1.820 ( -2.228 0.000 -2.729) 3.523 2.090 ( 0.874 0.000 -11.690) 11.723 2.278 ( -10.882 0.000 2.385) 11.140 2.299 ( 0.582 0.000 -1.971) 2.056 2.437 ( 4.667 0.000 7.970) 9.236 2.520 ( 7.348 0.000 -7.640) 10.601 2.697 ( -4.458 0.000 4.622) 6.422 2.823 ( 9.643 0.000 4.513) 10.647 2.992 ( 3.049 0.000 1.600) 3.443 3.075 ( 7.143 0.000 -0.857) 7.195 3.105 ( 1.441 0.000 -1.722) 2.245 3.197 ( 2.793 0.000 1.918) 3.388 3.313 ( 9.465 0.000 6.126) 11.275 3.514 ( -0.431 0.000 -3.318) 3.346 3.518 ( -0.533 0.000 5.879) 5.903 3.711 ( 4.228 0.000 -3.882) 5.740 3.729 ( -1.345 0.000 -0.169) 1.356 3.905 ( -1.201 0.000 -0.198) 1.217 4.029 ( 0.297 0.000 -5.717) 5.724 4.153 ( -13.417 0.000 5.889) 14.653 4.178 ( -2.988 0.000 10.668) 11.079 4.496 ( -2.474 0.000 -9.252) 9.577 4.512 ( -0.494 0.000 -2.257) 2.310 4.676 ( -11.647 0.000 6.543) 13.359 4.752 ( 5.656 0.000 -17.150) 18.059 4.802 ( 12.317 0.000 2.467) 12.562 4.913 ( -1.258 0.000 -9.200) 9.285 5.091 ( 3.315 0.000 -11.634) 12.097 5.105 ( -1.094 0.000 8.903) 8.970 5.328 ( 0.480 0.000 12.754) 12.763 5.513 ( -0.288 0.000 -5.072) 5.080 5.565 ( -0.628 0.000 4.030) 4.079 5.601 ( -3.065 0.000 5.937) 6.682 5.850 ( -0.647 0.000 -6.824) 6.855 5.891 ( -7.491 0.000 -7.560) 10.642 5.901 ( -2.047 0.000 5.110) 5.505 5.998 ( -5.940 0.000 7.235) 9.361 6.040 ( 1.323 0.000 -2.246) 2.607 6.308 ( -0.981 0.000 1.224) 1.568 6.319 ( 1.469 0.000 4.564) 4.795 6.564 ( 1.354 0.000 -1.958) 2.380 6.589 ( 10.999 0.000 3.498) 11.542 7.013 ( -0.610 0.000 -5.130) 5.166 7.074 ( -5.097 0.000 -1.817) 5.411 7.218 ( -5.507 0.000 -2.719) 6.142 7.257 ( -1.497 0.000 4.089) 4.354 8.106 ( 2.172 0.000 -0.552) 2.241 8.516 ( 13.535 0.000 3.899) 14.085 8.792 ( -2.169 0.000 -4.822) 5.288 8.929 ( 6.574 0.000 -6.218) 9.049 9.176 ( 1.298 0.000 0.398) 1.358 9.291 ( 8.582 0.000 3.497) 9.267 10.102 ( -2.400 0.000 -9.669) 9.963 10.229 ( 1.350 0.000 9.242) 9.340 10.276 ( -2.646 0.000 7.667) 8.111 10.473 ( -9.284 0.000 -1.466) 9.399 10.561 ( -0.755 0.000 7.257) 7.296 10.760 ( -5.908 0.000 -8.738) 10.548 11.217 ( 0.619 0.000 1.235) 1.382 11.370 ( 1.350 0.000 0.734) 1.537 11.407 ( 0.741 0.000 -3.389) 3.469 11.702 ( 2.979 0.000 -0.298) 2.994 11.830 ( -6.578 0.000 -2.868) 7.176 11.966 ( -6.569 0.000 -0.518) 6.589 12.164 ( 0.506 0.000 9.156) 9.170 12.248 ( -0.528 0.000 -3.924) 3.959 19.321 ( -3.566 0.000 5.366) 6.443 19.470 ( 1.543 0.000 -5.425) 5.640 19.850 ( 3.606 0.000 6.950) 7.830 19.885 ( 6.123 0.000 -4.912) 7.850 20.665 ( -7.582 0.000 -0.030) 7.582 20.673 ( -7.473 0.000 1.348) 7.594 21.042 ( -4.054 0.000 -0.905) 4.154 21.189 ( 2.256 0.000 2.041) 3.043 21.369 ( 4.078 0.000 4.115) 5.793 21.429 ( 9.275 0.000 -2.846) 9.702 22.125 ( -4.407 0.000 -15.139) 15.767 22.208 ( -3.892 0.000 7.880) 8.789 22.676 ( -3.066 0.000 -1.146) 3.273 22.794 ( -4.609 0.000 1.986) 5.019 22.922 ( 2.546 0.000 2.455) 3.537 23.095 ( 4.142 0.000 -3.838) 5.647 ======================= Grid point 155 (73/104) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -14.727 0.000 20.890) 25.559 1.205 ( -21.809 0.000 14.089) 25.964 1.741 ( -1.505 0.000 -12.194) 12.287 1.909 ( -13.820 0.000 -2.723) 14.086 2.042 ( -18.942 0.000 6.950) 20.177 2.324 ( 2.721 0.000 4.823) 5.538 2.592 ( 2.432 0.000 11.416) 11.672 2.628 ( 7.662 0.000 0.867) 7.711 2.720 ( 6.727 0.000 0.064) 6.728 2.977 ( 3.338 0.000 2.954) 4.457 3.030 ( 1.255 0.000 -0.628) 1.404 3.126 ( 2.258 0.000 -1.141) 2.530 3.174 ( 4.893 0.000 -0.513) 4.920 3.325 ( 9.734 0.000 2.855) 10.144 3.509 ( 1.983 0.000 -5.323) 5.681 3.539 ( -1.932 0.000 2.240) 2.958 3.564 ( 11.874 0.000 5.066) 12.910 3.668 ( -2.876 0.000 -5.677) 6.364 3.735 ( 3.167 0.000 -4.388) 5.412 3.910 ( 1.889 0.000 -0.686) 2.010 3.923 ( -7.629 0.000 -2.869) 8.150 4.018 ( -3.420 0.000 -2.840) 4.446 4.135 ( -10.897 0.000 10.155) 14.895 4.395 ( -1.370 0.000 -2.199) 2.591 4.513 ( -5.312 0.000 -20.325) 21.008 4.538 ( 1.854 0.000 -3.542) 3.997 4.577 ( -1.811 0.000 6.075) 6.339 4.783 ( -2.147 0.000 -12.457) 12.640 5.089 ( 5.299 0.000 -7.234) 8.967 5.126 ( -2.749 0.000 5.157) 5.844 5.156 ( 16.235 0.000 -6.590) 17.522 5.351 ( -8.333 0.000 6.059) 10.303 5.484 ( 2.870 0.000 2.515) 3.816 5.528 ( -14.193 0.000 -11.358) 18.178 5.674 ( -1.903 0.000 8.738) 8.943 5.674 ( 4.112 0.000 6.768) 7.919 5.910 ( 6.557 0.000 -0.099) 6.558 5.918 ( -0.268 0.000 5.425) 5.432 5.988 ( -2.348 0.000 7.487) 7.846 6.083 ( 3.431 0.000 1.892) 3.918 6.326 ( 1.296 0.000 2.954) 3.226 6.352 ( -0.530 0.000 -0.115) 0.542 6.550 ( -1.717 0.000 0.362) 1.755 6.726 ( 2.982 0.000 -0.704) 3.064 6.945 ( -1.890 0.000 -5.708) 6.012 6.954 ( -5.599 0.000 -3.980) 6.869 7.108 ( -4.598 0.000 -0.610) 4.638 7.226 ( -3.712 0.000 0.351) 3.729 8.185 ( 6.090 0.000 2.701) 6.662 8.719 ( -2.568 0.000 -1.234) 2.849 8.771 ( 10.874 0.000 2.872) 11.247 8.996 ( 9.606 0.000 -10.336) 14.111 9.195 ( -0.351 0.000 2.439) 2.464 9.480 ( 9.801 0.000 2.348) 10.079 9.993 ( -1.112 0.000 -6.322) 6.419 10.224 ( -9.099 0.000 0.373) 9.107 10.297 ( -1.274 0.000 -3.775) 3.985 10.408 ( 1.643 0.000 5.467) 5.708 10.425 ( -7.584 0.000 -1.225) 7.683 10.824 ( 4.877 0.000 13.236) 14.106 11.193 ( -0.241 0.000 -6.108) 6.113 11.374 ( -0.978 0.000 -3.867) 3.989 11.434 ( 3.270 0.000 3.460) 4.760 11.653 ( -7.971 0.000 0.228) 7.974 11.682 ( -8.597 0.000 -2.975) 9.097 11.901 ( -0.180 0.000 -1.650) 1.660 12.200 ( -1.277 0.000 -1.110) 1.692 12.241 ( -0.127 0.000 7.624) 7.625 19.308 ( -3.332 0.000 5.320) 6.278 19.446 ( 1.225 0.000 -5.395) 5.532 19.947 ( 6.488 0.000 -5.861) 8.743 20.044 ( 11.017 0.000 9.820) 14.759 20.543 ( -6.232 0.000 -0.652) 6.266 20.577 ( -4.308 0.000 0.620) 4.353 20.970 ( -4.319 0.000 0.725) 4.379 21.243 ( 1.571 0.000 0.351) 1.609 21.479 ( 3.907 0.000 5.681) 6.895 21.544 ( 7.200 0.000 -3.757) 8.121 21.822 ( -13.098 0.000 -18.019) 22.277 22.197 ( -5.421 0.000 7.648) 9.375 22.626 ( -2.033 0.000 -0.238) 2.047 22.733 ( -3.922 0.000 0.912) 4.027 22.983 ( 1.667 0.000 3.214) 3.621 23.120 ( 2.394 0.000 -3.281) 4.061 ======================= Grid point 156 (74/104) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -15.193 0.000 22.522) 27.168 1.038 ( -14.562 0.000 22.121) 26.484 1.548 ( -4.084 0.000 -17.711) 18.176 1.729 ( -6.399 0.000 6.981) 9.470 1.825 ( -12.575 0.000 13.834) 18.695 2.491 ( 9.111 0.000 8.293) 12.319 2.703 ( -0.783 0.000 10.320) 10.349 2.764 ( 4.783 0.000 2.858) 5.572 2.836 ( 2.755 0.000 1.015) 2.936 2.956 ( -2.705 0.000 -2.865) 3.940 3.092 ( 2.745 0.000 2.415) 3.656 3.147 ( 0.729 0.000 -0.478) 0.872 3.252 ( 5.336 0.000 -0.573) 5.367 3.382 ( -5.215 0.000 -3.313) 6.179 3.495 ( 4.933 0.000 -5.596) 7.460 3.525 ( -6.158 0.000 3.831) 7.252 3.650 ( 9.541 0.000 -4.802) 10.681 3.708 ( 0.470 0.000 -10.405) 10.416 3.752 ( 3.605 0.000 2.874) 4.611 3.793 ( -0.827 0.000 -8.274) 8.316 3.945 ( 3.299 0.000 -0.161) 3.303 3.947 ( -1.668 0.000 -1.766) 2.429 4.085 ( -1.971 0.000 7.504) 7.758 4.268 ( -3.832 0.000 -10.901) 11.555 4.392 ( -0.687 0.000 -1.433) 1.589 4.460 ( -10.625 0.000 2.514) 10.919 4.654 ( 1.357 0.000 -13.224) 13.293 4.697 ( 8.199 0.000 1.101) 8.273 4.969 ( -22.638 0.000 -9.435) 24.526 5.095 ( 0.869 0.000 -6.461) 6.519 5.129 ( -1.749 0.000 4.435) 4.767 5.217 ( 4.117 0.000 -8.620) 9.553 5.457 ( 2.086 0.000 6.084) 6.431 5.640 ( 8.893 0.000 -1.890) 9.092 5.670 ( -3.736 0.000 4.239) 5.650 5.753 ( -1.415 0.000 6.505) 6.657 6.007 ( 5.063 0.000 2.624) 5.702 6.016 ( 3.944 0.000 0.780) 4.020 6.058 ( 2.216 0.000 7.531) 7.850 6.177 ( 2.132 0.000 5.555) 5.950 6.300 ( -3.324 0.000 -1.271) 3.558 6.348 ( -4.285 0.000 0.681) 4.338 6.533 ( -1.457 0.000 4.278) 4.519 6.734 ( -0.768 0.000 0.209) 0.796 6.854 ( 1.979 0.000 -5.339) 5.694 6.866 ( -2.118 0.000 -3.872) 4.413 7.062 ( -0.899 0.000 0.439) 1.000 7.159 ( -2.818 0.000 -2.144) 3.541 8.350 ( 8.221 0.000 5.837) 10.083 8.705 ( -0.797 0.000 5.274) 5.333 8.861 ( 0.566 0.000 -5.279) 5.310 9.041 ( 2.704 0.000 -9.751) 10.119 9.275 ( 8.144 0.000 5.827) 10.014 9.648 ( 8.366 0.000 -1.127) 8.442 9.984 ( 2.347 0.000 -0.851) 2.496 10.059 ( -13.299 0.000 -5.087) 14.238 10.068 ( -5.576 0.000 -1.564) 5.791 10.431 ( 1.285 0.000 -6.029) 6.164 10.540 ( 5.749 0.000 8.208) 10.021 10.939 ( -4.858 0.000 9.349) 10.536 11.115 ( -1.255 0.000 -10.472) 10.547 11.299 ( -2.715 0.000 -6.502) 7.046 11.475 ( -5.953 0.000 -2.160) 6.332 11.503 ( -8.795 0.000 1.585) 8.936 11.579 ( 5.100 0.000 6.879) 8.563 11.884 ( -0.335 0.000 -2.663) 2.684 12.228 ( 3.955 0.000 2.499) 4.679 12.286 ( -1.404 0.000 5.474) 5.651 19.299 ( -3.088 0.000 5.340) 6.168 19.424 ( 1.761 0.000 -5.490) 5.766 20.016 ( 7.043 0.000 -4.112) 8.156 20.346 ( 12.802 0.000 4.235) 13.484 20.418 ( -8.086 0.000 -3.952) 9.001 20.538 ( 0.090 0.000 -1.752) 1.754 20.905 ( -4.531 0.000 1.996) 4.951 21.068 ( -17.496 0.000 -8.644) 19.515 21.504 ( -1.803 0.000 2.783) 3.316 21.606 ( 3.992 0.000 -4.298) 5.867 21.744 ( 13.906 0.000 5.864) 15.092 22.146 ( -8.094 0.000 6.651) 10.476 22.604 ( -0.580 0.000 0.465) 0.744 22.677 ( -2.908 0.000 -0.108) 2.910 23.032 ( 0.681 0.000 3.389) 3.457 23.126 ( 1.271 0.000 -2.295) 2.623 ======================= Grid point 157 (75/104) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -5.462 14.661 18.404) 24.155 1.368 ( 0.401 17.503 15.833) 23.605 1.493 ( 4.150 11.292 -10.875) 16.217 1.819 ( 2.055 16.871 -19.339) 25.746 2.240 ( -0.472 18.746 35.147) 39.836 2.671 ( 0.465 0.697 0.724) 1.108 2.706 ( -0.956 -3.836 0.838) 4.041 2.757 ( 4.743 -2.930 1.024) 5.669 2.883 ( 2.645 0.958 0.841) 2.936 2.909 ( -2.193 0.504 -1.877) 2.930 3.166 ( 1.535 -0.445 5.328) 5.562 3.282 ( -3.653 5.766 -0.994) 6.898 3.294 ( -1.737 2.086 1.619) 3.161 3.357 ( -0.459 8.405 -4.182) 9.399 3.473 ( -6.782 3.523 1.992) 7.898 3.563 ( 5.666 -1.033 -3.641) 6.814 3.584 ( -2.781 4.824 -5.491) 7.820 3.658 ( -0.846 6.950 -13.859) 15.527 3.781 ( -2.275 0.453 1.348) 2.683 3.875 ( 1.749 0.381 -6.003) 6.265 3.940 ( 2.329 3.604 4.021) 5.881 3.967 ( -0.194 0.806 0.937) 1.251 4.129 ( -1.643 -4.196 4.918) 6.670 4.232 ( 1.564 5.329 2.981) 6.303 4.293 ( 4.031 -0.639 -4.585) 6.138 4.424 ( -3.167 6.987 -8.848) 11.711 4.615 ( -5.792 4.010 3.270) 7.766 4.705 ( 4.274 3.748 -4.371) 7.171 4.881 ( 3.805 3.229 5.126) 7.154 4.999 ( -5.139 -0.081 -5.809) 7.757 5.128 ( -0.809 0.611 3.224) 3.380 5.209 ( -0.902 -1.020 -4.119) 4.338 5.571 ( -5.204 -4.388 3.272) 7.553 5.598 ( -1.311 -2.921 4.071) 5.179 5.647 ( 8.965 -2.355 0.619) 9.290 5.766 ( -0.103 -0.595 -4.848) 4.886 5.927 ( -2.081 -10.919 5.500) 12.402 6.008 ( -0.058 -6.534 -2.716) 7.076 6.055 ( 4.532 -5.720 3.536) 8.109 6.158 ( -5.886 -2.006 -5.277) 8.156 6.279 ( 0.677 -0.074 4.618) 4.667 6.312 ( 2.127 -0.012 2.833) 3.543 6.553 ( 2.519 -1.423 3.699) 4.696 6.680 ( -0.424 0.007 -7.793) 7.805 6.863 ( -2.647 3.287 6.172) 7.477 6.999 ( 2.824 3.698 -5.454) 7.169 7.142 ( -0.767 5.268 -0.690) 5.368 7.157 ( 1.116 5.220 -2.571) 5.925 8.538 ( 6.304 -0.655 5.278) 8.248 8.609 ( -3.228 -5.372 0.305) 6.274 8.903 ( -3.395 5.996 -1.152) 6.986 8.970 ( -2.273 1.330 -6.088) 6.633 9.497 ( 4.757 -0.520 9.182) 10.354 9.672 ( -3.750 1.715 -7.237) 8.329 9.890 ( 6.794 -0.733 0.611) 6.861 9.910 ( -6.191 0.281 -1.818) 6.459 10.223 ( 1.175 2.587 5.764) 6.426 10.286 ( -9.468 5.548 -1.613) 11.092 10.511 ( 8.671 -13.511 6.739) 17.411 10.718 ( -6.210 -17.129 -11.094) 21.331 10.984 ( 4.745 -3.107 8.141) 9.922 11.161 ( -2.669 -4.493 -8.362) 9.861 11.374 ( -0.248 -3.815 1.859) 4.251 11.409 ( 0.687 -3.464 -1.432) 3.811 11.829 ( 1.054 8.329 4.516) 9.533 11.918 ( -0.824 5.953 -3.976) 7.206 12.232 ( -2.894 -4.080 5.090) 7.136 12.316 ( 4.833 -1.232 -3.348) 6.007 19.304 ( -2.321 0.686 5.178) 5.715 19.412 ( 2.123 -0.212 -5.003) 5.439 20.106 ( -15.443 -3.027 2.147) 15.882 20.123 ( 8.291 -1.306 -0.009) 8.394 20.462 ( 1.759 -0.308 2.212) 2.843 20.519 ( -1.364 -0.277 -3.219) 3.507 20.715 ( 4.151 -9.114 9.307) 13.672 20.878 ( -0.810 -4.794 -7.234) 8.716 21.526 ( -2.485 -0.134 4.075) 4.774 21.599 ( 3.064 -0.323 -2.423) 3.920 21.918 ( 1.366 -7.045 4.130) 8.280 21.982 ( 0.956 -6.100 -1.807) 6.433 22.648 ( 0.884 3.017 1.059) 3.317 22.669 ( -0.998 2.768 -0.865) 3.067 23.289 ( -1.329 14.645 2.195) 14.869 23.403 ( 3.094 22.479 -10.386) 24.955 ======================= Grid point 158 (76/104) ======================= q-point: ( 0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 6.788 12.338 15.253) 20.759 1.496 ( 13.389 11.455 -13.414) 22.145 1.615 ( 5.551 18.100 13.470) 23.235 1.738 ( 8.233 15.066 -18.545) 25.272 2.483 ( -1.437 9.238 14.739) 17.454 2.603 ( 3.552 9.038 -12.866) 16.119 2.687 ( -4.513 -5.012 4.476) 8.095 2.802 ( -0.746 -2.815 -8.446) 8.934 2.859 ( 1.569 -1.113 1.388) 2.372 2.926 ( -0.543 0.826 0.863) 1.312 3.163 ( -4.975 -0.282 -2.068) 5.395 3.253 ( -4.049 4.000 2.935) 6.404 3.268 ( -3.473 5.331 2.346) 6.782 3.327 ( 1.704 1.984 4.043) 4.816 3.456 ( 2.816 6.542 2.176) 7.447 3.491 ( -5.367 6.684 1.479) 8.699 3.569 ( -0.829 5.091 1.797) 5.462 3.602 ( 2.116 -1.223 -1.705) 2.980 3.763 ( -3.596 9.141 2.220) 10.070 3.859 ( 2.009 0.592 -1.740) 2.723 3.909 ( -0.591 5.441 -1.046) 5.572 4.010 ( -3.865 4.030 -0.794) 5.639 4.210 ( 2.866 -1.767 0.232) 3.375 4.296 ( 8.815 -5.476 0.471) 10.388 4.313 ( 3.326 3.813 -9.065) 10.381 4.394 ( 3.015 1.788 5.764) 6.746 4.539 ( -5.285 -0.767 3.865) 6.592 4.723 ( -0.005 6.779 -3.708) 7.727 4.889 ( -0.452 -1.008 -2.166) 2.432 5.010 ( 2.812 4.058 3.314) 5.947 5.119 ( -4.612 3.947 6.584) 8.955 5.174 ( 2.187 -1.856 -1.428) 3.204 5.454 ( -7.604 -7.074 0.684) 10.409 5.583 ( -4.499 -2.449 1.670) 5.388 5.715 ( 1.472 -2.015 -3.724) 4.483 5.783 ( 4.501 -2.471 -1.496) 5.348 5.932 ( -0.674 -8.753 2.577) 9.149 5.979 ( -0.938 -7.737 -1.107) 7.872 6.052 ( -1.907 -4.380 -1.654) 5.055 6.208 ( 4.970 -2.042 4.192) 6.815 6.285 ( 1.274 -0.852 -1.803) 2.367 6.387 ( 2.549 0.615 -1.439) 2.991 6.579 ( -0.284 -1.109 -3.110) 3.314 6.696 ( 6.844 -1.665 -0.061) 7.044 6.860 ( -4.200 6.014 4.685) 8.704 6.955 ( -0.518 3.321 -5.047) 6.064 7.124 ( -0.368 4.090 0.004) 4.106 7.175 ( 2.416 5.025 -0.663) 5.615 8.488 ( -6.732 -1.816 -5.058) 8.614 8.659 ( 2.905 -3.623 0.593) 4.681 8.845 ( -4.608 4.735 4.720) 8.120 8.938 ( -0.631 4.944 3.198) 5.922 9.445 ( -10.333 2.964 -5.307) 11.988 9.631 ( -1.199 -0.931 2.904) 3.277 9.805 ( -3.959 -3.234 1.520) 5.333 10.023 ( 5.337 -0.446 -2.272) 5.818 10.144 ( -0.343 8.658 5.931) 10.501 10.348 ( 1.293 3.514 6.041) 7.107 10.526 ( -3.093 -17.920 -11.877) 21.720 10.711 ( 5.820 -14.566 7.884) 17.556 11.051 ( 0.388 -8.263 -5.054) 9.694 11.197 ( 9.389 0.551 2.584) 9.754 11.407 ( 2.353 -5.288 0.115) 5.789 11.443 ( 4.770 -3.275 -0.693) 5.827 11.852 ( -1.347 9.184 -2.552) 9.626 11.888 ( 0.556 5.488 2.573) 6.087 12.191 ( -4.828 -3.828 2.171) 6.532 12.360 ( 3.800 -2.315 -4.511) 6.336 19.316 ( -1.589 0.569 5.160) 5.429 19.411 ( 2.676 -0.390 -4.740) 5.457 19.921 ( -9.981 0.700 5.124) 11.241 20.268 ( 3.200 -4.289 2.866) 6.071 20.411 ( -3.017 -0.653 -1.987) 3.671 20.512 ( 0.976 0.514 0.982) 1.477 20.877 ( 6.850 -6.175 -7.813) 12.087 20.895 ( 9.764 -5.872 5.801) 12.785 21.503 ( -4.067 -0.206 3.390) 5.298 21.605 ( 1.580 0.900 -3.924) 4.324 21.786 ( -9.358 -2.592 -1.209) 9.785 22.132 ( 9.227 -10.561 -1.747) 14.132 22.656 ( 0.504 3.323 -0.934) 3.488 22.690 ( 2.727 2.230 1.185) 3.717 23.244 ( -5.259 15.833 1.550) 16.755 23.362 ( -0.109 17.167 -5.042) 17.892 ======================= Grid point 159 (77/104) ======================= q-point: ( 0.20 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 8.374 10.487 7.024) 15.147 1.581 ( 11.097 9.553 -18.328) 23.459 1.745 ( 13.782 10.122 -15.753) 23.250 1.875 ( 6.896 19.666 14.547) 25.415 2.446 ( -5.245 3.717 -2.823) 7.021 2.578 ( -9.489 -0.398 1.545) 9.622 2.612 ( 4.277 12.216 -14.429) 19.383 2.714 ( -2.028 1.812 3.842) 4.707 2.819 ( -2.948 -1.822 -9.966) 10.551 2.974 ( 3.908 -1.573 4.476) 6.147 3.071 ( -2.695 -0.562 -3.591) 4.525 3.154 ( -9.387 3.861 -0.052) 10.150 3.203 ( -3.277 1.889 1.296) 3.999 3.412 ( 0.233 1.839 4.782) 5.129 3.432 ( -4.266 1.724 6.207) 7.726 3.518 ( 2.133 11.480 -2.761) 11.999 3.606 ( -0.210 3.545 4.703) 5.893 3.635 ( -1.140 4.661 6.437) 8.029 3.765 ( -3.668 8.337 0.239) 9.112 3.836 ( -0.618 7.973 3.122) 8.585 3.916 ( -1.266 3.437 4.744) 5.993 3.979 ( 5.323 3.291 1.199) 6.372 4.241 ( -2.229 -1.843 1.338) 3.187 4.322 ( 6.544 1.491 -5.853) 8.905 4.364 ( 1.127 -1.158 -2.717) 3.161 4.490 ( 0.907 0.450 10.825) 10.872 4.608 ( 6.077 -5.989 1.937) 8.750 4.689 ( 4.252 4.812 -5.391) 8.384 4.876 ( -5.618 -4.911 4.025) 8.478 4.998 ( -4.682 4.717 3.753) 7.633 5.126 ( 0.407 -1.090 4.379) 4.531 5.280 ( 3.868 -0.329 1.023) 4.014 5.396 ( 4.480 -8.293 -0.046) 9.426 5.531 ( -0.406 -0.308 -0.770) 0.923 5.706 ( 0.002 -3.355 -3.376) 4.760 5.800 ( 1.461 -3.447 -4.047) 5.513 5.936 ( -2.019 -4.904 -2.343) 5.797 5.959 ( 1.047 -5.250 1.036) 5.452 6.041 ( 0.622 -3.751 -2.300) 4.444 6.201 ( -2.435 0.086 -0.970) 2.623 6.329 ( -2.427 -2.840 -0.979) 3.862 6.363 ( 3.093 3.438 -3.649) 5.891 6.569 ( 1.357 -1.512 -3.025) 3.644 6.797 ( -2.029 1.590 2.389) 3.515 6.833 ( 1.834 2.684 3.285) 4.621 6.947 ( 3.410 3.618 -1.117) 5.096 7.138 ( 1.741 2.166 -0.263) 2.792 7.232 ( 4.016 2.900 1.091) 5.073 8.322 ( -6.316 2.207 -5.723) 8.805 8.673 ( 0.546 -1.650 -1.292) 2.165 8.825 ( -5.185 5.324 8.704) 11.445 8.903 ( -9.206 6.470 2.096) 11.446 9.262 ( -3.806 0.728 -3.991) 5.563 9.558 ( -7.798 0.843 0.308) 7.849 9.783 ( -1.521 -2.558 4.276) 5.210 10.130 ( 10.124 -4.126 -1.038) 10.982 10.208 ( -2.358 0.384 4.920) 5.469 10.427 ( 2.236 -10.587 -6.879) 12.822 10.436 ( 5.232 2.876 3.565) 6.954 10.824 ( 0.409 -11.566 4.667) 12.478 11.040 ( 3.599 -11.456 -4.541) 12.838 11.326 ( 2.062 1.382 -0.365) 2.508 11.409 ( 0.263 -7.764 -2.980) 8.320 11.576 ( 8.108 -1.954 1.883) 8.550 11.818 ( -0.920 8.459 0.075) 8.509 11.938 ( 3.196 6.211 2.024) 7.273 12.130 ( -3.337 -4.720 1.341) 5.934 12.368 ( 2.553 -1.518 -5.792) 6.509 19.337 ( -1.270 0.402 5.156) 5.325 19.419 ( 2.957 -0.431 -4.646) 5.524 19.830 ( -6.210 0.791 4.881) 7.938 20.140 ( -10.535 -3.015 -3.504) 11.504 20.497 ( 7.010 -0.949 1.119) 7.162 20.579 ( 6.248 -0.464 1.697) 6.491 20.927 ( 5.136 -4.978 -5.146) 8.811 21.132 ( 9.792 -5.046 4.963) 12.082 21.443 ( -5.522 0.002 1.835) 5.819 21.590 ( -2.484 0.047 -4.419) 5.069 21.657 ( -1.218 0.046 2.387) 2.681 22.234 ( 5.647 -8.698 -3.771) 11.035 22.670 ( 1.925 3.831 -0.606) 4.330 22.758 ( 4.066 1.646 0.747) 4.450 23.157 ( -5.825 12.613 0.926) 13.924 23.302 ( -3.568 14.436 -1.922) 14.994 ======================= Grid point 160 (78/104) ======================= q-point: ( 0.30 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 9.070 7.849 -16.589) 20.471 1.689 ( 7.033 10.079 2.250) 12.495 1.905 ( 15.341 6.022 -9.449) 18.997 2.085 ( 3.077 20.106 10.842) 23.050 2.313 ( -9.281 1.743 2.460) 9.758 2.442 ( -4.065 5.579 -0.438) 6.916 2.457 ( -8.577 8.889 -2.164) 12.540 2.628 ( -5.212 -3.677 -10.422) 12.219 2.852 ( 5.639 5.884 -1.850) 8.357 2.962 ( -7.773 4.700 -2.838) 9.516 3.005 ( -1.819 -1.658 -3.722) 4.463 3.076 ( 2.733 2.379 3.995) 5.394 3.134 ( -4.735 3.590 -1.890) 6.235 3.343 ( -6.822 2.006 0.633) 7.139 3.477 ( -2.839 4.975 1.169) 5.846 3.521 ( -2.507 9.269 1.145) 9.671 3.590 ( 4.537 6.517 -3.186) 8.556 3.653 ( -1.868 2.410 4.056) 5.075 3.730 ( 0.611 5.064 5.744) 7.682 3.901 ( 3.428 2.972 0.054) 4.537 3.952 ( -2.267 4.581 7.434) 9.022 4.074 ( -4.061 -1.777 7.448) 8.668 4.168 ( 0.005 -1.056 3.688) 3.836 4.395 ( 1.321 0.756 1.897) 2.432 4.455 ( 5.533 0.231 3.549) 6.577 4.631 ( 1.468 -1.774 12.066) 12.284 4.656 ( 4.963 1.679 -6.553) 8.390 4.752 ( -4.503 -3.561 -0.347) 5.751 4.806 ( 7.852 1.205 1.380) 8.063 4.965 ( -2.639 4.096 2.195) 5.345 5.166 ( 0.010 -1.688 2.045) 2.652 5.323 ( 4.996 -6.413 -2.770) 8.589 5.505 ( 1.871 -5.672 -4.531) 7.496 5.554 ( 2.729 -5.894 0.114) 6.496 5.675 ( 2.058 -2.246 -4.491) 5.427 5.763 ( 0.691 -3.627 -4.135) 5.544 5.900 ( -0.473 2.712 -0.033) 2.754 5.977 ( -0.051 -1.843 1.446) 2.343 6.029 ( 3.285 -1.807 -4.457) 5.824 6.128 ( -4.372 1.454 -2.106) 5.066 6.322 ( 2.350 -1.015 0.971) 2.738 6.417 ( 6.336 -0.287 -3.679) 7.332 6.530 ( -3.195 -0.067 -1.808) 3.672 6.724 ( -6.093 2.669 -2.295) 7.037 6.872 ( -2.563 0.035 5.448) 6.020 7.051 ( 6.708 2.601 2.285) 7.548 7.164 ( 1.426 -0.887 -0.874) 1.893 7.318 ( 4.377 1.473 0.653) 4.664 8.196 ( -3.434 4.319 -3.313) 6.436 8.629 ( -10.544 4.984 -1.421) 11.749 8.731 ( -2.925 2.416 1.980) 4.279 8.823 ( -3.521 4.982 7.355) 9.556 9.210 ( -1.543 0.120 -1.708) 2.305 9.407 ( -7.794 1.657 -2.535) 8.361 9.820 ( -0.531 -3.410 7.018) 7.821 10.184 ( 0.359 -6.814 -3.093) 7.492 10.325 ( 10.778 -7.178 1.673) 13.057 10.402 ( -0.108 -3.022 -0.394) 3.050 10.621 ( 8.921 2.504 5.030) 10.543 10.812 ( -1.483 -3.177 -3.261) 4.788 11.088 ( 4.645 -13.626 -2.540) 14.618 11.254 ( -4.130 -6.253 -4.574) 8.779 11.413 ( 0.360 -1.280 -0.550) 1.439 11.672 ( 0.170 -1.176 1.059) 1.591 11.815 ( -0.262 3.940 2.773) 4.825 12.040 ( 7.059 5.945 0.318) 9.234 12.112 ( -1.245 -5.587 2.799) 6.372 12.352 ( 1.883 0.556 -6.513) 6.802 19.357 ( -1.652 0.251 5.215) 5.476 19.431 ( 3.147 -0.497 -4.724) 5.699 19.780 ( -4.185 0.021 3.818) 5.665 19.954 ( -6.700 -1.184 -3.981) 7.883 20.617 ( 7.340 -1.845 -0.405) 7.579 20.736 ( 8.642 2.006 2.609) 9.247 20.962 ( 3.454 -4.899 -3.601) 6.993 21.243 ( 0.276 -1.133 0.902) 1.474 21.352 ( -6.269 0.508 1.020) 6.372 21.472 ( -5.566 1.672 -2.206) 6.216 21.782 ( 6.911 -5.174 7.907) 11.707 22.271 ( 3.389 -6.859 -4.845) 9.055 22.711 ( 3.138 4.479 -0.061) 5.469 22.838 ( 4.763 1.942 0.159) 5.146 23.065 ( -5.448 9.110 0.274) 10.618 23.210 ( -5.442 11.508 -1.041) 12.772 ======================= Grid point 161 (79/104) ======================= q-point: ( 0.40 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 10.627 6.920 -4.930) 13.606 1.819 ( 7.778 8.012 -0.564) 11.181 2.058 ( 5.820 4.769 0.144) 7.525 2.103 ( -7.647 11.817 6.269) 15.409 2.256 ( 0.660 1.099 2.567) 2.869 2.357 ( -3.993 11.532 0.966) 12.242 2.410 ( -1.617 4.154 -7.693) 8.891 2.487 ( 1.562 7.676 -0.576) 7.855 2.752 ( -5.601 1.101 -8.034) 9.855 2.879 ( -3.408 1.997 -7.418) 8.404 2.965 ( -2.453 1.255 2.645) 3.819 3.035 ( -3.563 5.999 -1.677) 7.177 3.116 ( -2.206 5.532 1.277) 6.090 3.225 ( -4.941 1.334 -1.409) 5.308 3.419 ( -1.464 9.759 -3.030) 10.323 3.489 ( -2.348 4.964 5.476) 7.755 3.624 ( -0.049 3.919 0.176) 3.923 3.697 ( 1.673 7.378 2.206) 7.880 3.829 ( 6.354 0.557 1.280) 6.505 3.932 ( -3.419 2.321 5.967) 7.258 3.990 ( 4.470 -1.709 4.042) 6.264 4.072 ( -0.423 1.175 4.105) 4.291 4.199 ( -10.443 1.476 9.716) 14.340 4.348 ( -3.725 -0.429 -4.373) 5.761 4.545 ( 1.666 -2.440 7.857) 8.395 4.654 ( -1.876 -2.898 6.527) 7.384 4.706 ( 5.538 2.464 -1.330) 6.206 4.842 ( 3.860 2.077 3.207) 5.431 4.954 ( 4.177 -3.710 2.033) 5.945 4.987 ( 8.173 0.500 -4.422) 9.306 5.156 ( -1.905 1.327 -0.468) 2.368 5.315 ( -1.278 -4.980 -12.679) 13.682 5.449 ( 1.867 -1.768 2.296) 3.447 5.601 ( 2.738 -4.174 0.296) 5.001 5.727 ( 6.652 -3.924 -4.316) 8.848 5.761 ( 0.540 -4.962 -4.151) 6.492 5.915 ( 0.677 3.785 2.891) 4.811 5.976 ( -0.804 -1.377 0.941) 1.852 6.061 ( 0.710 -4.986 -1.543) 5.267 6.113 ( 4.963 3.869 1.497) 6.469 6.328 ( -2.953 0.752 -1.883) 3.582 6.424 ( -2.253 1.421 -3.246) 4.199 6.501 ( 0.890 1.022 -4.980) 5.161 6.573 ( -5.694 4.433 -3.233) 7.907 6.879 ( -0.434 -4.225 5.923) 7.289 7.153 ( -1.809 -3.443 -1.556) 4.189 7.185 ( 5.127 2.071 4.120) 6.896 7.369 ( 1.706 1.888 -1.468) 2.938 8.151 ( 0.136 4.599 -0.625) 4.644 8.395 ( -10.998 5.303 -2.930) 12.557 8.780 ( 2.715 3.232 4.289) 6.018 8.840 ( -1.997 4.596 7.103) 8.693 9.156 ( -2.639 -0.423 -1.806) 3.226 9.273 ( -3.919 2.640 -4.550) 6.560 9.869 ( -2.135 -5.181 9.381) 10.927 10.172 ( 3.378 -8.672 -7.558) 11.989 10.391 ( -2.066 -2.231 3.456) 4.603 10.507 ( 6.758 -7.117 0.509) 9.828 10.743 ( 1.598 3.422 -2.758) 4.676 10.801 ( 3.680 4.166 1.460) 5.746 11.125 ( 4.359 -14.892 -5.558) 16.483 11.190 ( -1.546 -9.732 1.169) 9.924 11.405 ( 0.039 -1.860 -0.036) 1.860 11.613 ( -5.942 1.151 -0.413) 6.066 11.866 ( 2.378 0.046 3.874) 4.546 12.098 ( -2.436 -6.051 0.213) 6.526 12.163 ( 5.729 4.774 0.959) 7.519 12.325 ( 1.057 3.299 -5.353) 6.376 19.367 ( -2.597 0.174 5.211) 5.824 19.446 ( 3.382 -0.687 -4.779) 5.895 19.753 ( -2.396 -0.270 2.936) 3.799 19.846 ( -2.596 -0.488 -2.941) 3.953 20.743 ( 7.161 -1.917 0.004) 7.413 20.887 ( 5.624 4.926 -0.069) 7.477 20.994 ( 3.574 -6.450 -0.174) 7.376 21.204 ( -4.213 -0.717 0.445) 4.297 21.258 ( -5.459 2.450 1.493) 6.167 21.370 ( -3.396 3.115 -3.931) 6.057 21.958 ( 3.794 -7.381 9.699) 12.765 22.271 ( 1.966 -6.355 -5.701) 8.761 22.775 ( 3.984 5.432 0.604) 6.763 22.922 ( 4.489 3.733 0.349) 5.849 22.976 ( -4.507 6.065 -0.891) 7.608 23.105 ( -5.432 8.167 -1.029) 9.863 ======================= Grid point 162 (80/104) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 3.147 5.487 4.078) 7.526 1.884 ( -3.814 6.545 -4.537) 8.830 2.042 ( -1.099 10.227 2.937) 10.697 2.104 ( 3.083 5.564 -0.858) 6.419 2.220 ( -4.460 4.988 2.766) 7.241 2.380 ( 7.525 4.488 -6.936) 11.175 2.421 ( 5.362 1.245 4.556) 7.146 2.566 ( 3.844 10.209 3.981) 11.613 2.608 ( -1.752 0.734 -11.027) 11.189 2.707 ( -6.150 6.016 -7.771) 11.593 2.939 ( -2.073 4.052 2.401) 5.146 2.984 ( -1.383 6.277 -0.548) 6.451 3.122 ( 1.727 2.308 1.762) 3.378 3.149 ( -1.944 0.126 -0.860) 2.130 3.420 ( -6.428 5.233 0.830) 8.330 3.427 ( 3.096 13.071 0.926) 13.464 3.684 ( -0.402 6.227 2.540) 6.737 3.729 ( 3.504 6.993 -1.313) 7.932 3.956 ( -4.646 1.352 6.648) 8.223 3.959 ( -1.917 -2.564 5.481) 6.347 3.968 ( 2.030 -0.405 6.226) 6.561 4.078 ( -1.619 -3.244 -1.298) 3.851 4.163 ( -2.806 2.898 1.922) 4.468 4.262 ( 4.786 6.606 -5.846) 10.036 4.625 ( -3.020 -3.603 6.860) 8.316 4.672 ( -1.718 -6.490 5.454) 8.650 4.817 ( 3.548 0.549 5.434) 6.513 4.898 ( -0.056 3.335 3.338) 4.719 4.949 ( -1.523 -4.282 -0.720) 4.602 5.033 ( -7.102 -2.508 2.301) 7.875 5.110 ( 4.821 0.222 -8.619) 9.878 5.246 ( 7.144 0.669 -14.834) 16.478 5.554 ( 4.362 -4.558 5.070) 8.094 5.656 ( 0.364 -3.153 0.519) 3.216 5.689 ( -3.173 -4.079 -3.756) 6.389 5.760 ( 1.057 -3.388 -5.821) 6.817 5.947 ( 0.851 5.022 1.920) 5.443 5.983 ( 0.771 -0.094 -1.462) 1.656 6.095 ( 3.889 -5.318 3.588) 7.502 6.152 ( -8.258 -2.499 -0.221) 8.631 6.252 ( 2.681 6.137 3.550) 7.580 6.386 ( -4.079 4.300 -7.271) 9.381 6.431 ( 2.995 2.506 0.572) 3.946 6.480 ( -3.281 2.786 -3.740) 5.702 6.977 ( 3.818 -6.413 5.986) 9.567 7.079 ( -2.768 -6.092 -3.925) 7.758 7.276 ( -0.309 3.864 4.454) 5.904 7.362 ( 0.935 2.520 -3.288) 4.247 8.190 ( 3.774 4.456 1.408) 6.007 8.234 ( -4.325 5.302 -2.975) 7.461 8.857 ( -1.678 3.418 4.787) 6.116 8.877 ( 3.790 3.813 2.585) 5.966 9.122 ( 0.527 0.159 0.160) 0.573 9.189 ( -0.898 2.764 -5.553) 6.268 9.909 ( -3.556 -7.624 11.158) 13.974 10.153 ( 3.455 -9.736 -11.325) 15.329 10.387 ( -3.882 1.725 8.322) 9.344 10.544 ( 1.998 -1.360 -6.009) 6.477 10.757 ( -4.901 -0.030 3.980) 6.314 10.844 ( 6.314 0.773 -3.702) 7.360 11.139 ( -6.109 -10.898 1.216) 12.553 11.190 ( 5.692 -13.819 -3.087) 15.261 11.456 ( 5.173 -1.456 1.889) 5.696 11.500 ( -4.726 1.061 -2.334) 5.377 11.952 ( 2.666 -1.081 5.299) 6.030 12.028 ( -4.287 -4.862 -1.968) 6.775 12.228 ( -0.674 3.608 1.659) 4.028 12.300 ( 1.701 4.629 -4.789) 6.874 19.359 ( -3.415 0.232 5.079) 6.125 19.463 ( 3.236 -0.940 -4.696) 5.780 19.749 ( -0.881 -0.137 2.724) 2.866 19.807 ( 0.692 -0.573 -2.522) 2.677 20.842 ( 2.996 -0.920 1.198) 3.355 20.874 ( -4.323 0.096 -1.829) 4.695 21.107 ( 3.096 -1.941 2.064) 4.196 21.134 ( -0.511 -1.845 -0.797) 2.074 21.213 ( -1.372 3.130 3.003) 4.550 21.294 ( -0.489 4.556 -4.566) 6.469 22.071 ( 0.095 -7.177 9.054) 11.554 22.239 ( 0.463 -7.139 -6.946) 9.972 22.855 ( 3.820 6.599 1.533) 7.778 22.883 ( -4.247 5.951 -1.203) 7.409 22.976 ( -3.519 5.043 2.595) 6.674 23.046 ( 4.599 4.818 -4.052) 7.796 ======================= Grid point 163 (81/104) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -16.624 7.059 -3.180) 18.339 1.810 ( -3.147 9.217 0.290) 9.744 1.981 ( -14.551 6.265 5.750) 16.854 2.208 ( 8.152 4.345 0.441) 9.248 2.267 ( 8.933 11.022 -4.084) 14.763 2.409 ( 1.427 -0.983 -5.512) 5.778 2.493 ( 2.446 3.166 -10.804) 11.521 2.600 ( 7.711 2.051 4.256) 9.043 2.603 ( 0.531 8.970 -6.935) 11.350 2.694 ( 3.716 6.993 8.814) 11.849 2.952 ( 0.321 2.384 4.250) 4.883 3.003 ( 3.291 5.554 1.074) 6.545 3.126 ( 2.735 -0.762 0.351) 2.861 3.201 ( 2.215 4.595 0.073) 5.102 3.337 ( -3.058 10.296 3.559) 11.315 3.540 ( 5.865 8.787 4.320) 11.413 3.610 ( -4.971 5.487 -2.935) 7.965 3.755 ( -0.269 7.648 -2.759) 8.135 3.828 ( -5.612 1.358 1.955) 6.096 3.982 ( -8.508 0.117 3.576) 9.229 4.023 ( -2.086 -0.328 0.031) 2.112 4.109 ( 4.496 0.355 0.915) 4.602 4.196 ( 7.671 1.179 7.367) 10.701 4.384 ( 11.303 0.418 -5.612) 12.627 4.538 ( -8.675 -4.981 3.512) 10.602 4.666 ( -5.554 0.389 4.807) 7.356 4.819 ( -2.081 -8.541 -5.476) 10.357 4.868 ( -7.117 2.475 4.609) 8.833 4.964 ( -2.040 -2.340 3.199) 4.457 5.021 ( 2.982 1.738 5.071) 6.134 5.074 ( 2.591 -1.949 -10.523) 11.011 5.261 ( 5.997 2.516 -9.565) 11.566 5.535 ( -4.250 -2.380 -4.933) 6.932 5.622 ( -2.028 -4.222 2.306) 5.221 5.641 ( -6.230 -0.968 1.163) 6.411 5.708 ( -0.859 -6.947 -1.384) 7.135 5.951 ( -1.275 2.813 -0.249) 3.098 5.974 ( -2.472 -3.731 0.290) 4.485 6.044 ( -1.654 -0.863 0.607) 1.962 6.187 ( -4.648 -2.023 -2.159) 5.510 6.279 ( 3.679 5.400 0.381) 6.545 6.340 ( -0.454 4.104 4.634) 6.207 6.427 ( 4.349 3.081 0.216) 5.334 6.538 ( 5.483 2.300 0.610) 5.977 6.976 ( -1.971 -7.237 -2.149) 7.803 7.109 ( 3.185 -6.352 1.975) 7.376 7.235 ( -5.005 4.418 -0.047) 6.676 7.360 ( -0.277 3.204 -1.104) 3.400 8.164 ( -0.720 5.261 -2.004) 5.676 8.335 ( 10.197 5.289 2.618) 11.782 8.837 ( -2.224 0.515 -0.492) 2.335 8.961 ( 4.374 5.890 -1.689) 7.528 9.153 ( 1.670 1.040 -3.450) 3.972 9.182 ( 4.663 2.404 3.120) 6.104 9.937 ( -4.857 -11.144 11.396) 16.663 10.100 ( 2.080 -8.809 -10.604) 13.942 10.404 ( -2.689 2.893 7.440) 8.423 10.526 ( 1.087 -0.265 -4.358) 4.500 10.644 ( -8.728 2.093 2.863) 9.421 10.924 ( 3.026 0.861 -7.408) 8.049 11.019 ( -6.419 -14.894 4.617) 16.863 11.223 ( 0.208 -12.163 -1.640) 12.275 11.438 ( 0.546 0.004 -3.238) 3.283 11.586 ( 6.592 -1.658 2.076) 7.107 11.928 ( -4.290 -1.944 -2.040) 5.133 12.043 ( 1.460 -2.682 5.065) 5.914 12.174 ( -5.401 5.949 1.511) 8.176 12.293 ( 0.541 2.158 -3.650) 4.274 19.341 ( -3.594 0.367 5.024) 6.188 19.471 ( 2.351 -1.023 -4.579) 5.248 19.769 ( 0.374 -0.302 3.216) 3.252 19.824 ( 3.864 -0.764 -2.816) 4.842 20.751 ( -7.862 -1.344 -0.728) 8.009 20.852 ( -3.864 2.593 2.578) 5.320 21.020 ( -5.816 -4.605 -1.961) 7.674 21.211 ( 3.137 0.232 -0.145) 3.149 21.273 ( 2.726 1.608 1.847) 3.664 21.314 ( 7.179 3.626 -0.630) 8.068 22.121 ( -2.875 -7.397 6.590) 10.315 22.162 ( -1.593 -8.039 -7.347) 11.007 22.794 ( -4.306 4.740 -1.216) 6.518 22.889 ( -5.143 3.729 2.981) 7.017 22.965 ( 5.000 8.463 -0.022) 9.830 23.135 ( 7.674 7.663 -3.170) 11.299 ======================= Grid point 164 (82/104) ======================= q-point: (-0.30 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -17.362 9.794 5.600) 20.706 1.663 ( -17.872 14.545 5.032) 23.586 1.831 ( -1.599 2.502 -2.786) 4.072 2.263 ( 0.396 6.791 -5.897) 9.002 2.367 ( 3.409 12.460 -3.049) 13.273 2.419 ( 3.200 -1.086 5.695) 6.622 2.472 ( -5.808 17.308 -2.149) 18.383 2.538 ( 6.477 1.265 -6.897) 9.546 2.723 ( -2.342 3.079 6.627) 7.673 2.869 ( 11.080 2.096 4.860) 12.279 2.981 ( 0.021 0.468 1.634) 1.700 3.086 ( 1.500 4.144 1.261) 4.584 3.150 ( 0.824 2.182 -2.356) 3.316 3.292 ( 9.372 1.690 4.389) 10.486 3.409 ( 5.692 9.765 5.580) 12.606 3.505 ( -3.545 9.101 -0.831) 9.802 3.653 ( -0.039 -1.514 -2.492) 2.917 3.692 ( 1.427 10.410 -0.866) 10.543 3.816 ( 1.093 4.049 -1.326) 4.399 3.895 ( -2.914 0.750 1.127) 3.213 4.026 ( 2.194 0.791 -1.129) 2.591 4.166 ( -0.696 -1.594 0.132) 1.745 4.187 ( -9.613 2.639 6.938) 12.145 4.370 ( -5.290 -5.158 -5.170) 9.018 4.587 ( -3.396 0.668 0.680) 3.527 4.697 ( 5.302 -3.304 -8.023) 10.169 4.723 ( -2.489 3.132 2.151) 4.542 4.757 ( 5.014 -2.630 -3.070) 6.441 4.920 ( -2.092 0.730 -5.735) 6.148 5.021 ( 2.596 -6.011 -3.478) 7.414 5.138 ( 0.834 2.544 6.036) 6.603 5.251 ( -2.457 -2.594 -1.628) 3.926 5.470 ( -2.027 -3.295 -1.203) 4.052 5.548 ( -3.658 -1.504 2.248) 4.549 5.606 ( 1.272 -2.398 -0.365) 2.739 5.689 ( -2.823 -5.912 2.799) 7.124 5.906 ( -4.594 -4.619 3.022) 7.182 5.937 ( -1.965 2.058 0.842) 2.967 6.020 ( -3.631 0.426 -2.779) 4.592 6.101 ( 2.060 1.412 0.342) 2.521 6.303 ( -2.226 2.027 1.138) 3.218 6.343 ( -1.695 1.243 3.354) 3.958 6.544 ( 3.187 -0.263 -2.174) 3.867 6.670 ( 10.224 4.290 2.178) 11.299 6.953 ( 0.504 -4.595 -1.779) 4.953 7.097 ( -6.432 -3.597 -0.492) 7.385 7.165 ( -0.937 2.165 -1.560) 2.828 7.321 ( -3.235 3.374 -0.086) 4.675 8.164 ( 2.124 5.585 -0.569) 6.002 8.572 ( 12.916 5.579 3.605) 14.525 8.783 ( -1.623 -0.043 -2.695) 3.146 8.997 ( 5.232 5.278 -7.154) 10.315 9.175 ( 1.435 0.262 0.476) 1.535 9.335 ( 9.246 4.199 3.723) 10.816 9.924 ( -4.934 -12.917 4.876) 14.661 10.070 ( 1.490 -8.661 -2.065) 9.027 10.364 ( -8.417 -8.292 -2.061) 11.994 10.449 ( -1.958 6.746 -1.048) 7.102 10.648 ( 0.782 5.140 10.299) 11.537 10.753 ( -9.368 -1.427 -7.093) 11.837 11.053 ( 1.365 -11.976 0.401) 12.060 11.209 ( 0.636 -12.821 0.340) 12.842 11.432 ( 0.700 0.041 -2.364) 2.466 11.675 ( 0.986 -3.060 0.786) 3.309 11.860 ( -1.703 3.357 -1.264) 3.971 12.024 ( -5.506 1.227 0.770) 5.694 12.165 ( 1.306 2.574 4.032) 4.959 12.244 ( -3.014 -0.432 -2.111) 3.705 19.325 ( -3.368 0.472 5.070) 6.105 19.464 ( 1.445 -0.727 -4.592) 4.868 19.828 ( 3.151 -1.506 3.893) 5.230 19.885 ( 5.805 -0.528 -2.205) 6.232 20.612 ( -7.579 -1.854 0.088) 7.803 20.764 ( -7.632 5.511 0.815) 9.449 20.911 ( -5.801 -8.759 0.303) 10.510 21.252 ( 1.620 1.186 -0.137) 2.013 21.339 ( 3.205 -0.378 2.321) 3.974 21.451 ( 8.001 1.838 -0.576) 8.230 21.990 ( -6.866 -9.909 -10.657) 16.090 22.147 ( -3.406 -5.964 6.670) 9.574 22.718 ( -3.508 4.134 -0.697) 5.466 22.819 ( -4.836 2.369 1.756) 5.664 23.068 ( 6.323 10.678 0.035) 12.410 23.242 ( 8.297 12.777 -3.834) 15.710 ======================= Grid point 165 (83/104) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -13.167 11.512 18.454) 25.425 1.398 ( -19.562 15.617 11.865) 27.701 1.772 ( -0.837 5.267 -9.995) 11.329 2.146 ( -6.528 13.147 -8.847) 17.139 2.274 ( -21.333 21.515 14.732) 33.690 2.371 ( 1.763 9.618 0.826) 9.813 2.565 ( 3.120 -2.147 10.595) 11.252 2.644 ( 8.460 0.498 -1.850) 8.674 2.739 ( 3.711 2.782 0.275) 4.647 2.997 ( -0.415 -1.973 -0.686) 2.130 3.036 ( 0.634 0.899 1.473) 1.839 3.128 ( 10.172 2.286 2.856) 10.810 3.228 ( 5.152 1.050 -0.475) 5.279 3.452 ( 6.389 3.130 -0.066) 7.115 3.467 ( -1.738 9.622 1.642) 9.915 3.563 ( 0.307 -0.246 -4.019) 4.038 3.626 ( 8.399 3.545 1.986) 9.330 3.710 ( -0.453 7.129 -1.788) 7.363 3.819 ( 1.505 4.677 -0.660) 4.957 3.861 ( -1.190 0.160 -1.403) 1.847 3.956 ( -7.513 6.513 -0.233) 9.946 4.119 ( 1.077 5.207 -6.162) 8.139 4.160 ( -9.509 2.693 6.764) 11.976 4.297 ( 5.202 -6.304 -0.386) 8.182 4.495 ( -4.242 -0.844 -17.130) 17.668 4.547 ( -7.482 -3.083 2.721) 8.537 4.637 ( 1.185 6.244 -2.498) 6.829 4.795 ( -2.679 1.128 -10.165) 10.572 4.966 ( 0.754 -10.106 -2.609) 10.464 5.081 ( 3.653 -0.997 -1.795) 4.191 5.156 ( -1.960 1.410 -1.032) 2.626 5.247 ( 8.093 -4.848 5.416) 10.878 5.413 ( -4.379 -6.591 -1.741) 8.102 5.527 ( -2.265 -0.480 1.870) 2.976 5.592 ( -1.935 -3.705 3.144) 5.230 5.732 ( 2.590 2.061 2.785) 4.326 5.873 ( -2.589 -8.902 5.193) 10.627 5.936 ( -0.021 3.901 3.161) 5.021 5.972 ( 0.788 -2.265 0.221) 2.408 6.181 ( 4.110 3.331 1.895) 5.620 6.273 ( -3.585 -1.652 2.944) 4.924 6.335 ( 0.452 -2.482 -0.584) 2.589 6.538 ( -1.712 0.469 -0.236) 1.791 6.825 ( 6.785 4.214 -2.081) 8.254 6.931 ( -3.743 -1.284 0.813) 4.040 6.952 ( -5.442 -0.653 -5.527) 7.783 7.141 ( -0.317 3.229 -0.817) 3.346 7.257 ( -3.467 2.734 -0.925) 4.511 8.234 ( 5.236 4.703 2.167) 7.364 8.669 ( -2.338 -1.079 -0.986) 2.757 8.879 ( 10.434 7.172 2.817) 12.971 9.039 ( 8.712 3.124 -9.690) 13.400 9.193 ( -0.698 -0.144 2.451) 2.552 9.534 ( 10.245 5.363 1.887) 11.717 9.878 ( -1.352 -10.114 -1.173) 10.271 10.084 ( -5.459 -10.645 4.011) 12.618 10.189 ( -3.536 -8.782 -0.273) 9.471 10.433 ( -2.657 4.079 -3.017) 5.727 10.521 ( -6.579 4.534 -4.243) 9.047 10.792 ( 3.090 -4.492 8.776) 10.332 11.020 ( -2.593 -12.842 -4.089) 13.724 11.271 ( 3.246 -10.586 3.864) 11.727 11.406 ( -1.622 -0.096 -1.952) 2.540 11.612 ( -7.413 -2.866 -1.258) 8.047 11.827 ( -2.538 9.316 -0.291) 9.660 11.964 ( -1.052 3.129 -0.584) 3.352 12.169 ( -0.802 -1.791 -2.846) 3.457 12.233 ( -0.189 -0.138 6.461) 6.465 19.313 ( -3.141 0.549 5.060) 5.980 19.445 ( 1.201 -0.256 -4.829) 4.983 19.927 ( 6.764 -1.829 -3.240) 7.720 20.017 ( 8.412 -2.448 7.711) 11.671 20.505 ( -4.986 -1.838 0.265) 5.321 20.627 ( -6.968 1.762 -2.263) 7.535 20.814 ( -8.675 -9.368 4.745) 13.621 21.235 ( -3.480 -4.011 -4.079) 6.696 21.420 ( 3.146 -1.373 4.198) 5.423 21.548 ( 2.453 0.828 -0.920) 2.748 21.770 ( -4.914 -3.246 -8.758) 10.554 22.131 ( -4.888 -6.102 5.854) 9.767 22.665 ( -2.252 3.723 -0.056) 4.352 22.756 ( -3.780 2.056 0.797) 4.376 23.174 ( 5.994 11.741 -0.484) 13.192 23.347 ( 8.750 19.703 -6.422) 22.495 ======================= Grid point 166 (84/104) ======================= q-point: (-0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -13.365 12.959 19.079) 26.656 1.269 ( -9.565 16.379 20.962) 28.269 1.622 ( -3.181 7.879 -14.611) 16.902 1.964 ( -3.724 16.784 -8.865) 19.344 2.089 ( -15.599 25.502 23.343) 37.929 2.495 ( 7.519 2.806 8.250) 11.510 2.668 ( 0.218 -3.112 6.883) 7.557 2.761 ( 4.211 -3.490 -0.525) 5.494 2.819 ( 2.012 0.032 1.815) 2.710 2.952 ( -1.497 1.464 -1.078) 2.355 3.094 ( 3.252 -1.759 1.799) 4.112 3.266 ( 2.644 3.617 1.542) 4.739 3.303 ( 4.474 2.144 -1.343) 5.140 3.425 ( -5.042 9.218 0.265) 10.511 3.493 ( 3.851 2.037 -4.170) 6.031 3.575 ( -1.600 0.728 0.721) 1.900 3.615 ( 0.743 0.932 -3.837) 4.018 3.751 ( -0.100 5.892 -4.379) 7.342 3.844 ( 1.916 4.001 -2.399) 5.044 3.859 ( 0.213 8.880 -6.986) 11.301 3.905 ( 5.074 1.339 3.979) 6.586 3.990 ( -6.545 1.831 -5.569) 8.787 4.116 ( -1.310 4.389 3.071) 5.515 4.302 ( -2.345 -1.030 -9.186) 9.536 4.323 ( -5.994 -2.620 -1.522) 6.716 4.493 ( -0.354 0.357 1.783) 1.852 4.654 ( 2.334 -0.849 -7.448) 7.851 4.699 ( 0.791 4.582 -2.988) 5.527 4.858 ( -6.240 -1.320 0.717) 6.418 5.096 ( 1.737 -0.100 -2.620) 3.145 5.129 ( -3.216 -0.099 0.445) 3.248 5.275 ( -3.329 -0.680 -6.804) 7.605 5.447 ( 9.673 -1.790 1.297) 9.922 5.558 ( 1.738 -2.703 2.370) 3.993 5.633 ( -0.951 -6.094 5.815) 8.477 5.750 ( 0.680 1.722 0.852) 2.038 5.904 ( -1.012 -9.490 6.586) 11.596 5.955 ( 1.893 -5.270 -0.199) 5.603 6.058 ( 3.807 -1.042 0.712) 4.011 6.204 ( -2.787 -6.475 1.617) 7.232 6.249 ( 0.098 3.389 2.028) 3.950 6.343 ( -3.223 -1.332 0.842) 3.588 6.499 ( -1.440 -0.198 2.557) 2.942 6.790 ( -5.683 0.573 -4.949) 7.558 6.874 ( -1.579 0.890 0.799) 1.981 6.937 ( 6.084 4.985 -2.294) 8.193 7.143 ( 1.296 5.680 -1.438) 6.001 7.193 ( -2.181 3.119 -2.347) 4.471 8.373 ( 7.071 2.391 4.598) 8.767 8.631 ( -2.102 -3.648 2.300) 4.798 8.962 ( 0.992 6.011 -4.510) 7.580 9.068 ( 0.374 1.400 -8.743) 8.862 9.292 ( 8.453 1.954 7.738) 11.625 9.694 ( 7.639 4.512 -2.190) 9.138 9.845 ( -2.567 -9.449 -1.522) 9.909 9.989 ( -2.147 -0.315 1.238) 2.499 10.248 ( -9.781 2.981 -0.379) 10.233 10.283 ( 5.948 -14.005 6.640) 16.601 10.480 ( -0.500 3.582 -5.935) 6.950 10.872 ( 0.658 -12.461 -0.173) 12.479 10.911 ( -5.805 -9.353 -0.567) 11.022 11.299 ( -3.958 -4.088 -4.340) 7.156 11.367 ( -0.810 -6.306 2.366) 6.784 11.461 ( -6.004 -1.623 -1.611) 6.425 11.788 ( -1.246 12.006 2.611) 12.350 11.951 ( 0.271 4.344 -2.565) 5.052 12.188 ( 2.087 -3.272 3.575) 5.277 12.276 ( 0.938 -0.244 1.931) 2.160 19.305 ( -2.893 0.651 5.090) 5.891 19.424 ( 1.516 -0.046 -5.076) 5.298 20.010 ( 7.044 -0.584 -3.680) 7.969 20.268 ( 8.302 -8.529 5.432) 13.084 20.401 ( -6.717 -0.803 -2.007) 7.057 20.533 ( -0.165 -2.403 -0.636) 2.491 20.690 ( -11.539 -8.319 9.476) 17.093 21.037 ( -9.547 -4.498 -8.011) 13.250 21.518 ( 1.665 -2.624 4.758) 5.683 21.537 ( 1.015 1.896 0.922) 2.340 21.770 ( 6.817 -0.144 -0.832) 6.869 22.075 ( -6.560 -6.207 3.478) 9.678 22.640 ( -0.783 3.413 0.529) 3.542 22.704 ( -2.514 2.278 -0.186) 3.398 23.256 ( 3.499 12.480 0.297) 12.964 23.413 ( 6.927 24.591 -10.458) 27.606 ======================= Grid point 167 (85/104) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -3.492 20.085 12.580) 23.955 1.655 ( 2.173 13.326 5.969) 14.762 1.780 ( 2.717 15.445 1.632) 15.767 2.074 ( 1.763 8.116 -14.533) 16.739 2.534 ( -0.907 -10.931 5.244) 12.158 2.585 ( 0.559 -8.580 0.029) 8.598 2.734 ( -0.752 7.671 7.012) 10.420 2.778 ( 1.984 11.001 9.373) 14.588 2.802 ( -1.980 -5.564 2.020) 6.242 2.967 ( 3.313 6.365 -0.771) 7.217 3.193 ( -1.613 -1.595 6.639) 7.016 3.306 ( -2.612 9.739 0.655) 10.104 3.384 ( -0.641 2.133 0.562) 2.297 3.469 ( 1.112 4.937 -4.322) 6.655 3.556 ( -0.805 3.471 1.075) 3.722 3.624 ( -4.922 5.706 0.160) 7.537 3.673 ( 4.146 3.108 -1.347) 5.354 3.783 ( -3.632 3.119 -9.803) 10.910 3.834 ( -0.879 5.687 -1.674) 5.993 3.943 ( 1.570 5.458 -3.788) 6.827 4.027 ( 1.585 -0.195 6.641) 6.830 4.125 ( -1.370 7.982 -2.955) 8.621 4.158 ( -1.731 10.441 -3.102) 11.029 4.246 ( 1.352 2.507 -10.362) 10.747 4.419 ( 4.048 11.283 6.262) 13.525 4.567 ( -0.486 6.235 -5.813) 8.538 4.696 ( -1.940 5.466 3.654) 6.855 4.791 ( 2.145 5.890 -2.759) 6.849 4.977 ( -4.409 2.404 1.241) 5.173 5.021 ( 3.404 3.075 -2.682) 5.314 5.154 ( -2.989 3.005 3.024) 5.207 5.206 ( 1.342 2.440 -1.358) 3.098 5.460 ( -5.535 -6.189 2.029) 8.547 5.514 ( 4.067 -4.305 -1.260) 6.055 5.603 ( 3.549 -3.546 3.516) 6.126 5.686 ( -2.260 -8.130 -3.808) 9.258 5.749 ( -2.633 -3.555 6.865) 8.167 5.886 ( 1.797 -3.758 -4.424) 6.077 5.963 ( 4.018 -3.655 4.023) 6.759 6.081 ( -8.227 -6.099 -6.029) 11.884 6.234 ( 6.774 -5.126 3.610) 9.230 6.292 ( -2.182 -1.925 0.437) 2.942 6.538 ( 3.000 -0.681 3.829) 4.911 6.690 ( -0.271 0.710 -8.021) 8.057 6.865 ( -1.970 -3.925 6.729) 8.035 6.969 ( 1.278 -7.248 -2.502) 7.774 7.229 ( -1.072 3.618 0.039) 3.774 7.255 ( 1.844 3.973 -2.416) 5.002 8.546 ( 0.662 2.200 2.560) 3.440 8.575 ( 0.544 2.685 -0.221) 2.748 8.947 ( -3.922 -1.166 -0.623) 4.139 8.977 ( 0.222 -2.179 -2.825) 3.574 9.503 ( 0.830 1.531 10.283) 10.430 9.680 ( -1.447 -0.435 -6.161) 6.343 9.926 ( -6.178 -2.495 3.870) 7.705 9.953 ( 7.636 5.111 0.050) 9.188 10.085 ( 3.695 -5.157 5.654) 8.497 10.281 ( 0.399 -14.656 -8.695) 17.046 10.444 ( -7.846 2.917 -0.090) 8.372 10.500 ( 1.795 2.062 -6.558) 7.105 10.907 ( 5.719 -3.397 6.662) 9.414 11.023 ( -4.626 -7.559 -3.974) 9.712 11.272 ( 2.077 -5.988 1.211) 6.453 11.313 ( -1.553 -6.076 -2.257) 6.665 11.990 ( -0.728 5.444 1.601) 5.721 12.018 ( 0.507 5.622 -0.753) 5.695 12.157 ( -2.693 -3.187 6.855) 8.025 12.291 ( 3.271 -1.464 -6.147) 7.115 19.324 ( -2.025 1.230 4.426) 5.020 19.402 ( 0.852 -0.808 -2.769) 3.007 20.049 ( -8.135 -2.103 3.641) 9.157 20.090 ( 5.998 -1.921 -0.832) 6.353 20.460 ( 3.633 0.214 2.597) 4.471 20.519 ( -2.449 0.401 -2.990) 3.886 20.581 ( 3.400 -4.300 8.301) 9.948 20.753 ( -2.070 -6.710 -8.064) 10.693 21.533 ( -2.012 1.060 4.601) 5.132 21.601 ( 2.482 0.268 -1.245) 2.790 21.812 ( 0.747 -3.822 1.916) 4.340 21.871 ( -0.754 -4.874 -2.895) 5.719 22.718 ( 0.477 3.581 0.680) 3.676 22.732 ( -0.561 3.146 -0.549) 3.242 23.587 ( -0.768 13.796 4.576) 14.555 23.750 ( 1.680 11.459 -11.806) 16.538 ======================= Grid point 168 (86/104) ======================= q-point: ( 0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.288 17.244 9.442) 20.358 1.768 ( 12.321 15.336 -10.979) 22.529 1.926 ( 5.279 12.343 13.575) 19.091 1.984 ( 4.850 10.101 -16.958) 20.326 2.542 ( -2.549 -9.083 3.003) 9.900 2.602 ( 0.582 -6.805 -2.141) 7.158 2.696 ( -2.270 -2.057 -0.829) 3.174 2.816 ( -0.796 -10.042 0.860) 10.110 2.890 ( 0.344 11.536 5.861) 12.944 2.970 ( 2.022 11.482 -5.679) 12.969 3.183 ( -6.544 0.296 2.099) 6.879 3.297 ( -1.703 1.725 8.212) 8.562 3.350 ( -1.060 4.067 -0.323) 4.216 3.417 ( -4.008 11.808 -4.282) 13.185 3.528 ( -5.676 2.484 2.931) 6.854 3.609 ( 0.496 5.384 3.071) 6.219 3.636 ( 1.128 5.129 -2.673) 5.893 3.756 ( 4.815 7.146 0.651) 8.642 3.899 ( 2.388 3.128 4.300) 5.828 3.975 ( 2.775 5.199 -5.715) 8.209 4.104 ( 4.559 -2.622 3.261) 6.188 4.134 ( 0.504 15.478 0.671) 15.501 4.180 ( 5.715 4.384 5.380) 8.990 4.194 ( 3.584 4.805 -6.622) 8.932 4.446 ( -1.973 8.896 -9.396) 13.089 4.503 ( -2.703 4.917 2.603) 6.186 4.596 ( -8.495 8.659 1.090) 12.179 4.850 ( 2.061 0.276 -0.592) 2.162 4.892 ( -4.127 6.405 2.009) 7.880 5.079 ( -2.796 -3.486 0.968) 4.572 5.122 ( 4.316 5.355 0.373) 6.888 5.234 ( 0.236 5.952 1.092) 6.056 5.331 ( -8.936 -4.505 0.796) 10.039 5.535 ( 0.165 -1.494 -1.230) 1.942 5.635 ( 0.092 -7.056 -1.865) 7.299 5.691 ( 1.490 -7.576 3.785) 8.599 5.757 ( -0.581 -7.162 3.529) 8.005 5.824 ( -1.642 -4.994 -4.513) 6.928 5.946 ( -3.623 -5.924 -0.796) 6.990 6.149 ( 6.927 -3.902 5.897) 9.899 6.253 ( 2.088 -2.930 -6.183) 7.153 6.344 ( 2.867 -5.546 0.296) 6.250 6.594 ( 0.512 2.146 -5.130) 5.584 6.677 ( 5.500 -0.396 1.678) 5.763 6.892 ( -1.357 -3.433 4.487) 5.810 6.942 ( -0.466 -4.976 -3.368) 6.026 7.207 ( -1.338 3.860 0.288) 4.095 7.264 ( 1.573 3.269 -1.892) 4.092 8.493 ( -4.419 3.221 -0.701) 5.513 8.640 ( 4.162 2.509 -0.773) 4.920 8.921 ( -1.038 1.647 3.334) 3.861 8.988 ( 1.315 -0.558 1.913) 2.387 9.529 ( -8.808 0.293 -7.897) 11.833 9.546 ( -6.028 -0.027 10.089) 11.753 9.849 ( -2.188 4.617 -0.785) 5.169 10.062 ( 4.426 1.764 -2.552) 5.405 10.142 ( -3.605 -13.661 -9.800) 17.194 10.216 ( 5.269 -9.047 5.133) 11.660 10.374 ( -3.290 2.811 4.881) 6.523 10.551 ( 5.252 0.830 1.845) 5.628 10.842 ( -5.290 -11.127 -2.517) 12.575 11.155 ( 8.565 -6.074 0.774) 10.529 11.267 ( 2.882 -5.090 -0.930) 5.923 11.391 ( 7.378 -3.343 0.559) 8.119 11.981 ( -2.150 4.033 1.355) 4.767 12.024 ( 1.509 6.820 -0.790) 7.029 12.127 ( -5.868 -2.001 4.241) 7.511 12.304 ( 3.695 -3.030 -4.889) 6.837 19.332 ( -1.469 1.031 4.402) 4.753 19.399 ( 1.330 -0.814 -2.247) 2.735 19.945 ( -6.895 1.751 2.637) 7.587 20.165 ( 0.723 -5.481 -0.421) 5.544 20.407 ( -0.987 0.389 -1.421) 1.774 20.507 ( -0.818 -1.149 -0.947) 1.698 20.763 ( 12.070 -4.430 -5.039) 13.809 20.790 ( 8.285 -4.149 4.777) 10.425 21.520 ( -3.389 1.672 3.040) 4.850 21.614 ( 1.455 0.216 -3.144) 3.471 21.736 ( -6.427 -2.059 -0.298) 6.755 21.942 ( 6.240 -8.223 0.057) 10.323 22.730 ( 1.051 3.725 -0.614) 3.919 22.747 ( 2.172 3.076 0.788) 3.847 23.561 ( -6.684 13.948 3.115) 15.778 23.657 ( -2.733 11.299 -5.461) 12.844 ======================= Grid point 169 (87/104) ======================= q-point: ( 0.20 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 7.902 13.076 -1.217) 15.327 1.836 ( 6.234 14.634 -9.250) 18.400 1.964 ( 10.221 11.779 -14.263) 21.134 2.178 ( 9.654 10.062 9.386) 16.809 2.482 ( -7.675 -4.128 5.006) 10.050 2.570 ( 0.415 -0.500 -3.365) 3.427 2.647 ( -1.749 -6.081 -6.843) 9.320 2.765 ( -7.660 -2.354 5.554) 9.750 2.905 ( 1.680 0.579 -4.056) 4.428 2.987 ( 1.194 10.613 -1.407) 10.773 3.077 ( -3.251 -1.499 0.586) 3.628 3.270 ( -8.979 8.390 -0.362) 12.294 3.325 ( -2.404 8.622 4.563) 10.047 3.357 ( -1.088 -1.471 2.652) 3.222 3.496 ( 1.384 5.261 -0.117) 5.441 3.575 ( 1.323 2.230 -3.928) 4.707 3.745 ( -0.981 5.287 5.858) 7.952 3.813 ( -1.760 8.451 6.998) 11.113 3.913 ( -0.988 1.271 -1.177) 1.994 3.993 ( 2.028 5.980 3.282) 7.117 4.107 ( -2.010 17.502 -4.991) 18.310 4.198 ( 3.641 13.312 4.470) 14.507 4.271 ( -1.184 6.128 0.900) 6.306 4.333 ( 3.731 -0.482 -7.825) 8.682 4.402 ( 1.537 7.185 0.551) 7.368 4.436 ( 9.957 -1.037 2.169) 10.243 4.540 ( -2.155 0.156 6.306) 6.666 4.825 ( -7.230 -0.329 4.454) 8.498 4.844 ( -2.226 8.343 0.394) 8.644 5.082 ( 1.158 2.245 0.614) 2.599 5.140 ( -1.957 0.590 2.312) 3.086 5.250 ( 0.866 0.182 -2.668) 2.811 5.262 ( 2.866 -1.827 -0.405) 3.423 5.524 ( 0.504 -0.804 -1.484) 1.762 5.626 ( 0.061 -5.167 -1.824) 5.480 5.703 ( -2.985 -7.772 0.682) 8.353 5.751 ( 2.578 -10.514 -5.353) 12.077 5.856 ( 3.030 -4.218 5.576) 7.620 5.956 ( 4.065 -5.066 3.063) 7.181 6.164 ( -2.724 -4.195 -3.806) 6.285 6.246 ( -2.960 -5.337 -1.379) 6.257 6.397 ( 5.208 -0.996 -2.661) 5.933 6.566 ( 1.029 1.065 -3.907) 4.178 6.779 ( 1.572 -1.745 2.276) 3.271 6.866 ( -2.661 -1.226 2.247) 3.692 6.951 ( 3.806 -4.158 -2.740) 6.268 7.200 ( 0.314 4.155 0.276) 4.176 7.290 ( 2.877 2.468 -0.162) 3.795 8.401 ( -4.558 6.263 -2.064) 8.016 8.705 ( 4.269 4.719 -0.399) 6.376 8.930 ( -3.026 3.773 5.648) 7.436 9.006 ( -5.238 3.005 2.890) 6.694 9.293 ( -7.618 1.214 -6.165) 9.875 9.493 ( -9.614 -4.380 8.984) 13.868 9.830 ( 2.182 4.576 -4.818) 6.994 10.025 ( -0.447 -11.278 -7.964) 13.814 10.101 ( 4.665 1.484 -3.083) 5.785 10.350 ( 1.153 -11.628 3.944) 12.333 10.397 ( 4.024 1.826 5.549) 7.094 10.672 ( 4.915 -0.895 4.536) 6.748 10.773 ( -0.914 -13.941 -1.276) 14.029 11.168 ( -0.830 -12.398 -4.197) 13.116 11.393 ( 6.001 1.768 0.003) 6.256 11.533 ( 7.736 -2.405 0.895) 8.150 11.939 ( -4.240 3.790 2.064) 6.050 12.039 ( -1.487 -1.201 -1.552) 2.462 12.083 ( 0.428 4.913 3.987) 6.342 12.325 ( 3.584 -2.595 -4.884) 6.590 19.348 ( -1.072 0.743 4.238) 4.435 19.406 ( 1.618 -0.857 -2.083) 2.773 19.857 ( -5.465 1.924 1.616) 6.015 20.064 ( -7.324 -4.306 -3.760) 9.291 20.482 ( 6.619 -0.495 0.346) 6.646 20.540 ( 6.709 -2.851 -0.096) 7.290 20.877 ( 7.393 -0.059 -4.352) 8.579 21.024 ( 11.015 -4.962 4.194) 12.789 21.468 ( -4.622 1.910 1.047) 5.109 21.609 ( -0.073 1.885 -3.165) 3.684 21.632 ( -4.880 -1.847 2.725) 5.886 22.037 ( 5.383 -10.242 -1.779) 11.707 22.758 ( 2.712 4.463 -0.446) 5.241 22.805 ( 3.829 2.683 0.565) 4.710 23.434 ( -8.642 13.077 0.102) 15.675 23.557 ( -7.109 10.081 0.577) 12.349 ======================= Grid point 170 (88/104) ======================= q-point: ( 0.30 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 6.417 11.747 -12.628) 18.402 1.910 ( 3.998 11.688 1.884) 12.496 2.048 ( 9.142 7.632 -7.858) 14.268 2.305 ( -1.104 2.612 -0.046) 2.836 2.416 ( -4.196 5.327 4.943) 8.391 2.521 ( -2.341 -6.392 -8.430) 10.835 2.587 ( -3.936 7.028 0.951) 8.111 2.707 ( 1.494 13.102 6.570) 14.733 2.900 ( -1.443 -3.145 -3.109) 4.652 2.922 ( -2.227 -2.834 -4.641) 5.876 3.095 ( -7.371 7.454 -0.085) 10.483 3.100 ( -0.062 -0.068 1.041) 1.045 3.320 ( -4.518 5.446 5.065) 8.702 3.354 ( -3.653 4.699 4.637) 7.545 3.514 ( -1.926 -0.505 1.978) 2.806 3.615 ( 3.392 3.653 -2.874) 5.754 3.700 ( 3.020 8.368 -3.442) 9.539 3.846 ( -5.969 -0.726 2.326) 6.447 3.859 ( -2.231 4.471 7.608) 9.102 3.979 ( -5.385 12.467 -1.733) 13.690 4.115 ( 7.124 11.775 2.019) 13.910 4.153 ( -6.722 12.037 -0.602) 13.800 4.277 ( 2.460 8.914 1.157) 9.319 4.385 ( 4.714 -0.650 0.137) 4.760 4.474 ( -5.892 1.772 3.203) 6.936 4.574 ( 3.474 -2.130 7.423) 8.468 4.638 ( 5.556 1.705 2.039) 6.159 4.759 ( 1.258 0.335 2.094) 2.466 4.870 ( 4.153 6.690 2.336) 8.213 5.077 ( -0.703 7.091 -3.375) 7.885 5.180 ( 1.539 3.314 2.708) 4.548 5.246 ( 4.016 -2.565 -2.646) 5.451 5.357 ( 7.644 -6.874 -0.570) 10.296 5.486 ( -3.901 -1.641 -4.193) 5.958 5.621 ( 0.791 -3.156 -2.032) 3.837 5.639 ( 0.414 -8.825 -2.878) 9.292 5.787 ( 3.626 -9.984 -1.166) 10.686 5.942 ( -0.250 -3.954 3.704) 5.423 6.028 ( -3.054 -3.972 -2.355) 5.536 6.081 ( 4.372 -0.806 -1.121) 4.585 6.265 ( 4.112 -4.562 5.224) 8.063 6.427 ( 4.082 0.196 -6.263) 7.478 6.527 ( -4.390 -1.229 -0.377) 4.575 6.744 ( -3.021 0.353 -2.640) 4.027 6.866 ( -2.745 -1.105 2.493) 3.870 6.996 ( 3.794 -7.325 -2.674) 8.672 7.223 ( 1.753 5.549 1.051) 5.914 7.353 ( 3.498 1.691 0.797) 3.966 8.314 ( -3.555 7.712 -1.122) 8.566 8.779 ( -3.817 1.282 0.549) 4.064 8.787 ( -7.638 10.121 -1.374) 12.753 8.941 ( -2.893 6.189 6.561) 9.472 9.225 ( -0.307 0.675 -1.331) 1.523 9.380 ( -10.206 -4.389 5.953) 12.604 9.827 ( 2.526 4.653 -5.264) 7.466 9.977 ( 2.494 -9.522 -7.625) 12.451 10.194 ( 6.893 -4.188 0.196) 8.068 10.361 ( -1.028 -7.014 3.052) 7.718 10.567 ( 9.097 -5.715 3.307) 11.241 10.745 ( 0.699 -9.418 -0.095) 9.444 10.807 ( 2.367 -6.055 4.610) 7.970 11.109 ( -0.399 -8.077 -4.957) 9.485 11.417 ( -1.507 1.967 -2.212) 3.321 11.627 ( 2.160 -3.064 -0.626) 3.801 11.886 ( -4.069 2.740 3.115) 5.812 12.007 ( -1.195 -3.864 1.558) 4.334 12.166 ( 4.698 5.423 2.012) 7.452 12.344 ( 3.951 -1.097 -5.397) 6.778 19.365 ( -1.283 0.524 4.148) 4.374 19.417 ( 1.813 -0.912 -2.341) 3.098 19.789 ( -3.651 0.986 1.005) 3.913 19.919 ( -5.133 -2.260 -3.844) 6.799 20.594 ( 7.353 -0.463 -0.551) 7.388 20.710 ( 9.706 -3.874 2.601) 10.769 20.946 ( 4.602 2.855 -3.320) 6.352 21.177 ( 3.108 -4.112 0.960) 5.243 21.389 ( -5.259 2.472 0.851) 5.873 21.536 ( -3.536 4.987 -0.758) 6.160 21.668 ( 2.890 -5.908 4.804) 8.145 22.090 ( 3.681 -10.705 -4.021) 12.013 22.816 ( 4.322 5.386 -0.146) 6.907 22.887 ( 5.371 2.718 0.092) 6.021 23.286 ( -8.592 11.204 0.226) 14.121 23.420 ( -9.373 8.494 0.884) 12.680 ======================= Grid point 171 (89/104) ======================= q-point: ( 0.40 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 6.696 9.796 -2.143) 12.058 1.996 ( 6.097 9.345 -0.937) 11.198 2.121 ( 2.071 2.547 2.347) 4.035 2.278 ( -3.339 3.772 5.873) 7.737 2.355 ( -3.903 6.238 1.203) 7.457 2.411 ( -2.204 0.560 -9.836) 10.095 2.519 ( -0.031 3.833 -6.159) 7.254 2.741 ( -4.137 1.572 -4.967) 6.652 2.818 ( -1.143 11.677 -5.116) 12.800 2.910 ( 1.152 3.952 1.275) 4.310 3.000 ( -2.169 0.740 0.729) 2.405 3.126 ( 0.922 2.132 1.938) 3.026 3.191 ( -11.789 0.914 0.125) 11.825 3.309 ( -3.614 7.643 1.834) 8.651 3.504 ( -0.288 5.300 3.897) 6.585 3.659 ( 1.540 1.269 -1.408) 2.442 3.721 ( -1.068 2.042 5.136) 5.629 3.844 ( 5.447 0.406 -2.339) 5.942 3.898 ( 0.034 1.363 5.218) 5.393 3.923 ( -2.832 9.517 6.406) 11.816 4.063 ( -2.906 16.638 0.513) 16.898 4.212 ( -12.530 -1.024 2.762) 12.871 4.289 ( 9.660 14.540 0.520) 17.464 4.371 ( -0.305 4.975 -0.772) 5.044 4.482 ( 1.530 -2.212 3.905) 4.741 4.624 ( -3.946 0.763 6.524) 7.662 4.765 ( 4.454 2.338 4.385) 6.673 4.846 ( 5.734 1.686 -3.135) 6.749 4.968 ( 3.202 3.771 2.356) 5.479 5.032 ( 1.153 4.763 -4.334) 6.542 5.203 ( 1.016 2.322 -1.261) 2.831 5.255 ( -1.520 -0.235 -10.327) 10.441 5.418 ( 1.162 -1.469 4.704) 5.063 5.491 ( 7.888 -6.116 -0.952) 10.027 5.617 ( 1.694 -7.245 -3.822) 8.365 5.661 ( 3.165 -4.621 -3.398) 6.551 5.839 ( 2.962 -8.898 1.398) 9.482 5.920 ( -1.661 -9.102 1.427) 9.361 5.981 ( -0.610 -1.452 0.132) 1.580 6.196 ( 4.206 5.388 0.319) 6.843 6.301 ( -3.283 -5.355 1.203) 6.396 6.436 ( -3.411 -0.148 0.621) 3.470 6.512 ( 7.636 0.083 -3.231) 8.292 6.657 ( -3.894 3.587 -3.366) 6.275 6.806 ( -3.086 -2.933 0.142) 4.260 7.007 ( -0.911 -8.307 -2.079) 8.612 7.281 ( 3.078 5.111 2.587) 6.503 7.403 ( 1.567 1.327 -0.147) 2.059 8.272 ( -0.950 7.298 0.748) 7.397 8.518 ( -11.470 5.691 -2.890) 13.127 8.866 ( 4.270 5.017 1.580) 6.775 8.959 ( -3.143 6.453 8.031) 10.771 9.175 ( -4.049 2.148 -0.246) 4.591 9.290 ( -3.466 -1.506 0.685) 3.841 9.825 ( 0.140 2.415 -0.870) 2.571 9.968 ( 4.757 -8.829 -9.526) 13.832 10.302 ( 2.588 -6.588 4.143) 8.202 10.383 ( 2.163 -6.795 0.349) 7.140 10.712 ( 2.046 -10.087 -0.305) 10.297 10.774 ( 5.107 -18.644 -3.104) 19.579 10.833 ( -1.667 3.345 6.018) 7.084 11.116 ( 4.142 1.502 -2.674) 5.154 11.346 ( -3.526 -2.264 -0.113) 4.192 11.592 ( -4.087 -3.140 -2.515) 5.735 11.877 ( 0.259 1.083 2.968) 3.170 11.999 ( -2.264 -3.857 1.780) 4.813 12.257 ( 3.749 4.184 1.329) 5.773 12.364 ( 3.122 0.714 -4.628) 5.628 19.373 ( -2.012 0.485 4.112) 4.604 19.428 ( 1.977 -1.056 -2.558) 3.401 19.752 ( -1.645 0.301 0.905) 1.901 19.827 ( -2.139 -1.336 -3.011) 3.928 20.722 ( 7.180 -0.183 0.372) 7.192 20.874 ( 5.977 -5.308 0.566) 8.014 20.985 ( 3.290 4.628 -0.951) 5.757 21.167 ( -3.402 -2.356 0.071) 4.139 21.317 ( -4.220 3.930 2.677) 6.358 21.473 ( -1.784 7.034 -3.966) 8.270 21.785 ( 3.175 -9.443 8.053) 12.810 22.095 ( 1.834 -10.826 -5.765) 12.402 22.903 ( 5.718 6.556 0.181) 8.701 22.991 ( 6.712 3.428 -0.249) 7.541 23.147 ( -7.717 9.096 0.242) 11.931 23.262 ( -9.266 6.679 0.168) 11.424 ======================= Grid point 172 (90/104) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.064 7.004 5.979) 9.209 2.048 ( -1.056 9.356 -6.066) 11.200 2.180 ( 1.538 2.249 6.290) 6.855 2.239 ( -4.665 7.247 4.697) 9.815 2.308 ( 3.261 4.928 -4.832) 7.633 2.439 ( 6.667 0.750 5.525) 8.692 2.452 ( 1.552 1.153 -11.267) 11.431 2.604 ( -3.880 -1.288 -10.266) 11.050 2.790 ( 2.430 7.108 0.286) 7.517 2.826 ( -6.829 3.991 -2.541) 8.308 3.013 ( 1.384 3.345 1.807) 4.045 3.055 ( -1.603 0.687 -1.579) 2.352 3.215 ( 3.299 9.409 3.442) 10.548 3.264 ( -1.496 10.377 -0.592) 10.501 3.526 ( -3.679 4.143 5.677) 7.933 3.629 ( 1.471 3.191 -2.852) 4.525 3.798 ( -1.652 -1.636 7.272) 7.635 3.905 ( -0.729 0.249 4.335) 4.402 3.937 ( -1.467 3.483 -2.217) 4.382 3.969 ( 6.155 1.115 0.975) 6.330 4.049 ( -2.005 12.062 2.239) 12.431 4.075 ( 1.920 12.058 1.736) 12.333 4.314 ( -6.883 11.435 3.513) 13.801 4.431 ( 5.403 6.488 -6.012) 10.365 4.547 ( 1.240 0.710 5.111) 5.307 4.566 ( -4.382 -0.904 4.526) 6.364 4.831 ( -6.189 -0.567 0.297) 6.222 4.887 ( 2.135 2.098 9.296) 9.766 4.980 ( 2.574 0.891 -8.709) 9.124 5.037 ( -4.278 3.612 7.314) 9.211 5.130 ( 0.790 1.627 -8.973) 9.154 5.246 ( 8.243 -0.318 -10.414) 13.286 5.487 ( 0.308 -2.500 3.931) 4.669 5.569 ( 0.478 -4.579 -3.919) 6.046 5.608 ( 1.574 -4.039 0.336) 4.348 5.665 ( -0.089 -5.874 -3.852) 7.025 5.904 ( 1.752 -9.229 0.455) 9.405 5.907 ( -0.883 -7.765 -0.112) 7.816 6.037 ( 5.600 -1.557 4.046) 7.082 6.096 ( -8.475 -3.066 -1.171) 9.089 6.355 ( 3.239 3.178 4.187) 6.174 6.414 ( -4.402 0.193 0.200) 4.410 6.524 ( 3.215 4.394 -2.812) 6.128 6.557 ( -4.343 5.153 -4.469) 8.086 6.851 ( 3.236 -5.793 3.743) 7.618 6.935 ( -2.382 -7.662 -3.920) 8.931 7.349 ( 0.636 3.375 2.949) 4.526 7.405 ( 0.715 1.761 -2.205) 2.911 8.302 ( 2.228 6.378 2.573) 7.230 8.363 ( -2.520 6.765 -3.405) 7.982 8.938 ( -5.487 3.706 4.427) 7.965 8.962 ( 5.252 3.657 1.805) 6.649 9.156 ( 0.804 3.413 3.372) 4.865 9.242 ( -1.319 2.061 -3.243) 4.063 9.812 ( -2.882 -0.592 3.048) 4.236 9.962 ( 4.132 -7.292 -10.001) 13.048 10.346 ( -1.772 -6.208 5.020) 8.178 10.432 ( 3.917 -7.799 -2.885) 9.192 10.698 ( -2.658 -14.666 1.371) 14.968 10.724 ( -3.089 -9.634 -0.959) 10.162 10.964 ( 3.680 -1.812 5.093) 6.539 11.096 ( -0.487 5.939 -6.975) 9.174 11.381 ( 4.043 -5.658 5.158) 8.658 11.480 ( -4.148 -2.966 -4.360) 6.709 11.931 ( 2.510 -0.846 2.769) 3.831 11.957 ( -3.378 -2.324 0.505) 4.131 12.301 ( -0.598 3.269 1.684) 3.726 12.364 ( 1.299 1.832 -4.125) 4.697 19.368 ( -2.680 0.668 4.052) 4.903 19.439 ( 1.772 -1.355 -2.459) 3.320 19.746 ( -0.059 -0.050 1.079) 1.082 19.790 ( 0.556 -1.084 -2.635) 2.903 20.827 ( 3.312 -0.485 1.683) 3.746 20.865 ( -4.421 -0.927 -1.954) 4.921 21.078 ( 2.951 -0.909 0.978) 3.239 21.102 ( -0.621 -1.372 -1.289) 1.982 21.302 ( -1.885 6.062 5.437) 8.358 21.413 ( 0.255 7.435 -5.250) 9.105 21.891 ( 0.573 -10.394 8.333) 13.334 22.053 ( -0.183 -10.945 -7.178) 13.090 23.008 ( 2.915 7.957 0.755) 8.508 23.022 ( -3.196 7.092 -0.525) 7.796 23.092 ( -3.461 5.641 2.217) 6.979 23.145 ( 4.348 4.355 -2.777) 6.751 ======================= Grid point 173 (91/104) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -13.290 11.188 -1.171) 17.412 1.972 ( -2.515 7.693 0.327) 8.100 2.147 ( -11.398 8.481 3.927) 14.740 2.272 ( 3.937 2.372 2.382) 5.177 2.356 ( -0.573 -3.944 -4.680) 6.147 2.477 ( 10.685 7.474 -2.334) 13.247 2.496 ( 3.885 -1.883 -9.481) 10.417 2.625 ( 9.358 1.026 4.101) 10.269 2.738 ( -0.232 3.328 2.228) 4.011 2.916 ( 5.047 5.606 3.657) 8.383 3.006 ( -0.584 5.183 -2.038) 5.600 3.138 ( 9.503 3.867 2.808) 10.637 3.191 ( -2.169 11.269 -2.202) 11.685 3.312 ( 2.502 7.089 0.500) 7.534 3.482 ( -5.364 4.813 5.426) 9.021 3.664 ( 2.667 1.686 -1.616) 3.545 3.768 ( -5.008 2.715 3.580) 6.728 3.853 ( -1.298 2.471 -4.810) 5.562 3.912 ( -2.200 1.998 3.087) 4.285 4.043 ( 2.452 2.464 -2.054) 4.038 4.083 ( 1.347 14.199 -1.528) 14.345 4.196 ( -3.067 10.489 4.791) 11.933 4.265 ( 8.655 6.491 1.385) 10.907 4.411 ( -0.942 2.108 -3.230) 3.970 4.462 ( -6.862 -0.429 4.200) 8.057 4.678 ( -2.581 -0.614 -1.849) 3.234 4.724 ( 0.460 5.882 8.229) 10.126 4.900 ( -4.470 -2.768 1.353) 5.429 4.936 ( -5.753 1.139 1.616) 6.083 5.077 ( 1.365 2.350 -6.682) 7.214 5.087 ( 4.792 4.388 0.938) 6.565 5.288 ( 5.417 0.296 -8.742) 10.288 5.476 ( -4.267 -3.714 0.304) 5.665 5.527 ( -0.824 -5.020 0.708) 5.136 5.573 ( -3.676 -6.043 -5.538) 8.983 5.615 ( -2.928 -1.804 0.777) 3.525 5.851 ( -4.747 -7.319 -0.310) 8.729 5.933 ( 1.328 -9.522 -0.169) 9.616 5.996 ( -1.960 -0.523 0.169) 2.036 6.162 ( -0.688 -0.040 3.340) 3.410 6.326 ( 0.463 -1.700 -1.753) 2.485 6.415 ( -3.326 2.619 5.342) 6.816 6.477 ( 1.266 1.860 -3.104) 3.834 6.611 ( 4.894 4.829 1.362) 7.009 6.814 ( -2.776 -8.583 -0.195) 9.022 6.977 ( 3.375 -6.463 -0.040) 7.291 7.324 ( -2.975 4.455 -0.983) 5.446 7.411 ( 0.143 1.905 -0.869) 2.099 8.297 ( 0.121 7.496 -1.486) 7.643 8.464 ( 10.953 6.581 1.937) 12.924 8.871 ( -4.870 2.545 1.400) 5.670 9.068 ( 4.570 3.544 0.228) 5.788 9.194 ( 0.192 2.964 -3.202) 4.368 9.243 ( 5.297 3.278 4.085) 7.449 9.776 ( -4.788 -3.632 3.880) 7.154 9.939 ( 1.967 -5.590 -6.899) 9.095 10.321 ( -4.732 -7.539 0.991) 8.956 10.449 ( 1.993 -8.040 -4.836) 9.592 10.657 ( -4.416 -12.799 4.372) 14.228 10.704 ( -1.605 -10.064 3.502) 10.776 10.936 ( -3.775 1.857 -0.797) 4.282 11.087 ( 0.066 2.649 -3.140) 4.109 11.396 ( 1.074 -3.923 -3.984) 5.694 11.518 ( 4.307 -5.061 4.459) 8.003 11.913 ( -1.264 0.193 -0.153) 1.288 11.992 ( 1.364 -2.230 2.279) 3.468 12.271 ( -4.099 3.646 2.420) 5.996 12.331 ( -1.273 1.470 -4.075) 4.516 19.354 ( -2.914 0.922 4.094) 5.109 19.444 ( 1.163 -1.625 -2.259) 3.017 19.764 ( 0.907 -0.174 1.242) 1.548 19.802 ( 3.378 -1.283 -2.295) 4.280 20.739 ( -7.862 0.137 -1.191) 7.953 20.850 ( -3.046 -2.693 2.475) 4.760 20.999 ( -5.829 2.286 -1.821) 6.521 21.175 ( 3.657 -2.777 -0.679) 4.642 21.334 ( 1.428 4.863 2.628) 5.709 21.423 ( 3.982 6.645 -0.759) 7.784 21.928 ( -3.777 -11.002 1.262) 11.701 21.983 ( -0.682 -9.883 -1.810) 10.071 22.909 ( -5.747 6.043 -0.426) 8.350 22.973 ( -6.868 4.105 1.247) 8.098 23.149 ( 7.799 9.275 0.022) 12.118 23.289 ( 11.092 6.496 -2.001) 13.009 ======================= Grid point 174 (92/104) ======================= q-point: (-0.30 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -13.469 14.926 4.893) 20.692 1.908 ( -11.120 8.603 4.229) 14.681 1.982 ( -3.058 12.979 -2.897) 13.645 2.290 ( -2.967 -2.242 -0.513) 3.754 2.362 ( 2.478 -3.948 4.855) 6.731 2.526 ( 5.559 -2.250 -5.242) 7.965 2.621 ( 6.589 6.205 -0.308) 9.056 2.801 ( 2.755 8.046 -0.760) 8.538 2.826 ( 8.473 2.215 3.631) 9.480 2.917 ( -2.817 10.293 -6.216) 12.349 3.025 ( 3.384 3.113 4.974) 6.774 3.152 ( -0.430 0.849 -2.612) 2.780 3.304 ( -2.794 16.344 5.590) 17.498 3.363 ( 6.549 4.729 3.072) 8.643 3.504 ( 4.641 -0.698 2.961) 5.549 3.632 ( -3.751 -2.231 -3.534) 5.616 3.710 ( -1.331 10.343 -2.200) 10.657 3.876 ( 5.605 -4.316 -2.063) 7.369 3.896 ( -1.528 4.678 2.783) 5.654 3.974 ( -3.859 10.945 -0.430) 11.613 4.100 ( -1.698 11.777 2.813) 12.227 4.173 ( 1.619 3.729 -2.233) 4.639 4.312 ( -6.326 7.246 3.850) 10.361 4.345 ( -3.487 4.153 -1.860) 5.733 4.540 ( 4.011 -3.025 -0.405) 5.040 4.633 ( 4.364 -0.607 -0.429) 4.427 4.769 ( -2.196 1.763 -5.513) 6.191 4.804 ( -0.455 2.530 -4.131) 4.865 4.920 ( 0.226 3.095 6.698) 7.382 5.005 ( -1.807 5.368 -4.132) 7.011 5.184 ( 0.994 1.923 2.776) 3.520 5.248 ( -1.985 0.797 -4.879) 5.328 5.369 ( -6.652 -7.342 -1.757) 10.062 5.492 ( -0.281 -3.383 -3.380) 4.790 5.556 ( -2.163 -3.276 3.881) 5.520 5.585 ( 3.150 -3.781 1.121) 5.047 5.773 ( -4.306 -6.559 0.401) 7.856 5.972 ( 1.656 -6.686 2.341) 7.275 5.985 ( 1.340 -3.821 -0.541) 4.085 6.073 ( -7.403 4.511 0.348) 8.676 6.325 ( -2.042 -1.286 1.118) 2.659 6.361 ( -5.164 -0.745 -1.841) 5.533 6.541 ( 5.775 -1.848 -1.401) 6.224 6.691 ( 3.994 -0.829 1.730) 4.431 6.831 ( 0.777 -7.525 4.662) 8.886 6.986 ( -1.292 -5.540 -1.423) 5.864 7.263 ( -2.059 5.825 -2.335) 6.605 7.378 ( -2.592 2.271 -1.275) 3.674 8.309 ( 2.358 8.570 -0.775) 8.922 8.717 ( 14.726 6.844 3.798) 16.677 8.796 ( -4.328 2.040 -0.151) 4.787 9.082 ( 0.601 2.325 -4.372) 4.988 9.197 ( 0.472 2.007 0.274) 2.080 9.425 ( 11.507 2.772 2.779) 12.158 9.725 ( -3.995 -4.856 2.952) 6.947 9.918 ( -0.002 -4.693 -1.963) 5.087 10.206 ( -7.507 -6.313 -1.644) 9.945 10.434 ( 1.284 -10.324 -3.847) 11.092 10.588 ( -6.854 -9.176 1.260) 11.522 10.710 ( -1.089 -7.087 3.237) 7.867 10.926 ( 1.877 -0.211 -3.031) 3.571 11.008 ( -4.584 -1.758 1.303) 5.080 11.411 ( 2.108 -1.542 -1.968) 3.270 11.589 ( -0.394 -5.267 3.138) 6.143 11.926 ( 2.664 2.558 0.167) 3.697 11.998 ( -2.230 -1.955 1.091) 3.160 12.229 ( -5.666 1.317 5.000) 7.671 12.257 ( -0.326 2.640 -5.740) 6.326 19.341 ( -2.815 1.090 4.209) 5.180 19.440 ( 0.687 -1.599 -2.251) 2.845 19.806 ( 2.824 -0.537 1.612) 3.296 19.862 ( 5.142 -1.649 -1.084) 5.508 20.594 ( -7.758 0.039 -0.480) 7.773 20.756 ( -8.609 -6.173 -1.195) 10.661 20.884 ( -6.823 6.123 1.951) 9.373 21.198 ( -0.638 -4.424 -0.856) 4.551 21.388 ( 2.792 3.692 0.930) 4.721 21.510 ( 5.008 4.104 1.006) 6.553 21.805 ( -4.925 -8.456 -6.750) 11.887 21.990 ( -2.115 -9.266 4.875) 10.682 22.817 ( -4.484 5.211 -0.291) 6.881 22.878 ( -5.225 3.070 0.866) 6.122 23.287 ( 8.073 10.963 -0.028) 13.615 23.474 ( 13.016 8.537 -3.559) 15.968 ======================= Grid point 175 (93/104) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -9.865 17.373 14.018) 24.406 1.723 ( -14.670 16.469 9.292) 23.932 1.938 ( -0.013 10.436 -7.337) 12.757 2.222 ( -5.564 -0.096 2.117) 5.954 2.456 ( 1.458 -6.538 6.826) 9.564 2.576 ( 4.098 -4.229 -2.482) 6.391 2.674 ( -0.014 4.623 -6.893) 8.299 2.759 ( -3.248 15.160 5.370) 16.408 2.836 ( -4.127 5.242 3.619) 7.591 2.917 ( -1.546 2.762 -2.012) 3.750 3.120 ( 2.195 -0.500 -2.442) 3.321 3.178 ( 6.610 8.698 6.428) 12.675 3.310 ( -1.229 13.617 4.976) 14.550 3.447 ( 4.762 -4.515 -4.294) 7.842 3.526 ( -0.541 -0.764 -3.904) 4.014 3.621 ( 4.654 -0.370 -1.972) 5.068 3.716 ( 0.025 8.898 2.882) 9.353 3.859 ( -3.867 4.019 2.468) 6.099 3.950 ( 4.241 7.937 -0.175) 9.001 4.024 ( -2.846 15.125 3.030) 15.686 4.063 ( 5.202 -3.660 -1.650) 6.571 4.168 ( -6.462 1.411 4.458) 7.977 4.265 ( -0.229 11.744 -2.906) 12.100 4.334 ( 7.272 6.989 -0.202) 10.088 4.468 ( -9.092 -0.224 -2.288) 9.378 4.551 ( -4.290 7.111 -14.619) 16.813 4.671 ( -0.302 -2.648 -4.785) 5.477 4.904 ( 0.990 9.916 -5.606) 11.434 4.918 ( 2.682 2.610 -1.131) 3.910 5.050 ( 5.726 -1.403 4.364) 7.334 5.156 ( 0.145 0.132 0.274) 0.337 5.222 ( -0.275 0.473 -0.050) 0.549 5.264 ( -2.852 -6.225 -1.368) 6.983 5.503 ( 1.471 -3.266 0.742) 3.658 5.539 ( -1.890 -0.861 5.097) 5.504 5.662 ( -2.594 -10.265 3.751) 11.233 5.731 ( 3.670 -3.185 -2.308) 5.380 5.928 ( -5.710 0.053 -0.505) 5.733 5.997 ( -0.680 0.243 0.563) 0.916 6.077 ( 3.432 -9.053 1.992) 9.885 6.261 ( -1.798 -3.880 -2.659) 5.035 6.308 ( -2.373 1.041 3.731) 4.542 6.564 ( -1.036 0.015 -2.176) 2.410 6.763 ( 0.538 -7.058 2.658) 7.561 6.876 ( 0.283 -6.239 3.779) 7.300 6.933 ( -1.944 -2.052 -3.127) 4.215 7.226 ( 0.258 5.240 -2.133) 5.663 7.315 ( -2.782 2.626 -1.945) 4.291 8.363 ( 3.824 8.183 1.016) 9.090 8.705 ( -5.213 4.295 -0.291) 6.761 9.009 ( 11.916 3.812 3.074) 12.883 9.053 ( 0.859 -2.218 -4.035) 4.684 9.197 ( 0.165 1.097 1.404) 1.790 9.632 ( 8.994 -0.530 1.359) 9.111 9.706 ( -0.137 -3.437 0.930) 3.563 9.910 ( -0.510 -1.697 2.937) 3.431 10.080 ( -4.167 -1.807 -1.645) 4.831 10.425 ( -1.566 -14.766 -2.945) 15.138 10.486 ( -1.083 -0.649 -2.299) 2.623 10.712 ( -1.784 -4.898 1.536) 5.435 10.825 ( -4.029 -3.289 -7.614) 9.220 11.058 ( 1.706 -9.011 6.794) 11.414 11.400 ( -2.578 -0.275 -0.837) 2.724 11.544 ( -6.532 -3.877 0.119) 7.597 11.974 ( -1.154 -0.150 3.565) 3.751 11.985 ( 3.349 4.765 -1.716) 6.071 12.136 ( -5.616 -0.586 1.716) 5.902 12.264 ( 2.471 1.945 -1.680) 3.565 19.330 ( -2.629 1.181 4.248) 5.133 19.430 ( 0.585 -1.291 -2.616) 2.975 19.892 ( 5.859 -1.239 0.427) 6.004 19.962 ( 5.617 -2.756 3.403) 7.122 20.480 ( -4.970 -0.644 0.270) 5.019 20.566 ( -10.494 -4.873 -2.375) 11.812 20.788 ( -7.991 4.005 3.927) 9.763 21.114 ( -6.974 -6.564 -3.918) 10.347 21.445 ( 2.147 2.519 2.692) 4.266 21.573 ( 0.400 1.345 0.622) 1.535 21.712 ( 1.760 -2.356 -4.724) 5.564 21.981 ( -3.063 -8.329 3.277) 9.460 22.753 ( -2.884 4.580 0.044) 5.413 22.807 ( -3.647 2.679 0.326) 4.537 23.420 ( 6.868 12.451 0.602) 14.232 23.657 ( 13.125 9.753 -7.379) 17.940 ======================= Grid point 176 (94/104) ======================= q-point: (-0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -7.568 18.457 15.526) 25.278 1.609 ( -9.364 18.006 15.096) 25.295 1.831 ( -2.722 11.970 -9.219) 15.352 2.152 ( -1.735 3.707 -3.986) 5.713 2.499 ( -1.414 -7.009 5.451) 8.991 2.590 ( -0.008 -10.614 -1.240) 10.686 2.666 ( 3.316 6.472 2.173) 7.590 2.725 ( -9.959 26.213 13.504) 31.123 2.820 ( -1.368 -6.802 3.202) 7.641 2.909 ( 4.360 2.045 -3.178) 5.770 3.162 ( 1.639 -3.029 1.469) 3.744 3.294 ( -0.282 14.890 7.238) 16.559 3.352 ( 3.863 2.208 -1.041) 4.570 3.476 ( 4.239 -0.809 -6.592) 7.879 3.536 ( 3.568 0.702 -1.992) 4.146 3.650 ( 0.397 0.698 -2.307) 2.443 3.708 ( -3.498 7.451 1.332) 8.338 3.820 ( -4.388 2.046 5.930) 7.655 3.959 ( -1.849 6.208 -6.501) 9.177 3.982 ( 1.483 8.120 -5.331) 9.827 4.020 ( -6.629 1.978 1.705) 7.125 4.201 ( 1.467 16.295 1.551) 16.434 4.255 ( -6.573 1.299 -5.186) 8.473 4.300 ( 2.978 7.753 -1.787) 8.495 4.330 ( -2.520 5.631 -12.369) 13.822 4.503 ( 7.536 2.202 2.711) 8.306 4.663 ( 3.492 2.887 -4.352) 6.283 4.849 ( -4.448 8.023 -0.048) 9.174 4.939 ( 3.244 7.558 -1.800) 8.419 5.083 ( -1.507 -1.793 -0.219) 2.352 5.148 ( -0.974 3.781 -1.649) 4.239 5.231 ( -1.320 -0.831 -0.323) 1.594 5.360 ( 12.081 -6.303 0.484) 13.635 5.497 ( -1.343 -3.420 1.249) 3.881 5.578 ( -2.552 -3.438 3.017) 5.238 5.668 ( 2.981 -4.920 6.444) 8.638 5.758 ( -1.065 -7.684 -2.866) 8.270 5.862 ( -0.860 -1.536 0.741) 1.910 5.994 ( -0.016 -4.631 -5.744) 7.378 6.099 ( 1.223 -4.164 5.505) 7.010 6.243 ( -3.036 -4.991 -1.995) 6.173 6.311 ( -2.330 -0.526 4.718) 5.288 6.503 ( -1.526 -1.402 -1.064) 2.329 6.752 ( -2.752 -3.878 0.443) 4.776 6.873 ( -2.716 -1.893 0.166) 3.314 6.930 ( 3.560 -6.054 0.437) 7.037 7.232 ( 1.613 4.065 -1.432) 4.601 7.261 ( -1.024 3.219 -2.138) 3.998 8.454 ( 4.770 5.960 2.266) 7.963 8.623 ( -4.271 3.162 0.691) 5.359 9.011 ( -1.076 -2.153 -3.142) 3.957 9.051 ( -3.243 -3.410 -4.646) 6.613 9.346 ( 7.253 2.940 9.194) 12.074 9.712 ( 1.838 -0.713 -4.003) 4.462 9.775 ( 6.045 -4.446 6.385) 9.852 9.960 ( 0.985 -2.720 3.930) 4.880 10.040 ( -0.150 3.940 -0.772) 4.018 10.325 ( -2.561 -6.485 -4.514) 8.306 10.520 ( 5.342 -2.933 -6.998) 9.280 10.617 ( -7.834 -2.188 -4.064) 9.093 10.770 ( 1.706 -6.994 2.660) 7.674 11.119 ( -1.498 -10.674 4.157) 11.553 11.297 ( -5.926 -2.312 -3.160) 7.103 11.409 ( -6.968 -3.482 -0.995) 7.853 11.991 ( -0.983 4.067 2.084) 4.674 12.006 ( 1.360 5.903 -0.739) 6.103 12.119 ( -0.511 -3.302 5.534) 6.465 12.286 ( 2.768 0.477 -4.013) 4.898 19.324 ( -2.394 1.248 4.294) 5.072 19.415 ( 0.593 -0.955 -2.986) 3.191 19.995 ( 6.621 -0.810 -1.965) 6.954 20.092 ( 1.095 -6.774 7.160) 9.918 20.393 ( -3.358 0.004 -0.364) 3.377 20.465 ( 0.526 -2.708 2.707) 3.865 20.667 ( -9.259 2.029 2.424) 9.784 20.922 ( -8.652 -6.254 -6.318) 12.405 21.505 ( 0.831 0.909 4.374) 4.544 21.571 ( 0.184 1.084 0.984) 1.475 21.752 ( 4.549 -1.029 -2.041) 5.091 21.939 ( -3.733 -6.814 0.373) 7.778 22.720 ( -1.199 4.066 0.388) 4.257 22.758 ( -2.121 2.754 -0.206) 3.483 23.527 ( 3.983 13.467 2.299) 14.230 23.768 ( 8.683 10.409 -11.604) 17.843 ======================= Grid point 177 (95/104) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -1.744 17.617 7.771) 19.334 1.924 ( 0.247 13.438 3.468) 13.881 2.043 ( 2.168 5.962 1.825) 6.601 2.136 ( 1.558 -3.881 -4.389) 6.062 2.315 ( -0.830 -6.217 9.821) 11.653 2.422 ( 0.846 -7.619 6.294) 9.919 2.568 ( 0.186 -5.637 -7.139) 9.098 2.639 ( 0.678 -8.190 -8.083) 11.527 3.047 ( 0.446 2.702 3.504) 4.447 3.078 ( 0.080 1.412 2.633) 2.989 3.206 ( 0.382 6.436 3.572) 7.371 3.325 ( 2.181 -4.341 -7.677) 9.085 3.529 ( -7.161 4.934 6.355) 10.770 3.552 ( -3.893 1.273 6.466) 7.654 3.652 ( 2.766 3.813 -0.417) 4.729 3.699 ( 4.222 -0.670 -2.212) 4.813 3.804 ( -1.195 12.084 2.110) 12.325 3.869 ( -3.958 5.785 6.417) 9.503 3.934 ( -2.158 2.097 -5.803) 6.536 4.006 ( -3.205 -0.915 2.062) 3.919 4.089 ( 0.697 5.080 -0.753) 5.182 4.150 ( 0.883 4.036 -11.151) 11.892 4.271 ( 0.790 0.340 -3.152) 3.268 4.325 ( 3.867 -1.455 -7.284) 8.374 4.597 ( 2.836 5.214 4.339) 7.352 4.632 ( 3.395 1.280 1.559) 3.949 4.882 ( -2.454 5.104 -2.897) 6.361 4.912 ( -1.867 2.488 -2.804) 4.188 5.007 ( -3.116 1.921 0.340) 3.676 5.026 ( 1.113 0.959 -1.558) 2.141 5.224 ( -1.260 2.409 2.327) 3.579 5.287 ( 2.445 0.334 -3.206) 4.046 5.386 ( 1.258 3.892 3.816) 5.594 5.487 ( -0.357 1.861 -5.013) 5.359 5.528 ( 0.662 -6.127 2.736) 6.743 5.566 ( 0.115 -0.454 1.191) 1.280 5.783 ( -6.076 5.041 5.054) 9.373 5.883 ( 4.990 3.796 -1.143) 6.373 5.903 ( -5.872 -3.181 0.155) 6.680 5.963 ( -0.656 -0.636 -2.555) 2.713 6.081 ( 4.488 -8.861 1.902) 10.113 6.180 ( 0.453 -11.536 -6.761) 13.379 6.537 ( 1.857 2.450 10.722) 11.154 6.661 ( 0.801 -7.171 6.067) 9.427 6.753 ( -1.054 -1.292 -5.093) 5.360 6.809 ( -0.116 -5.953 -2.938) 6.640 7.290 ( -0.288 2.155 -1.031) 2.406 7.304 ( 1.110 0.883 -2.374) 2.765 8.649 ( -1.360 7.450 3.288) 8.256 8.686 ( 0.661 6.531 -0.187) 6.567 8.868 ( -0.724 -7.029 0.719) 7.103 8.878 ( -0.939 -5.463 -0.681) 5.585 9.561 ( 3.081 4.387 6.239) 8.225 9.668 ( -0.846 -3.858 -1.383) 4.185 9.788 ( 1.573 -0.472 3.861) 4.195 9.935 ( -3.403 -11.542 -7.886) 14.387 10.127 ( -0.201 6.681 1.208) 6.793 10.174 ( 3.140 4.153 -3.225) 6.124 10.456 ( -4.003 -1.603 0.653) 4.361 10.494 ( 0.742 -3.898 -3.358) 5.199 10.905 ( 6.260 3.002 3.059) 7.587 10.944 ( -3.246 -0.526 -0.023) 3.288 11.161 ( 1.366 -3.818 -0.931) 4.161 11.187 ( -3.043 -5.623 -2.840) 6.996 12.048 ( -0.956 2.249 4.241) 4.895 12.092 ( -0.996 -1.855 3.842) 4.381 12.156 ( 0.200 5.205 -0.700) 5.256 12.245 ( 1.516 -3.362 -5.548) 6.662 19.351 ( -1.438 1.485 2.885) 3.549 19.380 ( -0.482 -1.345 0.339) 1.469 20.032 ( -1.664 0.295 1.515) 2.270 20.053 ( 2.748 -1.632 -0.560) 3.245 20.474 ( 4.120 1.181 3.249) 5.378 20.506 ( 3.479 -1.961 3.751) 5.479 20.562 ( -3.753 2.271 -2.242) 4.926 20.635 ( -3.231 -4.971 -5.581) 8.143 21.565 ( -0.856 1.983 3.644) 4.236 21.598 ( 0.746 -0.934 1.307) 1.771 21.766 ( 0.121 -0.506 -1.085) 1.203 21.793 ( 0.055 -2.893 -2.815) 4.037 22.774 ( 0.140 1.680 0.241) 1.703 22.778 ( -0.192 1.225 -0.174) 1.252 23.801 ( -0.118 7.340 1.045) 7.415 23.868 ( 0.634 0.896 -5.464) 5.573 ======================= Grid point 178 (96/104) ======================= q-point: ( 0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 4.158 15.784 3.725) 16.742 2.053 ( 10.993 12.276 -1.513) 16.548 2.103 ( 4.115 1.927 -0.062) 4.545 2.166 ( 6.947 5.237 -4.535) 9.811 2.388 ( -0.776 -2.085 7.283) 7.615 2.442 ( 1.239 -5.910 -5.443) 8.130 2.531 ( -1.542 -9.220 -1.704) 9.502 2.590 ( 0.316 -11.980 -1.757) 12.112 3.055 ( -1.785 2.556 2.166) 3.796 3.078 ( -1.654 1.331 -0.112) 2.126 3.179 ( -6.462 2.046 0.966) 6.847 3.255 ( -2.170 -4.047 -6.063) 7.606 3.470 ( -5.709 4.490 6.097) 9.483 3.529 ( -4.511 -1.481 6.366) 7.941 3.692 ( 1.018 7.408 -4.044) 8.501 3.741 ( 3.541 2.909 -5.483) 7.146 3.792 ( -3.306 7.917 8.542) 12.107 3.900 ( -2.007 -1.034 7.590) 7.919 3.919 ( 2.541 12.831 1.769) 13.200 4.031 ( 5.662 0.934 -1.263) 5.876 4.090 ( 5.044 1.942 1.229) 5.543 4.207 ( 6.167 -0.281 1.019) 6.257 4.270 ( 3.268 1.402 -2.166) 4.163 4.347 ( 5.407 0.611 -7.659) 9.395 4.574 ( -5.607 5.260 -5.383) 9.385 4.626 ( -1.862 3.350 -4.394) 5.830 4.809 ( -6.598 7.947 4.476) 11.258 4.873 ( -0.625 3.415 1.226) 3.681 4.998 ( -0.192 -3.097 2.922) 4.262 5.029 ( -0.735 2.248 1.196) 2.651 5.223 ( 0.334 4.731 -0.053) 4.743 5.305 ( -1.445 3.434 -1.487) 4.012 5.372 ( -2.301 0.755 -2.400) 3.410 5.437 ( -1.388 0.919 -0.091) 1.668 5.531 ( -1.281 -8.419 -1.375) 8.627 5.561 ( 0.446 -2.493 0.966) 2.711 5.715 ( -5.053 1.781 3.864) 6.606 5.770 ( -5.392 -0.382 4.662) 7.138 5.881 ( -2.908 3.098 -2.792) 5.084 6.082 ( 1.604 -4.110 2.691) 5.167 6.114 ( 3.603 -9.007 -3.598) 10.347 6.194 ( 6.704 -7.918 -1.708) 10.515 6.656 ( 2.543 3.980 -1.815) 5.060 6.685 ( 3.490 1.691 -0.404) 3.899 6.766 ( 1.372 -6.826 5.191) 8.684 6.794 ( 2.155 -7.721 -4.372) 9.131 7.275 ( -0.507 2.620 -0.237) 2.679 7.299 ( 0.630 0.282 -1.410) 1.570 8.625 ( -2.620 9.263 1.230) 9.705 8.734 ( 3.126 3.855 0.593) 4.999 8.876 ( 1.825 -4.701 1.064) 5.154 8.923 ( 4.106 -4.915 1.663) 6.617 9.510 ( -9.117 3.147 -3.120) 10.137 9.602 ( -7.001 -1.774 0.737) 7.260 9.822 ( 0.256 -3.356 -4.029) 5.250 9.911 ( 3.646 -7.975 5.736) 10.478 10.100 ( -1.343 6.225 -1.419) 6.524 10.211 ( 3.474 1.501 -4.080) 5.564 10.399 ( -3.550 1.284 3.355) 5.051 10.522 ( 2.045 -7.556 0.938) 7.884 10.772 ( -7.424 6.991 -1.196) 10.268 10.968 ( -2.439 -10.822 -1.929) 11.260 11.247 ( 11.371 1.863 0.928) 11.560 11.313 ( 10.346 -4.157 0.715) 11.173 12.041 ( -3.560 2.205 2.769) 5.020 12.074 ( -3.687 -1.083 1.684) 4.196 12.160 ( 0.725 4.457 -0.060) 4.516 12.240 ( 2.789 -3.517 -3.623) 5.769 19.355 ( -1.022 1.244 2.892) 3.310 19.379 ( -0.068 -1.152 0.591) 1.297 19.992 ( -3.675 3.033 -0.196) 4.768 20.066 ( -1.159 -4.393 -1.629) 4.827 20.428 ( -0.990 1.642 -1.746) 2.593 20.469 ( -1.522 -2.340 -2.212) 3.561 20.715 ( 12.318 -0.532 0.861) 12.359 20.731 ( 10.193 -1.907 2.198) 10.601 21.562 ( -2.538 2.356 1.741) 3.877 21.604 ( -0.698 -1.557 -0.335) 1.739 21.729 ( -2.214 1.863 -0.799) 3.002 21.805 ( 2.341 -5.518 -0.489) 6.014 22.788 ( 1.553 1.754 -0.179) 2.349 22.793 ( 1.906 1.206 0.280) 2.273 23.761 ( -5.804 5.977 1.073) 8.400 23.795 ( -4.433 2.586 -2.520) 5.718 ======================= Grid point 179 (97/104) ======================= q-point: ( 0.20 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.546 12.288 -2.940) 13.428 2.096 ( 3.465 8.354 -7.107) 11.503 2.205 ( 5.799 11.890 -8.649) 15.805 2.340 ( 10.697 5.299 0.645) 11.955 2.377 ( -0.938 -4.204 -0.347) 4.321 2.424 ( 2.122 -10.499 -7.275) 12.948 2.527 ( 1.418 -4.433 7.071) 8.466 2.619 ( 1.720 -9.412 6.805) 11.741 3.001 ( -4.535 4.613 -5.664) 8.598 3.034 ( -7.270 -1.237 0.207) 7.378 3.069 ( -2.554 1.744 5.208) 6.057 3.183 ( -2.575 -7.803 2.062) 8.472 3.429 ( -5.158 3.707 3.891) 7.448 3.491 ( -6.218 -1.820 2.741) 7.035 3.600 ( -3.149 10.535 -3.509) 11.541 3.731 ( -1.564 0.099 -4.684) 4.939 3.847 ( 0.494 6.783 5.846) 8.968 3.916 ( -2.305 -0.110 2.935) 3.733 3.987 ( 0.038 13.575 7.493) 15.506 4.124 ( 5.017 3.488 0.347) 6.120 4.236 ( 4.374 -2.083 -3.993) 6.278 4.287 ( 0.042 -1.328 1.065) 1.703 4.357 ( 5.153 -0.898 -1.030) 5.331 4.367 ( 6.077 0.923 -1.513) 6.330 4.488 ( 2.913 5.281 1.192) 6.147 4.539 ( 0.331 4.771 -5.855) 7.560 4.730 ( -4.956 12.294 2.838) 13.556 4.857 ( -5.546 1.548 2.401) 6.238 4.994 ( -0.350 4.657 2.289) 5.201 5.069 ( 1.736 -0.734 0.911) 2.094 5.185 ( -2.280 5.099 -0.410) 5.600 5.243 ( 0.348 1.770 -0.369) 1.841 5.394 ( 0.676 -10.050 -1.452) 10.177 5.414 ( 2.629 7.226 -0.672) 7.719 5.500 ( -1.586 -5.594 2.467) 6.317 5.578 ( -1.288 -2.278 -0.556) 2.675 5.666 ( -1.830 3.937 -4.482) 6.240 5.799 ( 1.215 -3.270 5.463) 6.482 5.852 ( 3.558 -3.349 3.898) 6.250 5.980 ( -5.983 -12.913 -3.834) 14.739 6.189 ( 1.169 1.472 1.710) 2.542 6.304 ( 4.433 -7.785 0.732) 8.989 6.632 ( 2.371 6.067 -8.832) 10.974 6.754 ( 2.378 -1.785 -1.985) 3.575 6.806 ( 1.279 -4.252 1.024) 4.557 6.819 ( 2.003 -5.385 0.059) 5.746 7.281 ( 1.217 3.328 0.730) 3.618 7.316 ( 2.122 -0.097 0.299) 2.145 8.579 ( -3.317 11.224 -0.437) 11.712 8.772 ( 0.087 -3.621 0.194) 3.627 8.942 ( 3.705 1.639 2.080) 4.554 9.016 ( 3.281 -2.459 2.854) 4.996 9.305 ( -10.074 3.781 -3.605) 11.348 9.434 ( -11.174 -5.855 2.302) 12.823 9.834 ( 3.551 3.615 -3.802) 6.335 10.006 ( 2.717 -5.711 3.984) 7.475 10.070 ( -0.378 2.414 -3.429) 4.211 10.223 ( 3.299 -1.381 -5.087) 6.219 10.377 ( -2.031 0.600 2.346) 3.160 10.531 ( -1.098 -9.863 -0.046) 9.924 10.745 ( 1.794 6.869 4.767) 8.551 10.926 ( -0.246 -11.100 -0.436) 11.112 11.431 ( 7.832 2.198 -0.325) 8.141 11.481 ( 7.995 -2.734 0.030) 8.450 11.984 ( -4.950 1.299 1.887) 5.454 12.007 ( -5.052 -1.225 1.514) 5.414 12.191 ( 3.112 4.743 -0.424) 5.689 12.269 ( 3.442 -3.203 -2.582) 5.364 19.366 ( -0.614 0.999 2.713) 2.956 19.387 ( 0.270 -1.075 0.596) 1.258 19.907 ( -4.777 3.139 -1.536) 5.919 19.980 ( -5.130 -4.066 -3.379) 7.367 20.478 ( 6.380 0.171 -0.278) 6.388 20.494 ( 6.147 -1.526 -1.035) 6.418 20.899 ( 9.270 1.813 -0.550) 9.461 20.946 ( 10.662 -3.031 2.406) 11.343 21.512 ( -4.134 2.612 0.951) 4.982 21.570 ( -3.150 -3.094 1.176) 4.570 21.697 ( -0.674 5.969 -1.031) 6.095 21.846 ( 2.775 -8.807 -1.180) 9.308 22.829 ( 3.401 2.341 -0.140) 4.132 22.844 ( 3.742 0.818 0.195) 3.835 23.632 ( -9.025 6.397 -0.110) 11.063 23.678 ( -8.581 1.884 0.829) 8.824 ======================= Grid point 180 (98/104) ======================= q-point: ( 0.30 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 1.186 9.892 -6.320) 11.798 2.098 ( -1.145 2.934 0.978) 3.298 2.199 ( 3.262 9.068 -6.746) 11.764 2.334 ( -0.827 0.410 -3.553) 3.671 2.386 ( 2.451 -5.314 -5.791) 8.233 2.436 ( 2.905 -3.949 -5.242) 7.177 2.686 ( 1.239 3.976 3.618) 5.517 2.765 ( 5.665 -3.011 6.456) 9.101 2.880 ( -7.375 -0.217 0.358) 7.387 2.912 ( -0.188 -0.204 2.924) 2.937 3.106 ( 1.326 3.718 2.708) 4.787 3.200 ( -2.926 -1.328 6.441) 7.198 3.306 ( -6.199 2.137 -2.129) 6.894 3.392 ( -8.563 -3.650 2.187) 9.562 3.559 ( -1.463 4.480 0.129) 4.715 3.642 ( -2.174 -2.889 -3.671) 5.153 3.842 ( -6.045 4.764 2.340) 8.045 3.892 ( -0.822 2.318 2.161) 3.274 4.008 ( -3.797 9.952 4.019) 11.385 4.073 ( -5.877 2.056 -2.688) 6.781 4.259 ( 0.958 -1.099 2.357) 2.772 4.308 ( -3.003 -4.205 4.291) 6.717 4.407 ( 5.557 7.975 -3.390) 10.294 4.482 ( 4.573 6.861 -3.863) 9.105 4.510 ( 3.147 4.752 2.029) 6.050 4.669 ( 8.216 3.793 1.420) 9.160 4.694 ( -1.480 4.929 2.740) 5.830 4.806 ( 1.976 2.181 0.434) 2.975 5.033 ( 2.349 8.550 1.844) 9.057 5.152 ( 7.981 -3.247 0.666) 8.642 5.204 ( 1.758 1.985 2.717) 3.797 5.261 ( 1.651 -0.379 -2.767) 3.244 5.375 ( -1.401 10.127 -4.572) 11.199 5.431 ( 2.720 -2.179 1.013) 3.629 5.507 ( -5.046 -0.107 -3.302) 6.032 5.557 ( 1.808 -7.053 2.802) 7.801 5.609 ( 1.629 -3.605 -2.382) 4.618 5.753 ( -6.140 -13.185 -3.664) 14.999 5.941 ( 0.987 -1.231 2.669) 3.101 6.032 ( 7.896 -7.329 6.100) 12.380 6.222 ( 1.462 2.902 3.615) 4.861 6.340 ( 1.123 -7.525 0.576) 7.630 6.579 ( 0.125 7.198 -7.935) 10.714 6.736 ( -0.329 -4.914 -6.030) 7.786 6.819 ( 0.365 -1.380 -1.355) 1.968 6.858 ( 1.294 -3.997 1.528) 4.470 7.323 ( 2.138 3.946 1.501) 4.732 7.368 ( 2.637 -0.547 1.188) 2.943 8.504 ( -4.524 11.121 -0.684) 12.025 8.714 ( -6.804 -8.185 -1.183) 10.709 8.995 ( -1.413 8.685 0.525) 8.815 9.041 ( -1.822 3.124 4.382) 5.682 9.202 ( 0.466 -0.643 1.021) 1.293 9.287 ( -8.759 -5.897 3.456) 11.110 9.867 ( 5.268 4.133 -6.064) 9.034 10.015 ( -0.645 2.511 -6.391) 6.897 10.089 ( 3.483 -3.022 2.987) 5.494 10.246 ( 4.542 -1.869 -5.445) 7.333 10.389 ( 1.239 -7.247 1.675) 7.540 10.507 ( -0.963 -10.940 -1.501) 11.084 10.846 ( 2.414 5.140 7.704) 9.571 10.964 ( 3.152 -6.442 3.662) 8.053 11.478 ( -0.483 3.756 -3.547) 5.189 11.556 ( 1.452 -3.937 -2.422) 4.845 11.924 ( -4.094 1.377 3.054) 5.290 11.953 ( -2.737 -1.804 2.443) 4.089 12.255 ( 4.503 3.626 -0.399) 5.795 12.312 ( 4.383 -2.177 -2.960) 5.719 19.378 ( -0.602 0.819 2.513) 2.711 19.397 ( 0.442 -1.016 0.311) 1.150 19.820 ( -3.406 2.113 -1.684) 4.347 19.869 ( -3.874 -2.633 -3.310) 5.736 20.600 ( 7.922 1.032 0.071) 7.989 20.638 ( 8.945 -2.861 1.034) 9.449 21.020 ( 5.441 3.966 -1.061) 6.816 21.098 ( 4.970 -3.879 0.110) 6.305 21.452 ( -4.177 4.061 2.535) 6.354 21.548 ( -1.541 -5.404 4.670) 7.306 21.676 ( -0.070 8.418 -2.800) 8.872 21.871 ( 2.320 -10.854 -3.290) 11.577 22.902 ( 5.283 2.941 -0.093) 6.047 22.925 ( 5.622 0.641 -0.018) 5.659 23.466 ( -10.119 6.294 0.233) 11.919 23.519 ( -10.607 1.160 1.007) 10.718 ======================= Grid point 181 (99/104) ======================= q-point: ( 0.40 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.109 7.514 2.754) 8.079 2.101 ( -1.302 -1.570 6.358) 6.677 2.217 ( 4.221 8.433 -3.911) 10.209 2.322 ( 2.432 -1.123 -0.815) 2.800 2.361 ( 0.165 1.446 -4.670) 4.891 2.444 ( 4.962 -3.769 -9.901) 11.698 2.591 ( -7.788 5.863 -1.528) 9.867 2.701 ( -6.324 -4.190 -4.263) 8.701 2.873 ( -2.794 2.113 -1.483) 3.804 2.950 ( -3.425 -4.572 -0.593) 5.743 3.147 ( -2.733 7.987 -1.712) 8.613 3.169 ( -3.126 2.314 5.486) 6.725 3.212 ( 0.177 4.421 4.987) 6.667 3.363 ( 2.735 -3.929 1.895) 5.149 3.549 ( -0.652 0.359 3.107) 3.195 3.595 ( -2.150 -4.543 -0.725) 5.078 3.793 ( -1.609 6.241 4.018) 7.595 3.904 ( -0.556 -2.817 3.372) 4.429 3.956 ( -3.498 4.542 -1.635) 5.962 3.981 ( -3.696 0.709 1.950) 4.239 4.218 ( -3.897 4.423 3.853) 7.042 4.322 ( -0.593 -2.061 5.448) 5.855 4.445 ( 1.367 6.336 -2.532) 6.959 4.535 ( 1.989 5.677 -0.137) 6.017 4.596 ( 3.374 9.971 3.616) 11.130 4.717 ( 2.180 10.856 2.095) 11.269 4.798 ( 5.667 -0.974 -1.259) 5.886 4.898 ( 6.321 -1.497 1.185) 6.603 5.061 ( -0.659 7.081 -1.193) 7.211 5.163 ( -6.147 2.756 -2.140) 7.069 5.238 ( 1.038 5.387 -3.074) 6.288 5.308 ( -1.442 2.353 -7.210) 7.720 5.371 ( 7.071 -1.191 0.251) 7.175 5.420 ( 3.771 -3.368 -0.185) 5.060 5.483 ( 3.616 -1.175 -1.871) 4.237 5.566 ( 0.104 -5.070 -1.879) 5.407 5.662 ( 1.921 -7.494 2.178) 8.037 5.691 ( 0.938 -11.124 0.943) 11.204 5.955 ( -1.030 1.039 2.712) 3.081 6.092 ( -4.970 -11.501 2.289) 12.736 6.331 ( 6.820 5.788 2.457) 9.276 6.417 ( 2.302 -2.533 3.006) 4.555 6.539 ( 4.285 3.968 -4.704) 7.499 6.652 ( -2.154 -5.328 -4.742) 7.451 6.792 ( -1.986 2.493 -2.146) 3.843 6.868 ( -1.192 -5.165 -0.505) 5.325 7.370 ( 1.664 3.538 1.586) 4.219 7.412 ( 1.340 -0.665 0.650) 1.631 8.432 ( -3.253 8.336 0.692) 8.975 8.558 ( -8.114 -2.777 -1.330) 8.678 8.967 ( -0.742 4.996 0.730) 5.104 9.035 ( -4.980 -0.278 4.618) 6.797 9.214 ( -1.592 1.528 1.782) 2.836 9.245 ( 0.854 -1.856 2.684) 3.373 9.903 ( 4.443 3.143 -5.826) 7.973 9.951 ( 0.066 5.663 -6.769) 8.826 10.170 ( 2.640 -3.749 2.906) 5.429 10.277 ( 4.269 -3.221 -5.194) 7.455 10.423 ( 1.361 -12.628 -0.176) 12.703 10.474 ( -1.046 -10.982 -1.922) 11.198 10.955 ( 2.357 7.253 8.724) 11.587 11.086 ( 5.343 -5.154 6.309) 9.742 11.382 ( -4.933 5.344 -5.188) 8.933 11.500 ( -3.616 -5.748 -4.435) 8.111 11.904 ( -1.197 1.580 2.698) 3.348 11.941 ( -1.795 -2.205 2.432) 3.741 12.324 ( 3.361 2.533 -0.303) 4.219 12.359 ( 3.523 -1.065 -2.615) 4.515 19.386 ( -0.994 0.860 2.408) 2.743 19.406 ( 0.397 -1.098 0.099) 1.172 19.767 ( -1.359 1.189 -1.239) 2.190 19.796 ( -1.587 -1.671 -2.624) 3.492 20.736 ( 6.970 1.628 0.842) 7.207 20.787 ( 6.666 -3.471 0.887) 7.568 21.063 ( 1.043 3.187 -1.265) 3.584 21.118 ( -1.316 -2.532 -0.822) 2.970 21.428 ( -2.118 7.218 4.860) 8.956 21.591 ( 0.017 -7.640 4.376) 8.804 21.650 ( 0.707 8.459 -2.335) 8.804 21.866 ( 1.295 -11.746 -5.217) 12.918 23.008 ( 7.075 3.602 -0.069) 7.940 23.037 ( 7.497 0.709 -0.215) 7.534 23.297 ( -9.709 5.333 0.332) 11.082 23.342 ( -10.519 0.965 0.532) 10.577 ======================= Grid point 182 (100/104) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -1.464 6.454 8.369) 10.669 2.157 ( -0.803 -2.696 7.987) 8.468 2.238 ( -0.509 7.438 -4.814) 8.874 2.323 ( -0.448 0.571 -0.887) 1.146 2.399 ( 3.963 2.062 -5.176) 6.837 2.439 ( 6.217 -1.729 -5.687) 8.601 2.469 ( -1.226 3.805 -1.411) 4.239 2.555 ( -4.517 -3.629 -6.968) 9.062 2.809 ( -0.119 -0.562 0.805) 0.989 2.829 ( -6.926 -2.285 -1.385) 7.423 3.107 ( 0.659 5.736 2.840) 6.434 3.155 ( 0.656 3.688 -0.785) 3.828 3.323 ( 2.591 3.490 2.485) 5.007 3.392 ( 0.998 -0.104 -2.752) 2.929 3.564 ( -1.217 0.166 4.066) 4.248 3.600 ( 1.577 -3.430 1.621) 4.109 3.822 ( -0.508 4.360 3.613) 5.686 3.884 ( -0.967 0.238 -1.988) 2.223 3.928 ( -2.064 -1.101 3.513) 4.220 3.961 ( 1.517 -1.938 -0.119) 2.464 4.277 ( 2.691 8.101 8.148) 11.801 4.377 ( 1.057 -2.581 4.071) 4.935 4.418 ( -1.396 10.371 -1.514) 10.573 4.505 ( -3.084 6.145 -2.926) 7.472 4.644 ( -3.007 6.261 6.596) 9.579 4.775 ( 2.363 4.156 -2.338) 5.322 4.872 ( 4.082 9.405 1.342) 10.340 4.959 ( -4.386 4.781 -8.065) 10.351 4.995 ( -1.600 3.032 6.480) 7.331 5.094 ( -2.013 -1.149 4.215) 4.810 5.170 ( -0.922 2.154 -8.384) 8.706 5.219 ( 3.428 -2.802 -6.986) 8.271 5.460 ( -1.162 0.518 1.142) 1.710 5.499 ( 0.949 -2.659 -2.630) 3.858 5.536 ( 5.181 -2.468 -0.620) 5.773 5.549 ( -0.266 -4.398 -1.522) 4.661 5.702 ( 1.096 -7.965 0.988) 8.100 5.723 ( 1.522 -8.668 -0.811) 8.838 5.988 ( 1.963 -1.729 2.871) 3.884 6.015 ( -3.440 -4.143 0.545) 5.412 6.384 ( -0.648 0.837 2.287) 2.520 6.407 ( -4.935 -1.117 0.728) 5.112 6.609 ( 5.212 4.342 0.033) 6.783 6.648 ( -1.264 2.503 -2.494) 3.753 6.760 ( 2.147 -2.555 0.312) 3.351 6.802 ( -3.293 -5.306 -2.883) 6.878 7.406 ( 0.748 2.130 1.123) 2.521 7.426 ( 0.734 0.138 -0.825) 1.113 8.422 ( 0.459 4.986 2.021) 5.400 8.460 ( -0.713 1.882 -1.669) 2.615 8.972 ( -3.755 0.505 3.058) 4.868 8.992 ( 1.290 -0.659 1.302) 1.948 9.237 ( 0.983 3.480 2.777) 4.559 9.266 ( 0.038 0.319 0.425) 0.532 9.878 ( -2.607 5.172 -2.187) 6.191 9.926 ( 2.778 2.382 -6.373) 7.349 10.217 ( 0.020 -3.456 2.010) 3.998 10.293 ( 2.229 -5.942 -4.969) 8.060 10.420 ( -2.236 -9.744 1.181) 10.067 10.454 ( 1.556 -11.672 -2.475) 12.033 11.071 ( 0.649 8.250 9.579) 12.659 11.218 ( 2.161 -1.362 2.046) 3.273 11.269 ( -1.087 1.157 -1.239) 2.014 11.389 ( -2.678 -5.946 -6.091) 8.923 11.922 ( 0.571 -0.043 1.892) 1.977 11.929 ( -1.144 -0.737 1.373) 1.933 12.352 ( -0.062 1.936 0.005) 1.937 12.377 ( 0.726 -0.434 -2.207) 2.364 19.386 ( -1.508 1.140 2.423) 3.073 19.411 ( 0.041 -1.395 0.161) 1.405 19.751 ( 0.456 0.520 -0.819) 1.072 19.767 ( 0.573 -1.086 -2.174) 2.497 20.826 ( 1.428 0.442 1.291) 1.975 20.843 ( -1.390 -1.139 -0.198) 1.808 21.071 ( 1.082 0.117 -0.636) 1.260 21.080 ( 0.034 -0.788 -1.395) 1.603 21.453 ( -1.530 8.928 6.743) 11.292 21.571 ( -0.771 5.509 -3.271) 6.453 21.693 ( 0.933 -6.298 4.867) 8.014 21.827 ( 0.275 -11.328 -6.575) 13.101 23.134 ( -5.779 3.722 0.276) 6.879 23.137 ( 4.512 4.024 0.048) 6.046 23.172 ( -2.209 2.224 0.906) 3.263 23.196 ( 3.982 0.457 -1.315) 4.218 ======================= Grid point 183 (101/104) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -9.049 10.829 1.676) 14.211 2.119 ( -3.289 6.078 1.237) 7.021 2.227 ( -3.696 -3.538 7.512) 9.089 2.254 ( -2.631 -4.585 -3.508) 6.345 2.332 ( -3.081 5.026 -6.354) 8.667 2.432 ( 1.154 -4.334 -7.286) 8.556 2.571 ( 8.616 3.213 1.714) 9.354 2.622 ( 9.301 -1.609 3.111) 9.939 2.796 ( 3.047 3.641 4.153) 6.308 2.882 ( 4.259 -4.401 4.688) 7.712 3.171 ( 3.462 7.570 -1.551) 8.467 3.217 ( 8.254 3.508 0.496) 8.982 3.326 ( -2.484 1.879 -5.003) 5.893 3.367 ( -0.097 -2.448 -0.765) 2.566 3.568 ( -1.691 2.623 2.437) 3.960 3.631 ( 1.223 -4.033 -1.351) 4.426 3.818 ( -0.497 6.062 0.588) 6.110 3.904 ( 2.692 3.045 0.148) 4.067 3.924 ( -0.900 -0.185 2.566) 2.726 4.004 ( 2.417 -5.102 -0.726) 5.692 4.324 ( -1.658 2.082 -2.840) 3.892 4.345 ( -1.944 2.701 3.575) 4.884 4.448 ( -0.000 10.481 -2.118) 10.693 4.477 ( 1.501 6.783 4.396) 8.221 4.617 ( -7.406 10.315 6.353) 14.199 4.719 ( -5.792 1.711 0.675) 6.077 4.796 ( -3.160 -1.381 -6.835) 7.655 4.917 ( -7.907 -1.208 0.024) 7.998 5.026 ( 8.424 13.040 1.733) 15.621 5.137 ( 1.814 3.024 4.172) 5.463 5.174 ( 2.831 3.219 -0.469) 4.312 5.256 ( 4.777 -3.919 -3.216) 6.966 5.402 ( -5.685 -2.852 -0.590) 6.387 5.404 ( -6.251 -4.215 -0.170) 7.541 5.530 ( 1.126 0.491 -5.986) 6.111 5.569 ( -0.111 -2.811 -1.397) 3.141 5.710 ( -1.197 -6.560 -2.093) 6.990 5.711 ( -0.519 -8.850 -1.197) 8.946 5.983 ( -0.190 1.081 0.403) 1.169 6.087 ( 5.672 -7.868 2.414) 9.996 6.317 ( -7.069 3.248 2.671) 8.226 6.404 ( -3.160 -3.723 5.870) 7.635 6.535 ( -3.553 4.169 -4.612) 7.161 6.635 ( -3.434 -5.561 -3.013) 7.197 6.743 ( 2.310 4.874 1.815) 5.691 6.856 ( 3.505 -5.872 0.286) 6.845 7.401 ( -0.939 2.922 -1.025) 3.236 7.431 ( 0.100 -0.079 -0.977) 0.986 8.443 ( 2.107 6.813 -0.181) 7.134 8.533 ( 7.574 -0.927 0.727) 7.665 8.943 ( -1.882 5.348 2.808) 6.327 9.058 ( 3.129 -4.450 2.208) 5.871 9.258 ( 0.340 2.827 -1.616) 3.274 9.284 ( 2.883 0.388 0.244) 2.919 9.810 ( -3.870 6.399 0.153) 7.479 9.912 ( 0.137 -0.098 -1.925) 1.932 10.200 ( -3.233 -3.127 0.415) 4.517 10.258 ( -1.244 -8.145 -3.924) 9.127 10.405 ( -0.386 -6.784 1.224) 6.905 10.465 ( 1.007 -11.297 -0.795) 11.370 11.070 ( -4.969 8.314 1.429) 9.791 11.173 ( -4.436 1.325 -3.256) 5.660 11.317 ( 4.468 -1.211 0.407) 4.647 11.400 ( 3.843 -6.365 3.345) 8.153 11.928 ( 0.467 1.172 0.705) 1.445 11.955 ( 1.107 -1.559 1.133) 2.222 12.323 ( -3.281 1.782 0.536) 3.772 12.344 ( -2.168 -0.248 -2.211) 3.106 19.378 ( -1.857 1.456 2.565) 3.485 19.410 ( -0.430 -1.733 0.368) 1.823 19.765 ( 1.837 0.324 -0.524) 1.937 19.778 ( 2.688 -1.005 -1.694) 3.332 20.754 ( -7.154 1.377 -0.751) 7.324 20.793 ( -5.746 -2.507 0.425) 6.283 21.057 ( -0.944 3.034 -0.781) 3.272 21.116 ( 2.036 -2.984 -0.710) 3.682 21.470 ( -1.617 8.483 3.510) 9.322 21.558 ( 1.043 5.261 0.351) 5.375 21.719 ( -1.700 -8.000 0.272) 8.183 21.786 ( 0.934 -9.387 -2.319) 9.714 23.007 ( -6.984 3.268 0.053) 7.711 23.028 ( -7.477 1.078 0.474) 7.569 23.305 ( 9.963 5.777 -0.386) 11.523 23.361 ( 11.509 0.427 -1.049) 11.565 ======================= Grid point 184 (102/104) ======================= q-point: (-0.30 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -9.095 14.768 3.914) 17.780 2.085 ( -4.122 7.310 4.131) 9.354 2.146 ( -4.339 -7.209 -1.678) 8.580 2.240 ( -2.943 9.843 2.213) 10.509 2.265 ( -1.334 -6.586 3.359) 7.513 2.427 ( 2.003 -7.570 -2.265) 8.151 2.692 ( 3.028 3.385 1.672) 4.840 2.771 ( 3.518 -4.064 2.025) 5.744 2.926 ( 5.732 4.686 -0.381) 7.413 3.006 ( 5.101 -3.063 1.000) 6.033 3.152 ( -1.466 10.411 -6.199) 12.205 3.252 ( 2.855 7.481 -0.500) 8.023 3.339 ( -1.365 -6.991 -3.600) 7.981 3.407 ( 10.136 -6.077 -0.065) 11.819 3.567 ( 0.902 3.957 0.854) 4.148 3.626 ( -0.059 -0.191 -0.362) 0.413 3.834 ( 1.297 6.242 1.844) 6.637 3.931 ( 0.120 9.306 -0.136) 9.308 3.962 ( 2.317 -1.648 2.460) 3.760 4.019 ( 0.563 -1.748 1.961) 2.687 4.308 ( -4.770 2.302 3.855) 6.550 4.331 ( -3.382 1.732 2.605) 4.607 4.413 ( -1.279 9.119 -6.157) 11.077 4.459 ( -0.439 11.400 -0.806) 11.437 4.558 ( -2.067 1.704 -0.370) 2.704 4.675 ( -0.378 4.260 0.857) 4.362 4.726 ( -1.538 -4.889 -2.379) 5.651 4.795 ( -4.215 -6.103 1.650) 7.599 5.109 ( 1.195 6.190 -5.345) 8.266 5.166 ( -4.867 -0.820 -0.047) 4.936 5.201 ( 0.194 7.001 2.137) 7.323 5.250 ( -1.213 3.027 -1.131) 3.451 5.313 ( 1.002 6.904 1.024) 7.052 5.414 ( 1.040 -1.171 3.188) 3.552 5.516 ( 3.433 -0.274 -3.877) 5.186 5.550 ( 0.183 -1.749 -0.710) 1.897 5.655 ( -1.904 -6.285 -3.592) 7.485 5.705 ( 2.107 -13.523 0.834) 13.711 5.984 ( -0.408 2.274 -0.880) 2.472 6.138 ( -6.028 -7.625 -3.915) 10.479 6.239 ( 0.501 2.002 4.919) 5.334 6.326 ( -6.814 -2.827 0.105) 7.378 6.494 ( 0.378 0.981 -0.322) 1.099 6.606 ( -1.253 -8.594 4.209) 9.651 6.786 ( 0.370 4.072 1.702) 4.429 6.884 ( 0.297 -5.093 -0.737) 5.155 7.364 ( -1.676 3.776 -2.065) 4.619 7.403 ( -1.879 -0.136 -1.768) 2.584 8.492 ( 3.169 9.647 0.358) 10.161 8.675 ( 5.912 -7.765 2.180) 10.000 8.961 ( 0.824 10.028 3.163) 10.547 9.085 ( -2.109 -2.116 1.228) 3.230 9.249 ( 1.185 3.565 -3.610) 5.210 9.367 ( 7.849 -7.345 -2.556) 11.050 9.766 ( -1.860 8.075 2.001) 8.525 9.919 ( 1.111 -0.875 2.685) 3.035 10.129 ( -3.720 -1.208 -1.343) 4.135 10.206 ( -1.951 -6.301 -1.290) 6.721 10.409 ( -0.109 -6.433 -0.462) 6.450 10.477 ( 0.846 -11.453 0.990) 11.527 10.991 ( -2.692 4.570 -4.375) 6.876 11.041 ( -6.058 0.512 -3.943) 7.246 11.403 ( 2.509 1.632 2.518) 3.911 11.480 ( 0.360 -5.345 4.783) 7.182 11.956 ( 1.769 0.787 0.855) 2.116 11.970 ( -0.053 -0.897 0.427) 0.995 12.259 ( -4.668 1.837 0.540) 5.046 12.285 ( -1.536 -0.243 -2.013) 2.544 19.368 ( -1.927 1.650 2.731) 3.728 19.404 ( -0.674 -1.916 0.519) 2.096 19.807 ( 3.445 0.614 0.061) 3.500 19.829 ( 4.329 -1.488 -0.661) 4.625 20.611 ( -8.142 1.693 -0.919) 8.366 20.662 ( -8.631 -3.488 -1.074) 9.371 21.002 ( -5.563 5.598 0.596) 7.915 21.105 ( -3.227 -4.867 -0.532) 5.864 21.480 ( 0.850 5.668 0.539) 5.756 21.580 ( -0.963 -0.785 2.165) 2.496 21.684 ( 1.555 -0.091 -3.744) 4.055 21.804 ( 0.345 -8.784 2.116) 9.042 22.901 ( -5.283 2.807 0.014) 5.983 22.921 ( -5.511 0.822 0.349) 5.583 23.476 ( 10.253 7.338 -0.660) 12.625 23.556 ( 12.468 -0.235 -2.080) 12.642 ======================= Grid point 185 (103/104) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -6.241 17.238 10.194) 20.976 2.038 ( -6.619 14.301 6.408) 17.012 2.080 ( -3.936 -4.482 1.449) 6.138 2.215 ( -3.963 5.373 4.802) 8.224 2.289 ( -0.421 -8.995 4.588) 10.106 2.414 ( -4.039 -10.243 0.177) 11.012 2.691 ( -0.429 0.324 -4.492) 4.524 2.742 ( -3.204 -4.325 -5.071) 7.395 2.951 ( 0.344 5.034 -2.577) 5.666 3.028 ( 3.477 -2.123 -1.484) 4.336 3.142 ( 0.348 6.684 -1.813) 6.934 3.289 ( 1.827 -6.351 -4.415) 7.948 3.403 ( 8.137 6.948 4.980) 11.802 3.494 ( 2.088 -2.510 0.698) 3.338 3.613 ( 2.431 4.980 -1.058) 5.642 3.655 ( 1.561 4.367 2.190) 5.129 3.894 ( 0.869 5.507 0.738) 5.624 3.913 ( -0.434 8.841 0.023) 8.852 4.028 ( 0.867 -4.130 8.326) 9.335 4.073 ( 1.118 1.387 3.254) 3.710 4.171 ( -8.591 7.405 -1.306) 11.417 4.289 ( -2.040 8.241 1.943) 8.709 4.378 ( 0.389 1.306 -4.911) 5.096 4.449 ( -2.968 -3.416 -6.446) 7.876 4.480 ( -1.365 4.830 -0.387) 5.034 4.584 ( -4.825 -4.363 -6.430) 9.147 4.758 ( 4.450 6.871 0.565) 8.206 4.881 ( 8.086 -6.818 2.692) 10.914 5.061 ( 0.338 3.016 -4.645) 5.549 5.081 ( -1.558 -0.854 -1.352) 2.233 5.206 ( 0.004 7.150 1.814) 7.376 5.222 ( -0.041 4.182 -2.455) 4.850 5.364 ( -0.224 9.098 -0.665) 9.125 5.442 ( 1.756 3.746 -0.377) 4.154 5.539 ( 0.516 0.305 2.819) 2.882 5.558 ( -1.044 1.409 2.486) 3.042 5.609 ( 2.451 -8.304 -5.221) 10.111 5.831 ( 7.103 -15.631 4.163) 17.667 5.935 ( -3.313 0.255 -3.564) 4.873 5.977 ( -3.565 -2.294 -4.190) 5.960 6.223 ( -4.054 0.747 -1.657) 4.443 6.296 ( -0.641 -4.035 2.294) 4.685 6.487 ( -3.703 -0.994 3.420) 5.137 6.614 ( -3.860 -9.580 7.445) 12.732 6.800 ( 0.315 1.745 1.066) 2.069 6.870 ( -0.501 -3.977 -1.514) 4.285 7.319 ( -0.767 3.410 -2.630) 4.374 7.348 ( -1.937 0.401 -2.365) 3.083 8.551 ( 2.559 10.491 1.749) 10.939 8.741 ( -0.660 -5.463 2.893) 6.217 8.967 ( -3.721 1.466 0.433) 4.023 9.043 ( -3.498 -2.803 0.520) 4.512 9.276 ( 6.304 7.278 -1.551) 9.753 9.469 ( 5.254 -11.261 -0.310) 12.430 9.783 ( 1.888 9.810 0.785) 10.021 10.008 ( 5.608 -3.799 2.387) 7.182 10.068 ( -1.435 2.654 -2.117) 3.686 10.172 ( -1.288 -3.249 -0.136) 3.498 10.405 ( 1.239 -3.453 -0.508) 3.704 10.517 ( 2.369 -11.257 0.959) 11.544 10.872 ( -4.698 4.081 -7.079) 9.426 10.945 ( -2.542 -3.521 -1.414) 4.567 11.410 ( -4.385 1.626 1.495) 4.910 11.466 ( -5.718 -3.701 1.719) 7.025 11.974 ( -0.004 0.799 2.641) 2.759 12.002 ( 1.807 -1.653 1.844) 3.065 12.193 ( -2.443 4.696 -0.509) 5.318 12.265 ( 1.063 -1.997 -2.344) 3.258 19.360 ( -1.828 1.725 2.779) 3.747 19.397 ( -0.682 -1.909 0.434) 2.073 19.886 ( 5.186 0.654 0.958) 5.315 19.914 ( 5.173 -1.992 1.233) 5.679 20.478 ( -6.059 0.446 -0.417) 6.090 20.500 ( -8.122 -1.935 -1.334) 8.456 20.883 ( -8.795 5.232 0.941) 10.277 20.992 ( -8.430 -5.760 -1.795) 10.366 21.505 ( 0.946 3.370 1.559) 3.832 21.568 ( -1.186 -2.354 1.270) 2.926 21.714 ( 3.856 3.271 -2.283) 5.548 21.823 ( 0.206 -7.170 0.754) 7.213 22.827 ( -3.435 2.493 0.069) 4.245 22.844 ( -3.652 0.696 0.134) 3.720 23.636 ( 8.758 8.599 -0.733) 12.295 23.737 ( 11.189 -1.089 -3.931) 11.909 ======================= Grid point 186 (104/104) ======================= q-point: (-0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -4.327 17.729 11.273) 21.451 1.970 ( -8.579 17.273 7.405) 20.659 2.024 ( -2.125 3.547 0.821) 4.216 2.181 ( -4.852 -2.038 3.412) 6.272 2.290 ( -3.959 -9.211 3.958) 10.779 2.358 ( -0.677 -12.173 5.065) 13.202 2.642 ( -0.090 -2.857 -9.290) 9.720 2.672 ( 1.964 -4.837 -5.391) 7.504 2.984 ( 2.682 3.732 2.640) 5.300 3.054 ( 0.014 -2.928 1.893) 3.487 3.155 ( 0.846 10.078 3.156) 10.594 3.310 ( 4.714 -5.747 -4.972) 8.942 3.526 ( 1.535 3.333 3.569) 5.118 3.552 ( 1.548 0.802 3.238) 3.677 3.641 ( -0.942 7.760 1.897) 8.043 3.663 ( 0.949 3.246 -1.248) 3.605 3.843 ( -3.264 11.200 -1.269) 11.735 3.903 ( -3.780 5.861 3.324) 7.726 4.041 ( -5.227 1.572 2.375) 5.953 4.045 ( -3.402 -0.854 -4.450) 5.666 4.113 ( 0.474 2.155 -1.101) 2.466 4.285 ( 1.234 2.447 -4.420) 5.201 4.287 ( -5.358 -3.932 -6.973) 9.633 4.347 ( 0.535 0.561 -5.024) 5.084 4.495 ( 2.305 5.090 1.181) 5.711 4.536 ( 3.656 -0.334 2.250) 4.306 4.854 ( 5.680 9.409 -0.051) 10.991 4.961 ( -0.442 -0.481 -1.203) 1.369 5.039 ( 0.013 1.972 -3.047) 3.629 5.070 ( 0.844 -0.710 -4.226) 4.368 5.213 ( 0.203 6.204 0.388) 6.219 5.291 ( 6.891 3.113 1.904) 7.798 5.315 ( -3.236 2.246 -0.741) 4.008 5.443 ( 2.157 -1.613 -0.630) 2.766 5.535 ( 0.524 -0.262 0.077) 0.591 5.578 ( -2.441 -6.040 -2.330) 6.919 5.696 ( 7.650 8.684 5.447) 12.791 5.870 ( -0.456 1.492 -1.417) 2.108 5.913 ( 3.476 -4.362 -4.663) 7.270 5.985 ( 0.651 -8.238 3.539) 8.990 6.131 ( -5.960 -2.521 -0.398) 6.484 6.241 ( -2.989 -10.153 -5.057) 11.729 6.461 ( -3.949 2.923 9.586) 10.772 6.616 ( -3.178 -9.846 8.223) 13.216 6.806 ( -0.044 -0.728 -2.073) 2.197 6.840 ( -1.247 -3.067 -1.668) 3.707 7.300 ( 0.910 2.194 -2.389) 3.368 7.308 ( -0.094 1.253 -2.380) 2.691 8.608 ( 1.843 9.139 2.544) 9.663 8.720 ( -3.496 3.035 1.778) 4.959 8.895 ( -3.361 -5.248 0.011) 6.232 8.954 ( -5.167 -6.087 -1.823) 8.190 9.418 ( 7.274 5.222 4.041) 9.824 9.572 ( 5.183 -10.242 4.504) 12.331 9.807 ( 0.396 8.997 -2.144) 9.257 10.025 ( -0.735 -6.981 -4.240) 8.200 10.096 ( 3.052 1.111 -1.258) 3.483 10.162 ( 0.252 2.790 0.174) 2.807 10.458 ( 3.965 -1.604 -1.390) 4.498 10.545 ( -0.367 -7.598 -1.370) 7.729 10.776 ( 1.404 6.806 -2.111) 7.263 10.930 ( 1.195 -8.359 1.561) 8.588 11.280 ( -9.468 1.014 -1.979) 9.726 11.333 ( -8.904 -3.786 -1.018) 9.729 12.013 ( 0.609 1.305 4.020) 4.270 12.052 ( 0.775 -2.480 4.429) 5.135 12.166 ( -0.054 6.471 -1.599) 6.666 12.263 ( 1.601 -3.079 -4.172) 5.427 19.354 ( -1.670 1.677 2.782) 3.653 19.388 ( -0.665 -1.687 0.253) 1.831 19.986 ( 4.957 0.218 0.561) 4.993 20.009 ( 2.792 -2.236 2.830) 4.562 20.402 ( -1.310 0.834 0.480) 1.626 20.425 ( 0.119 -1.516 1.503) 2.138 20.723 ( -9.875 3.507 -0.584) 10.495 20.807 ( -9.609 -5.085 -3.578) 11.445 21.538 ( 0.324 2.068 3.303) 3.910 21.573 ( -0.075 -1.048 2.279) 2.510 21.753 ( 2.866 1.637 -2.509) 4.146 21.820 ( -0.277 -4.923 -1.461) 5.143 22.784 ( -1.611 2.126 0.149) 2.671 22.797 ( -1.899 0.841 -0.066) 2.078 23.753 ( 5.138 8.701 -0.198) 10.106 23.853 ( 6.763 -0.954 -5.576) 8.817 =================== 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 3/29400 10.0 939.221 1022.687 876.498 0.000 -63.024 0.000 3/29400 20.0 147.980 176.606 134.457 0.000 3.227 0.000 3/29400 30.0 42.767 56.071 41.101 0.000 0.515 0.000 3/29400 40.0 20.069 27.586 19.916 0.000 0.112 0.000 3/29400 50.0 12.165 17.227 12.284 0.000 0.009 0.000 3/29400 60.0 8.518 12.305 8.686 0.000 -0.025 0.000 3/29400 70.0 6.509 9.531 6.675 0.000 -0.036 0.000 3/29400 80.0 5.262 7.780 5.415 0.000 -0.038 0.000 3/29400 90.0 4.421 6.583 4.558 0.000 -0.038 0.000 3/29400 100.0 3.819 5.716 3.940 0.000 -0.036 0.000 3/29400 110.0 3.368 5.060 3.475 0.000 -0.034 0.000 3/29400 120.0 3.017 4.547 3.112 0.000 -0.032 0.000 3/29400 130.0 2.738 4.134 2.821 0.000 -0.030 0.000 3/29400 140.0 2.510 3.796 2.583 0.000 -0.028 0.000 3/29400 150.0 2.320 3.512 2.384 0.000 -0.026 0.000 3/29400 160.0 2.161 3.272 2.216 0.000 -0.025 0.000 3/29400 170.0 2.024 3.065 2.071 0.000 -0.024 0.000 3/29400 180.0 1.906 2.885 1.946 0.000 -0.022 0.000 3/29400 190.0 1.803 2.727 1.835 0.000 -0.021 0.000 3/29400 200.0 1.712 2.588 1.738 0.000 -0.020 0.000 3/29400 210.0 1.631 2.463 1.651 0.000 -0.019 0.000 3/29400 220.0 1.559 2.351 1.573 0.000 -0.018 0.000 3/29400 230.0 1.494 2.250 1.503 0.000 -0.018 0.000 3/29400 240.0 1.435 2.158 1.439 0.000 -0.017 0.000 3/29400 250.0 1.381 2.074 1.380 0.000 -0.016 0.000 3/29400 260.0 1.332 1.997 1.327 0.000 -0.016 0.000 3/29400 270.0 1.287 1.926 1.278 0.000 -0.015 0.000 3/29400 280.0 1.245 1.860 1.232 0.000 -0.015 0.000 3/29400 290.0 1.206 1.799 1.190 0.000 -0.014 0.000 3/29400 300.0 1.169 1.742 1.151 0.000 -0.014 0.000 3/29400 310.0 1.136 1.689 1.114 0.000 -0.014 0.000 3/29400 320.0 1.104 1.640 1.080 0.000 -0.013 0.000 3/29400 330.0 1.074 1.593 1.048 0.000 -0.013 0.000 3/29400 340.0 1.046 1.549 1.017 0.000 -0.013 0.000 3/29400 350.0 1.019 1.508 0.989 0.000 -0.012 0.000 3/29400 360.0 0.994 1.469 0.962 0.000 -0.012 0.000 3/29400 370.0 0.970 1.431 0.937 0.000 -0.012 0.000 3/29400 380.0 0.947 1.396 0.913 0.000 -0.011 0.000 3/29400 390.0 0.925 1.363 0.890 0.000 -0.011 0.000 3/29400 400.0 0.905 1.331 0.868 0.000 -0.011 0.000 3/29400 410.0 0.885 1.301 0.848 0.000 -0.011 0.000 3/29400 420.0 0.866 1.272 0.828 0.000 -0.010 0.000 3/29400 430.0 0.848 1.244 0.809 0.000 -0.010 0.000 3/29400 440.0 0.831 1.218 0.791 0.000 -0.010 0.000 3/29400 450.0 0.814 1.192 0.774 0.000 -0.010 0.000 3/29400 460.0 0.798 1.168 0.758 0.000 -0.010 0.000 3/29400 470.0 0.783 1.145 0.742 0.000 -0.009 0.000 3/29400 480.0 0.768 1.122 0.727 0.000 -0.009 0.000 3/29400 490.0 0.754 1.101 0.713 0.000 -0.009 0.000 3/29400 500.0 0.740 1.080 0.699 0.000 -0.009 0.000 3/29400 510.0 0.727 1.060 0.686 0.000 -0.009 0.000 3/29400 520.0 0.714 1.041 0.673 0.000 -0.009 0.000 3/29400 530.0 0.702 1.023 0.660 0.000 -0.009 0.000 3/29400 540.0 0.690 1.005 0.649 0.000 -0.008 0.000 3/29400 550.0 0.679 0.988 0.637 0.000 -0.008 0.000 3/29400 560.0 0.668 0.971 0.626 0.000 -0.008 0.000 3/29400 570.0 0.657 0.955 0.615 0.000 -0.008 0.000 3/29400 580.0 0.646 0.939 0.605 0.000 -0.008 0.000 3/29400 590.0 0.636 0.924 0.595 0.000 -0.008 0.000 3/29400 600.0 0.627 0.909 0.585 0.000 -0.008 0.000 3/29400 610.0 0.617 0.895 0.576 0.000 -0.008 0.000 3/29400 620.0 0.608 0.882 0.567 0.000 -0.007 0.000 3/29400 630.0 0.599 0.868 0.558 0.000 -0.007 0.000 3/29400 640.0 0.590 0.855 0.549 0.000 -0.007 0.000 3/29400 650.0 0.582 0.843 0.541 0.000 -0.007 0.000 3/29400 660.0 0.574 0.831 0.533 0.000 -0.007 0.000 3/29400 670.0 0.566 0.819 0.525 0.000 -0.007 0.000 3/29400 680.0 0.558 0.807 0.518 0.000 -0.007 0.000 3/29400 690.0 0.550 0.796 0.510 0.000 -0.007 0.000 3/29400 700.0 0.543 0.785 0.503 0.000 -0.007 0.000 3/29400 710.0 0.536 0.775 0.496 0.000 -0.007 0.000 3/29400 720.0 0.529 0.764 0.490 0.000 -0.006 0.000 3/29400 730.0 0.522 0.754 0.483 0.000 -0.006 0.000 3/29400 740.0 0.515 0.744 0.477 0.000 -0.006 0.000 3/29400 750.0 0.509 0.735 0.470 0.000 -0.006 0.000 3/29400 760.0 0.503 0.726 0.464 0.000 -0.006 0.000 3/29400 770.0 0.496 0.717 0.458 0.000 -0.006 0.000 3/29400 780.0 0.490 0.708 0.453 0.000 -0.006 0.000 3/29400 790.0 0.485 0.699 0.447 0.000 -0.006 0.000 3/29400 800.0 0.479 0.691 0.442 0.000 -0.006 0.000 3/29400 810.0 0.473 0.682 0.436 0.000 -0.006 0.000 3/29400 820.0 0.468 0.674 0.431 0.000 -0.006 0.000 3/29400 830.0 0.462 0.667 0.426 0.000 -0.006 0.000 3/29400 840.0 0.457 0.659 0.421 0.000 -0.006 0.000 3/29400 850.0 0.452 0.651 0.416 0.000 -0.006 0.000 3/29400 860.0 0.447 0.644 0.411 0.000 -0.006 0.000 3/29400 870.0 0.442 0.637 0.407 0.000 -0.005 0.000 3/29400 880.0 0.437 0.630 0.402 0.000 -0.005 0.000 3/29400 890.0 0.433 0.623 0.398 0.000 -0.005 0.000 3/29400 900.0 0.428 0.616 0.393 0.000 -0.005 0.000 3/29400 910.0 0.424 0.610 0.389 0.000 -0.005 0.000 3/29400 920.0 0.419 0.603 0.385 0.000 -0.005 0.000 3/29400 930.0 0.415 0.597 0.381 0.000 -0.005 0.000 3/29400 940.0 0.411 0.591 0.377 0.000 -0.005 0.000 3/29400 950.0 0.406 0.585 0.373 0.000 -0.005 0.000 3/29400 960.0 0.402 0.579 0.369 0.000 -0.005 0.000 3/29400 970.0 0.398 0.573 0.365 0.000 -0.005 0.000 3/29400 980.0 0.395 0.567 0.362 0.000 -0.005 0.000 3/29400 990.0 0.391 0.562 0.358 0.000 -0.005 0.000 3/29400 1000.0 0.387 0.556 0.354 0.000 -0.005 0.000 3/29400 Thermal conductivity related properties were written into "kappa-m1075.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:33:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|