----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.944696615323814 -5.710731090000001 0.000000000000000 b 2.944696615323814 5.710731090000001 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): *1 Ba 0.86513390032113 0.65236797891455 0.07544393562544 137.327 *2 Ba 0.97127367675321 0.55961272071239 0.65074053231759 137.327 3 Ba 0.55961272071239 0.97127367675321 0.15074053231759 137.327 4 Ba 0.34763202108545 0.13486609967887 0.42455606437456 137.327 5 Ba 0.65236797891455 0.86513390032113 0.57544393562544 137.327 6 Ba 0.44038727928761 0.02872632324679 0.84925946768241 137.327 7 Ba 0.02872632324679 0.44038727928761 0.34925946768241 137.327 8 Ba 0.13486609967887 0.34763202108545 0.92455606437456 137.327 *9 Mg 0.73447950239385 0.73211136716982 0.83449305684988 24.305 10 Mg 0.73211136716983 0.73447950239385 0.33449305684988 24.305 11 Mg 0.26788863283017 0.26552049760615 0.66550694315012 24.305 12 Mg 0.26552049760615 0.26788863283017 0.16550694315012 24.305 *13 O 0.87631683506481 0.68131279347852 0.46399601502902 15.999 *14 O 0.84431165825176 0.50611698346503 0.86792550417569 15.999 *15 O 0.58964536884212 0.41035463115788 0.25000000000000 15.999 *16 O 0.99638701321924 0.00361298678076 0.25000000000000 15.999 17 O 0.49388301653497 0.15568834174824 0.63207449582431 15.999 18 O 0.31868720652148 0.12368316493519 0.03600398497098 15.999 19 O 0.68131279347852 0.87631683506481 0.96399601502902 15.999 20 O 0.50611698346503 0.84431165825176 0.36792550417569 15.999 21 O 0.41035463115788 0.58964536884212 0.75000000000000 15.999 22 O 0.00361298678076 0.99638701321924 0.75000000000000 15.999 23 O 0.15568834174824 0.49388301653497 0.13207449582431 15.999 24 O 0.12368316493519 0.31868720652148 0.53600398497098 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.889393230647627 0.000000000000000 0.000000000000000 b 0.000000000000000 11.421462180000002 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): *1 Ba 0.25875093961784 0.39361703929671 0.07544393562544 137.327 > 1 *2 Ba 0.26544319873280 0.29416952197959 0.65074053231759 137.327 > 2 3 Ba 0.76544319873280 0.20583047802041 0.15074053231759 137.327 > 3 4 Ba 0.74124906038216 0.39361703929671 0.42455606437456 137.327 > 4 5 Ba 0.75875093961784 0.10638296070329 0.57544393562544 137.327 > 5 6 Ba 0.73455680126720 0.29416952197959 0.84925946768241 137.327 > 6 7 Ba 0.23455680126720 0.20583047802041 0.34925946768241 137.327 > 7 8 Ba 0.24124906038216 0.10638296070329 0.92455606437456 137.327 > 8 9 Ba 0.75875093961784 0.89361703929671 0.07544393562544 137.327 > 1 10 Ba 0.76544319873280 0.79416952197959 0.65074053231759 137.327 > 2 11 Ba 0.26544319873280 0.70583047802041 0.15074053231759 137.327 > 3 12 Ba 0.24124906038216 0.89361703929671 0.42455606437456 137.327 > 4 13 Ba 0.25875093961784 0.60638296070329 0.57544393562544 137.327 > 5 14 Ba 0.23455680126720 0.79416952197959 0.84925946768241 137.327 > 6 15 Ba 0.73455680126720 0.70583047802041 0.34925946768241 137.327 > 7 16 Ba 0.74124906038216 0.60638296070329 0.92455606437456 137.327 > 8 *17 Mg 0.23329543478184 0.49881593238799 0.83449305684988 24.305 > 9 18 Mg 0.73329543478184 0.00118406761201 0.33449305684988 24.305 > 10 19 Mg 0.76670456521816 0.49881593238799 0.66550694315012 24.305 > 11 20 Mg 0.26670456521816 0.00118406761201 0.16550694315012 24.305 > 12 21 Mg 0.73329543478184 0.99881593238799 0.83449305684988 24.305 > 9 22 Mg 0.23329543478184 0.50118406761201 0.33449305684988 24.305 > 10 23 Mg 0.26670456521816 0.99881593238799 0.66550694315012 24.305 > 11 24 Mg 0.76670456521816 0.50118406761201 0.16550694315012 24.305 > 12 *25 O 0.27881481427166 0.40249797920686 0.46399601502902 15.999 > 13 *26 O 0.17521432085840 0.33090266260663 0.86792550417569 15.999 > 14 *27 O 0.00000000000000 0.41035463115788 0.25000000000000 15.999 > 15 *28 O 0.00000000000000 0.00361298678076 0.25000000000000 15.999 > 16 29 O 0.82478567914160 0.33090266260663 0.63207449582431 15.999 > 17 30 O 0.72118518572834 0.40249797920686 0.03600398497098 15.999 > 18 31 O 0.77881481427166 0.09750202079314 0.96399601502902 15.999 > 19 32 O 0.67521432085840 0.16909733739336 0.36792550417569 15.999 > 20 33 O 0.50000000000000 0.08964536884212 0.75000000000000 15.999 > 21 34 O 0.50000000000000 0.49638701321924 0.75000000000000 15.999 > 22 35 O 0.32478567914160 0.16909733739336 0.13207449582431 15.999 > 23 36 O 0.22118518572834 0.09750202079314 0.53600398497098 15.999 > 24 37 O 0.77881481427166 0.90249797920686 0.46399601502902 15.999 > 13 38 O 0.67521432085840 0.83090266260664 0.86792550417569 15.999 > 14 39 O 0.50000000000000 0.91035463115788 0.25000000000000 15.999 > 15 40 O 0.50000000000000 0.50361298678076 0.25000000000000 15.999 > 16 41 O 0.32478567914160 0.83090266260664 0.63207449582431 15.999 > 17 42 O 0.22118518572834 0.90249797920686 0.03600398497098 15.999 > 18 43 O 0.27881481427166 0.59750202079314 0.96399601502902 15.999 > 19 44 O 0.17521432085840 0.66909733739336 0.36792550417569 15.999 > 20 45 O 0.00000000000000 0.58964536884212 0.75000000000000 15.999 > 21 46 O 0.00000000000000 0.99638701321924 0.75000000000000 15.999 > 22 47 O 0.82478567914160 0.66909733739336 0.13207449582431 15.999 > 23 48 O 0.72118518572834 0.59750202079314 0.53600398497098 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.778786461295255 0.000000000000000 0.000000000000000 b 0.000000000000000 11.421462180000002 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): *1 Ba 0.12937546980892 0.39361703929671 0.07544393562544 137.327 > 1 2 Ba 0.62937546980892 0.39361703929671 0.07544393562544 137.327 > 1 *3 Ba 0.13272159936640 0.29416952197959 0.65074053231759 137.327 > 2 4 Ba 0.63272159936640 0.29416952197959 0.65074053231759 137.327 > 2 5 Ba 0.38272159936640 0.20583047802041 0.15074053231759 137.327 > 3 6 Ba 0.88272159936640 0.20583047802041 0.15074053231759 137.327 > 3 7 Ba 0.37062453019108 0.39361703929671 0.42455606437456 137.327 > 4 8 Ba 0.87062453019108 0.39361703929671 0.42455606437456 137.327 > 4 9 Ba 0.37937546980892 0.10638296070329 0.57544393562544 137.327 > 5 10 Ba 0.87937546980892 0.10638296070329 0.57544393562544 137.327 > 5 11 Ba 0.36727840063360 0.29416952197959 0.84925946768241 137.327 > 6 12 Ba 0.86727840063360 0.29416952197959 0.84925946768241 137.327 > 6 13 Ba 0.11727840063360 0.20583047802041 0.34925946768241 137.327 > 7 14 Ba 0.61727840063360 0.20583047802041 0.34925946768241 137.327 > 7 15 Ba 0.12062453019108 0.10638296070329 0.92455606437456 137.327 > 8 16 Ba 0.62062453019108 0.10638296070329 0.92455606437456 137.327 > 8 17 Ba 0.37937546980892 0.89361703929671 0.07544393562544 137.327 > 1 18 Ba 0.87937546980892 0.89361703929671 0.07544393562544 137.327 > 1 19 Ba 0.38272159936640 0.79416952197959 0.65074053231759 137.327 > 2 20 Ba 0.88272159936640 0.79416952197959 0.65074053231759 137.327 > 2 21 Ba 0.13272159936640 0.70583047802041 0.15074053231759 137.327 > 3 22 Ba 0.63272159936640 0.70583047802041 0.15074053231759 137.327 > 3 23 Ba 0.12062453019108 0.89361703929671 0.42455606437456 137.327 > 4 24 Ba 0.62062453019108 0.89361703929671 0.42455606437456 137.327 > 4 25 Ba 0.12937546980892 0.60638296070329 0.57544393562544 137.327 > 5 26 Ba 0.62937546980892 0.60638296070329 0.57544393562544 137.327 > 5 27 Ba 0.11727840063360 0.79416952197959 0.84925946768241 137.327 > 6 28 Ba 0.61727840063360 0.79416952197959 0.84925946768241 137.327 > 6 29 Ba 0.36727840063360 0.70583047802041 0.34925946768241 137.327 > 7 30 Ba 0.86727840063360 0.70583047802041 0.34925946768241 137.327 > 7 31 Ba 0.37062453019108 0.60638296070329 0.92455606437456 137.327 > 8 32 Ba 0.87062453019108 0.60638296070329 0.92455606437456 137.327 > 8 *33 Mg 0.11664771739092 0.49881593238799 0.83449305684988 24.305 > 9 34 Mg 0.61664771739092 0.49881593238799 0.83449305684988 24.305 > 9 35 Mg 0.36664771739092 0.00118406761201 0.33449305684988 24.305 > 10 36 Mg 0.86664771739092 0.00118406761201 0.33449305684988 24.305 > 10 37 Mg 0.38335228260908 0.49881593238799 0.66550694315012 24.305 > 11 38 Mg 0.88335228260908 0.49881593238799 0.66550694315012 24.305 > 11 39 Mg 0.13335228260908 0.00118406761201 0.16550694315012 24.305 > 12 40 Mg 0.63335228260908 0.00118406761201 0.16550694315012 24.305 > 12 41 Mg 0.36664771739092 0.99881593238799 0.83449305684988 24.305 > 9 42 Mg 0.86664771739092 0.99881593238799 0.83449305684988 24.305 > 9 43 Mg 0.11664771739092 0.50118406761201 0.33449305684988 24.305 > 10 44 Mg 0.61664771739092 0.50118406761201 0.33449305684988 24.305 > 10 45 Mg 0.13335228260908 0.99881593238799 0.66550694315012 24.305 > 11 46 Mg 0.63335228260908 0.99881593238799 0.66550694315012 24.305 > 11 47 Mg 0.38335228260908 0.50118406761201 0.16550694315012 24.305 > 12 48 Mg 0.88335228260908 0.50118406761201 0.16550694315012 24.305 > 12 *49 O 0.13940740713583 0.40249797920686 0.46399601502902 15.999 > 13 50 O 0.63940740713583 0.40249797920686 0.46399601502902 15.999 > 13 *51 O 0.08760716042920 0.33090266260663 0.86792550417569 15.999 > 14 52 O 0.58760716042920 0.33090266260663 0.86792550417569 15.999 > 14 *53 O 0.00000000000000 0.41035463115788 0.25000000000000 15.999 > 15 54 O 0.50000000000000 0.41035463115788 0.25000000000000 15.999 > 15 *55 O 0.00000000000000 0.00361298678076 0.25000000000000 15.999 > 16 56 O 0.50000000000000 0.00361298678076 0.25000000000000 15.999 > 16 57 O 0.41239283957080 0.33090266260663 0.63207449582431 15.999 > 17 58 O 0.91239283957080 0.33090266260663 0.63207449582431 15.999 > 17 59 O 0.36059259286417 0.40249797920686 0.03600398497098 15.999 > 18 60 O 0.86059259286417 0.40249797920686 0.03600398497098 15.999 > 18 61 O 0.38940740713583 0.09750202079314 0.96399601502902 15.999 > 19 62 O 0.88940740713583 0.09750202079314 0.96399601502902 15.999 > 19 63 O 0.33760716042920 0.16909733739336 0.36792550417569 15.999 > 20 64 O 0.83760716042920 0.16909733739336 0.36792550417569 15.999 > 20 65 O 0.25000000000000 0.08964536884212 0.75000000000000 15.999 > 21 66 O 0.75000000000000 0.08964536884212 0.75000000000000 15.999 > 21 67 O 0.25000000000000 0.49638701321924 0.75000000000000 15.999 > 22 68 O 0.75000000000000 0.49638701321924 0.75000000000000 15.999 > 22 69 O 0.16239283957080 0.16909733739336 0.13207449582431 15.999 > 23 70 O 0.66239283957080 0.16909733739336 0.13207449582431 15.999 > 23 71 O 0.11059259286417 0.09750202079314 0.53600398497098 15.999 > 24 72 O 0.61059259286417 0.09750202079314 0.53600398497098 15.999 > 24 73 O 0.38940740713583 0.90249797920686 0.46399601502902 15.999 > 13 74 O 0.88940740713583 0.90249797920686 0.46399601502902 15.999 > 13 75 O 0.33760716042920 0.83090266260664 0.86792550417569 15.999 > 14 76 O 0.83760716042920 0.83090266260664 0.86792550417569 15.999 > 14 77 O 0.25000000000000 0.91035463115788 0.25000000000000 15.999 > 15 78 O 0.75000000000000 0.91035463115788 0.25000000000000 15.999 > 15 79 O 0.25000000000000 0.50361298678076 0.25000000000000 15.999 > 16 80 O 0.75000000000000 0.50361298678076 0.25000000000000 15.999 > 16 81 O 0.16239283957080 0.83090266260664 0.63207449582431 15.999 > 17 82 O 0.66239283957080 0.83090266260664 0.63207449582431 15.999 > 17 83 O 0.11059259286417 0.90249797920686 0.03600398497098 15.999 > 18 84 O 0.61059259286417 0.90249797920686 0.03600398497098 15.999 > 18 85 O 0.13940740713583 0.59750202079314 0.96399601502902 15.999 > 19 86 O 0.63940740713583 0.59750202079314 0.96399601502902 15.999 > 19 87 O 0.08760716042920 0.66909733739336 0.36792550417569 15.999 > 20 88 O 0.58760716042920 0.66909733739336 0.36792550417569 15.999 > 20 89 O 0.00000000000000 0.58964536884212 0.75000000000000 15.999 > 21 90 O 0.50000000000000 0.58964536884212 0.75000000000000 15.999 > 21 91 O 0.00000000000000 0.99638701321924 0.75000000000000 15.999 > 22 92 O 0.50000000000000 0.99638701321924 0.75000000000000 15.999 > 22 93 O 0.41239283957080 0.66909733739336 0.13207449582431 15.999 > 23 94 O 0.91239283957080 0.66909733739336 0.13207449582431 15.999 > 23 95 O 0.36059259286417 0.59750202079314 0.53600398497098 15.999 > 24 96 O 0.86059259286417 0.59750202079314 0.53600398497098 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0672682 0.0000000 0.0161194 0.0000000 4.1342602 0.0000000 0.0161124 0.0000000 4.1591852 -------------------------- Born effective charges -------------------------- 1 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 2 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 3 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 4 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 5 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 6 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 7 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 8 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 9 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 10 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 11 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 12 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 13 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 14 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 15 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 16 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 17 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 18 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 19 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 20 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 21 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 22 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 23 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 24 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.726 Solver_block: 200 / 720 - Time: 0.658 Solver_block: 300 / 720 - Time: 0.647 Solver_block: 400 / 720 - Time: 0.645 Solver_block: 500 / 720 - Time: 0.649 Solver_block: 600 / 720 - Time: 0.652 Solver_block: 700 / 720 - Time: 0.648 Solver_block: 720 / 720 - Time: 0.239 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.973 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-09 03:41:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:41:21]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.944696615323814 -5.710731090000001 0.000000000000000 b 2.944696615323814 5.710731090000001 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): 1 Ba 0.86513390032113 0.65236797891455 0.07544393562544 137.327 2 Ba 0.97127367675321 0.55961272071239 0.65074053231759 137.327 3 Ba 0.55961272071239 0.97127367675321 0.15074053231759 137.327 4 Ba 0.34763202108545 0.13486609967887 0.42455606437456 137.327 5 Ba 0.65236797891455 0.86513390032113 0.57544393562544 137.327 6 Ba 0.44038727928761 0.02872632324679 0.84925946768241 137.327 7 Ba 0.02872632324679 0.44038727928761 0.34925946768241 137.327 8 Ba 0.13486609967887 0.34763202108545 0.92455606437456 137.327 9 Mg 0.73447950239385 0.73211136716982 0.83449305684988 24.305 10 Mg 0.73211136716983 0.73447950239385 0.33449305684988 24.305 11 Mg 0.26788863283017 0.26552049760615 0.66550694315012 24.305 12 Mg 0.26552049760615 0.26788863283017 0.16550694315012 24.305 13 O 0.87631683506481 0.68131279347852 0.46399601502902 15.999 14 O 0.84431165825176 0.50611698346503 0.86792550417569 15.999 15 O 0.58964536884212 0.41035463115788 0.25000000000000 15.999 16 O 0.99638701321924 0.00361298678076 0.25000000000000 15.999 17 O 0.49388301653497 0.15568834174824 0.63207449582431 15.999 18 O 0.31868720652148 0.12368316493519 0.03600398497098 15.999 19 O 0.68131279347852 0.87631683506481 0.96399601502902 15.999 20 O 0.50611698346503 0.84431165825176 0.36792550417569 15.999 21 O 0.41035463115788 0.58964536884212 0.75000000000000 15.999 22 O 0.00361298678076 0.99638701321924 0.75000000000000 15.999 23 O 0.15568834174824 0.49388301653497 0.13207449582431 15.999 24 O 0.12368316493519 0.31868720652148 0.53600398497098 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.778786461295255 0.000000000000000 0.000000000000000 b 0.000000000000000 11.421462180000002 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): 1 Ba 0.12937546980892 0.39361703929671 0.07544393562544 137.327 > 1 2 Ba 0.62937546980892 0.39361703929671 0.07544393562544 137.327 > 1 3 Ba 0.13272159936640 0.29416952197959 0.65074053231759 137.327 > 3 4 Ba 0.63272159936640 0.29416952197959 0.65074053231759 137.327 > 3 5 Ba 0.38272159936640 0.20583047802041 0.15074053231759 137.327 > 5 6 Ba 0.88272159936640 0.20583047802041 0.15074053231759 137.327 > 5 7 Ba 0.37062453019108 0.39361703929671 0.42455606437456 137.327 > 7 8 Ba 0.87062453019108 0.39361703929671 0.42455606437456 137.327 > 7 9 Ba 0.37937546980892 0.10638296070329 0.57544393562544 137.327 > 9 10 Ba 0.87937546980892 0.10638296070329 0.57544393562544 137.327 > 9 11 Ba 0.36727840063360 0.29416952197959 0.84925946768241 137.327 > 11 12 Ba 0.86727840063360 0.29416952197959 0.84925946768241 137.327 > 11 13 Ba 0.11727840063360 0.20583047802041 0.34925946768241 137.327 > 13 14 Ba 0.61727840063360 0.20583047802041 0.34925946768241 137.327 > 13 15 Ba 0.12062453019108 0.10638296070329 0.92455606437456 137.327 > 15 16 Ba 0.62062453019108 0.10638296070329 0.92455606437456 137.327 > 15 17 Ba 0.37937546980892 0.89361703929671 0.07544393562544 137.327 > 1 18 Ba 0.87937546980892 0.89361703929671 0.07544393562544 137.327 > 1 19 Ba 0.38272159936640 0.79416952197959 0.65074053231759 137.327 > 3 20 Ba 0.88272159936640 0.79416952197959 0.65074053231759 137.327 > 3 21 Ba 0.13272159936640 0.70583047802041 0.15074053231759 137.327 > 5 22 Ba 0.63272159936640 0.70583047802041 0.15074053231759 137.327 > 5 23 Ba 0.12062453019108 0.89361703929671 0.42455606437456 137.327 > 7 24 Ba 0.62062453019108 0.89361703929671 0.42455606437456 137.327 > 7 25 Ba 0.12937546980892 0.60638296070329 0.57544393562544 137.327 > 9 26 Ba 0.62937546980892 0.60638296070329 0.57544393562544 137.327 > 9 27 Ba 0.11727840063360 0.79416952197959 0.84925946768241 137.327 > 11 28 Ba 0.61727840063360 0.79416952197959 0.84925946768241 137.327 > 11 29 Ba 0.36727840063360 0.70583047802041 0.34925946768241 137.327 > 13 30 Ba 0.86727840063360 0.70583047802041 0.34925946768241 137.327 > 13 31 Ba 0.37062453019108 0.60638296070329 0.92455606437456 137.327 > 15 32 Ba 0.87062453019108 0.60638296070329 0.92455606437456 137.327 > 15 33 Mg 0.11664771739092 0.49881593238799 0.83449305684988 24.305 > 33 34 Mg 0.61664771739092 0.49881593238799 0.83449305684988 24.305 > 33 35 Mg 0.36664771739092 0.00118406761201 0.33449305684988 24.305 > 35 36 Mg 0.86664771739092 0.00118406761201 0.33449305684988 24.305 > 35 37 Mg 0.38335228260908 0.49881593238799 0.66550694315012 24.305 > 37 38 Mg 0.88335228260908 0.49881593238799 0.66550694315012 24.305 > 37 39 Mg 0.13335228260908 0.00118406761201 0.16550694315012 24.305 > 39 40 Mg 0.63335228260908 0.00118406761201 0.16550694315012 24.305 > 39 41 Mg 0.36664771739092 0.99881593238799 0.83449305684988 24.305 > 33 42 Mg 0.86664771739092 0.99881593238799 0.83449305684988 24.305 > 33 43 Mg 0.11664771739092 0.50118406761201 0.33449305684988 24.305 > 35 44 Mg 0.61664771739092 0.50118406761201 0.33449305684988 24.305 > 35 45 Mg 0.13335228260908 0.99881593238799 0.66550694315012 24.305 > 37 46 Mg 0.63335228260908 0.99881593238799 0.66550694315012 24.305 > 37 47 Mg 0.38335228260908 0.50118406761201 0.16550694315012 24.305 > 39 48 Mg 0.88335228260908 0.50118406761201 0.16550694315012 24.305 > 39 49 O 0.13940740713583 0.40249797920686 0.46399601502902 15.999 > 49 50 O 0.63940740713583 0.40249797920686 0.46399601502902 15.999 > 49 51 O 0.08760716042920 0.33090266260663 0.86792550417569 15.999 > 51 52 O 0.58760716042920 0.33090266260663 0.86792550417569 15.999 > 51 53 O 0.00000000000000 0.41035463115788 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.41035463115788 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.00361298678076 0.25000000000000 15.999 > 55 56 O 0.50000000000000 0.00361298678076 0.25000000000000 15.999 > 55 57 O 0.41239283957080 0.33090266260663 0.63207449582431 15.999 > 57 58 O 0.91239283957080 0.33090266260663 0.63207449582431 15.999 > 57 59 O 0.36059259286417 0.40249797920686 0.03600398497098 15.999 > 59 60 O 0.86059259286417 0.40249797920686 0.03600398497098 15.999 > 59 61 O 0.38940740713583 0.09750202079314 0.96399601502902 15.999 > 61 62 O 0.88940740713583 0.09750202079314 0.96399601502902 15.999 > 61 63 O 0.33760716042920 0.16909733739336 0.36792550417569 15.999 > 63 64 O 0.83760716042920 0.16909733739336 0.36792550417569 15.999 > 63 65 O 0.25000000000000 0.08964536884212 0.75000000000000 15.999 > 65 66 O 0.75000000000000 0.08964536884212 0.75000000000000 15.999 > 65 67 O 0.25000000000000 0.49638701321924 0.75000000000000 15.999 > 67 68 O 0.75000000000000 0.49638701321924 0.75000000000000 15.999 > 67 69 O 0.16239283957080 0.16909733739336 0.13207449582431 15.999 > 69 70 O 0.66239283957080 0.16909733739336 0.13207449582431 15.999 > 69 71 O 0.11059259286417 0.09750202079314 0.53600398497098 15.999 > 71 72 O 0.61059259286417 0.09750202079314 0.53600398497098 15.999 > 71 73 O 0.38940740713583 0.90249797920686 0.46399601502902 15.999 > 49 74 O 0.88940740713583 0.90249797920686 0.46399601502902 15.999 > 49 75 O 0.33760716042920 0.83090266260664 0.86792550417569 15.999 > 51 76 O 0.83760716042920 0.83090266260664 0.86792550417569 15.999 > 51 77 O 0.25000000000000 0.91035463115788 0.25000000000000 15.999 > 53 78 O 0.75000000000000 0.91035463115788 0.25000000000000 15.999 > 53 79 O 0.25000000000000 0.50361298678076 0.25000000000000 15.999 > 55 80 O 0.75000000000000 0.50361298678076 0.25000000000000 15.999 > 55 81 O 0.16239283957080 0.83090266260664 0.63207449582431 15.999 > 57 82 O 0.66239283957080 0.83090266260664 0.63207449582431 15.999 > 57 83 O 0.11059259286417 0.90249797920686 0.03600398497098 15.999 > 59 84 O 0.61059259286417 0.90249797920686 0.03600398497098 15.999 > 59 85 O 0.13940740713583 0.59750202079314 0.96399601502902 15.999 > 61 86 O 0.63940740713583 0.59750202079314 0.96399601502902 15.999 > 61 87 O 0.08760716042920 0.66909733739336 0.36792550417569 15.999 > 63 88 O 0.58760716042920 0.66909733739336 0.36792550417569 15.999 > 63 89 O 0.00000000000000 0.58964536884212 0.75000000000000 15.999 > 65 90 O 0.50000000000000 0.58964536884212 0.75000000000000 15.999 > 65 91 O 0.00000000000000 0.99638701321924 0.75000000000000 15.999 > 67 92 O 0.50000000000000 0.99638701321924 0.75000000000000 15.999 > 67 93 O 0.41239283957080 0.66909733739336 0.13207449582431 15.999 > 69 94 O 0.91239283957080 0.66909733739336 0.13207449582431 15.999 > 69 95 O 0.36059259286417 0.59750202079314 0.53600398497098 15.999 > 71 96 O 0.86059259286417 0.59750202079314 0.53600398497098 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0672682 0.0000000 0.0161194 0.0000000 4.1342602 0.0000000 0.0161124 0.0000000 4.1591852 -------------------------- Born effective charges -------------------------- 1 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 2 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 3 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 4 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 5 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 6 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 7 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 8 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 9 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 10 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 11 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 12 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 13 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 14 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 15 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 16 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 17 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 18 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 19 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 20 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 21 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 22 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 23 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 24 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 53, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:41:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:41:45]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.944696615323814 -5.710731090000001 0.000000000000000 b 2.944696615323814 5.710731090000001 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): 1 Ba 0.86513390032113 0.65236797891455 0.07544393562544 137.327 2 Ba 0.97127367675321 0.55961272071239 0.65074053231759 137.327 3 Ba 0.55961272071239 0.97127367675321 0.15074053231759 137.327 4 Ba 0.34763202108545 0.13486609967887 0.42455606437456 137.327 5 Ba 0.65236797891455 0.86513390032113 0.57544393562544 137.327 6 Ba 0.44038727928761 0.02872632324679 0.84925946768241 137.327 7 Ba 0.02872632324679 0.44038727928761 0.34925946768241 137.327 8 Ba 0.13486609967887 0.34763202108545 0.92455606437456 137.327 9 Mg 0.73447950239385 0.73211136716982 0.83449305684988 24.305 10 Mg 0.73211136716983 0.73447950239385 0.33449305684988 24.305 11 Mg 0.26788863283017 0.26552049760615 0.66550694315012 24.305 12 Mg 0.26552049760615 0.26788863283017 0.16550694315012 24.305 13 O 0.87631683506481 0.68131279347852 0.46399601502902 15.999 14 O 0.84431165825176 0.50611698346503 0.86792550417569 15.999 15 O 0.58964536884212 0.41035463115788 0.25000000000000 15.999 16 O 0.99638701321924 0.00361298678076 0.25000000000000 15.999 17 O 0.49388301653497 0.15568834174824 0.63207449582431 15.999 18 O 0.31868720652148 0.12368316493519 0.03600398497098 15.999 19 O 0.68131279347852 0.87631683506481 0.96399601502902 15.999 20 O 0.50611698346503 0.84431165825176 0.36792550417569 15.999 21 O 0.41035463115788 0.58964536884212 0.75000000000000 15.999 22 O 0.00361298678076 0.99638701321924 0.75000000000000 15.999 23 O 0.15568834174824 0.49388301653497 0.13207449582431 15.999 24 O 0.12368316493519 0.31868720652148 0.53600398497098 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.778786461295255 0.000000000000000 0.000000000000000 b 0.000000000000000 11.421462180000002 0.000000000000000 c -0.698552241831176 0.000000000000000 12.569192011817035 Atomic positions (fractional): 1 Ba 0.12937546980892 0.39361703929671 0.07544393562544 137.327 > 1 2 Ba 0.62937546980892 0.39361703929671 0.07544393562544 137.327 > 1 3 Ba 0.13272159936640 0.29416952197959 0.65074053231759 137.327 > 3 4 Ba 0.63272159936640 0.29416952197959 0.65074053231759 137.327 > 3 5 Ba 0.38272159936640 0.20583047802041 0.15074053231759 137.327 > 5 6 Ba 0.88272159936640 0.20583047802041 0.15074053231759 137.327 > 5 7 Ba 0.37062453019108 0.39361703929671 0.42455606437456 137.327 > 7 8 Ba 0.87062453019108 0.39361703929671 0.42455606437456 137.327 > 7 9 Ba 0.37937546980892 0.10638296070329 0.57544393562544 137.327 > 9 10 Ba 0.87937546980892 0.10638296070329 0.57544393562544 137.327 > 9 11 Ba 0.36727840063360 0.29416952197959 0.84925946768241 137.327 > 11 12 Ba 0.86727840063360 0.29416952197959 0.84925946768241 137.327 > 11 13 Ba 0.11727840063360 0.20583047802041 0.34925946768241 137.327 > 13 14 Ba 0.61727840063360 0.20583047802041 0.34925946768241 137.327 > 13 15 Ba 0.12062453019108 0.10638296070329 0.92455606437456 137.327 > 15 16 Ba 0.62062453019108 0.10638296070329 0.92455606437456 137.327 > 15 17 Ba 0.37937546980892 0.89361703929671 0.07544393562544 137.327 > 1 18 Ba 0.87937546980892 0.89361703929671 0.07544393562544 137.327 > 1 19 Ba 0.38272159936640 0.79416952197959 0.65074053231759 137.327 > 3 20 Ba 0.88272159936640 0.79416952197959 0.65074053231759 137.327 > 3 21 Ba 0.13272159936640 0.70583047802041 0.15074053231759 137.327 > 5 22 Ba 0.63272159936640 0.70583047802041 0.15074053231759 137.327 > 5 23 Ba 0.12062453019108 0.89361703929671 0.42455606437456 137.327 > 7 24 Ba 0.62062453019108 0.89361703929671 0.42455606437456 137.327 > 7 25 Ba 0.12937546980892 0.60638296070329 0.57544393562544 137.327 > 9 26 Ba 0.62937546980892 0.60638296070329 0.57544393562544 137.327 > 9 27 Ba 0.11727840063360 0.79416952197959 0.84925946768241 137.327 > 11 28 Ba 0.61727840063360 0.79416952197959 0.84925946768241 137.327 > 11 29 Ba 0.36727840063360 0.70583047802041 0.34925946768241 137.327 > 13 30 Ba 0.86727840063360 0.70583047802041 0.34925946768241 137.327 > 13 31 Ba 0.37062453019108 0.60638296070329 0.92455606437456 137.327 > 15 32 Ba 0.87062453019108 0.60638296070329 0.92455606437456 137.327 > 15 33 Mg 0.11664771739092 0.49881593238799 0.83449305684988 24.305 > 33 34 Mg 0.61664771739092 0.49881593238799 0.83449305684988 24.305 > 33 35 Mg 0.36664771739092 0.00118406761201 0.33449305684988 24.305 > 35 36 Mg 0.86664771739092 0.00118406761201 0.33449305684988 24.305 > 35 37 Mg 0.38335228260908 0.49881593238799 0.66550694315012 24.305 > 37 38 Mg 0.88335228260908 0.49881593238799 0.66550694315012 24.305 > 37 39 Mg 0.13335228260908 0.00118406761201 0.16550694315012 24.305 > 39 40 Mg 0.63335228260908 0.00118406761201 0.16550694315012 24.305 > 39 41 Mg 0.36664771739092 0.99881593238799 0.83449305684988 24.305 > 33 42 Mg 0.86664771739092 0.99881593238799 0.83449305684988 24.305 > 33 43 Mg 0.11664771739092 0.50118406761201 0.33449305684988 24.305 > 35 44 Mg 0.61664771739092 0.50118406761201 0.33449305684988 24.305 > 35 45 Mg 0.13335228260908 0.99881593238799 0.66550694315012 24.305 > 37 46 Mg 0.63335228260908 0.99881593238799 0.66550694315012 24.305 > 37 47 Mg 0.38335228260908 0.50118406761201 0.16550694315012 24.305 > 39 48 Mg 0.88335228260908 0.50118406761201 0.16550694315012 24.305 > 39 49 O 0.13940740713583 0.40249797920686 0.46399601502902 15.999 > 49 50 O 0.63940740713583 0.40249797920686 0.46399601502902 15.999 > 49 51 O 0.08760716042920 0.33090266260663 0.86792550417569 15.999 > 51 52 O 0.58760716042920 0.33090266260663 0.86792550417569 15.999 > 51 53 O 0.00000000000000 0.41035463115788 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.41035463115788 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.00361298678076 0.25000000000000 15.999 > 55 56 O 0.50000000000000 0.00361298678076 0.25000000000000 15.999 > 55 57 O 0.41239283957080 0.33090266260663 0.63207449582431 15.999 > 57 58 O 0.91239283957080 0.33090266260663 0.63207449582431 15.999 > 57 59 O 0.36059259286417 0.40249797920686 0.03600398497098 15.999 > 59 60 O 0.86059259286417 0.40249797920686 0.03600398497098 15.999 > 59 61 O 0.38940740713583 0.09750202079314 0.96399601502902 15.999 > 61 62 O 0.88940740713583 0.09750202079314 0.96399601502902 15.999 > 61 63 O 0.33760716042920 0.16909733739336 0.36792550417569 15.999 > 63 64 O 0.83760716042920 0.16909733739336 0.36792550417569 15.999 > 63 65 O 0.25000000000000 0.08964536884212 0.75000000000000 15.999 > 65 66 O 0.75000000000000 0.08964536884212 0.75000000000000 15.999 > 65 67 O 0.25000000000000 0.49638701321924 0.75000000000000 15.999 > 67 68 O 0.75000000000000 0.49638701321924 0.75000000000000 15.999 > 67 69 O 0.16239283957080 0.16909733739336 0.13207449582431 15.999 > 69 70 O 0.66239283957080 0.16909733739336 0.13207449582431 15.999 > 69 71 O 0.11059259286417 0.09750202079314 0.53600398497098 15.999 > 71 72 O 0.61059259286417 0.09750202079314 0.53600398497098 15.999 > 71 73 O 0.38940740713583 0.90249797920686 0.46399601502902 15.999 > 49 74 O 0.88940740713583 0.90249797920686 0.46399601502902 15.999 > 49 75 O 0.33760716042920 0.83090266260664 0.86792550417569 15.999 > 51 76 O 0.83760716042920 0.83090266260664 0.86792550417569 15.999 > 51 77 O 0.25000000000000 0.91035463115788 0.25000000000000 15.999 > 53 78 O 0.75000000000000 0.91035463115788 0.25000000000000 15.999 > 53 79 O 0.25000000000000 0.50361298678076 0.25000000000000 15.999 > 55 80 O 0.75000000000000 0.50361298678076 0.25000000000000 15.999 > 55 81 O 0.16239283957080 0.83090266260664 0.63207449582431 15.999 > 57 82 O 0.66239283957080 0.83090266260664 0.63207449582431 15.999 > 57 83 O 0.11059259286417 0.90249797920686 0.03600398497098 15.999 > 59 84 O 0.61059259286417 0.90249797920686 0.03600398497098 15.999 > 59 85 O 0.13940740713583 0.59750202079314 0.96399601502902 15.999 > 61 86 O 0.63940740713583 0.59750202079314 0.96399601502902 15.999 > 61 87 O 0.08760716042920 0.66909733739336 0.36792550417569 15.999 > 63 88 O 0.58760716042920 0.66909733739336 0.36792550417569 15.999 > 63 89 O 0.00000000000000 0.58964536884212 0.75000000000000 15.999 > 65 90 O 0.50000000000000 0.58964536884212 0.75000000000000 15.999 > 65 91 O 0.00000000000000 0.99638701321924 0.75000000000000 15.999 > 67 92 O 0.50000000000000 0.99638701321924 0.75000000000000 15.999 > 67 93 O 0.41239283957080 0.66909733739336 0.13207449582431 15.999 > 69 94 O 0.91239283957080 0.66909733739336 0.13207449582431 15.999 > 69 95 O 0.36059259286417 0.59750202079314 0.53600398497098 15.999 > 71 96 O 0.86059259286417 0.59750202079314 0.53600398497098 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0672682 0.0000000 0.0161194 0.0000000 4.1342602 0.0000000 0.0161124 0.0000000 4.1591852 -------------------------- Born effective charges -------------------------- 1 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 2 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 3 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 4 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 5 Ba 2.4837043 -0.0587168 -0.0362846 -0.0344152 2.6462765 0.0170955 -0.0946564 0.0936314 2.7490412 6 Ba 2.5599002 0.0284172 0.0616496 0.0022325 2.5577499 -0.0275089 0.1214223 -0.1085547 2.8105268 7 Ba 2.5599002 -0.0284172 0.0616496 -0.0022325 2.5577499 0.0275089 0.1214223 0.1085547 2.8105268 8 Ba 2.4837043 0.0587168 -0.0362846 0.0344152 2.6462765 -0.0170955 -0.0946564 -0.0936314 2.7490412 9 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 10 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 11 Mg 1.6558039 -0.0016519 -0.0090845 0.0470867 1.8518935 -0.0761506 0.0024351 -0.0446944 1.7930900 12 Mg 1.6558039 0.0016519 -0.0090845 -0.0470867 1.8518935 0.0761506 0.0024351 0.0446944 1.7930900 13 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 14 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 15 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 16 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 17 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 18 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 19 O -2.1744120 0.0066153 0.0337063 0.0155920 -2.5464384 0.0929442 0.0750854 0.1764136 -2.4769464 20 O -2.3698567 0.0544675 -0.0527597 0.0437492 -2.3835216 0.0542731 -0.0709594 -0.0306732 -2.4735426 21 O -2.1189797 0.0000000 0.1063072 -0.0000000 -2.0827929 0.0000000 0.1069346 0.0000000 -2.4164920 22 O -2.1912994 0.0000000 -0.1007615 -0.0000000 -2.1691269 0.0000000 -0.1735887 0.0000000 -2.3878461 23 O -2.3698567 -0.0544675 -0.0527597 -0.0437492 -2.3835216 -0.0542731 -0.0709594 0.0306732 -2.4735426 24 O -2.1744120 -0.0066153 0.0337063 -0.0155920 -2.5464384 -0.0929442 0.0750854 -0.1764136 -2.4769464 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 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 1.583 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.068 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.310 ( 0.000 0.000 0.000) 0.000 14.317 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.469 ( 0.000 0.000 0.000) 0.000 19.375 ( 0.000 0.000 0.000) 0.000 19.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 18.390 -18.541 -0.047) 26.114 0.522 ( 23.743 -12.446 4.169) 27.130 0.817 ( 35.737 -19.822 -3.430) 41.009 1.652 ( 6.343 -0.924 6.813) 9.355 1.824 ( 3.348 -4.605 1.690) 5.939 1.942 ( -5.971 -0.120 -5.282) 7.973 2.207 ( -1.724 -0.574 -1.312) 2.241 2.384 ( -2.405 0.597 0.442) 2.517 2.527 ( -5.863 2.594 0.970) 6.485 2.594 ( -1.029 7.411 0.173) 7.485 2.659 ( -1.320 -0.337 -0.757) 1.559 2.732 ( -0.317 -0.695 -0.265) 0.808 2.782 ( -0.260 -6.539 -3.265) 7.314 2.916 ( -5.657 0.945 1.922) 6.048 3.141 ( 1.603 1.892 1.358) 2.828 3.184 ( -1.382 2.958 -2.359) 4.028 3.223 ( -6.103 -2.824 3.375) 7.524 3.362 ( -3.868 -2.804 -3.363) 5.842 3.525 ( 2.638 -0.341 -4.203) 4.974 3.597 ( 0.778 3.426 3.667) 5.078 3.604 ( 1.556 5.324 1.847) 5.847 3.723 ( 0.644 3.178 0.182) 3.248 3.896 ( 5.314 -0.720 2.754) 6.028 4.010 ( -2.600 -1.166 -1.934) 3.444 4.450 ( 9.761 21.080 -2.946) 23.416 4.523 ( 9.511 4.938 -0.463) 10.727 4.615 ( 1.054 -0.940 -3.012) 3.327 4.713 ( 1.318 2.088 -1.409) 2.843 4.927 ( -1.654 0.009 1.607) 2.306 5.157 ( 4.989 -0.252 -6.579) 8.260 5.406 ( 2.483 -6.880 -11.466) 13.600 5.784 ( -1.609 1.770 -7.880) 8.235 5.901 ( 2.683 13.346 27.835) 30.985 6.130 ( 2.707 -6.226 3.253) 7.528 6.282 ( 7.480 1.030 -1.956) 7.800 6.341 ( 4.684 -1.350 -10.415) 11.500 6.505 ( 5.604 7.488 16.416) 18.893 6.779 ( 7.577 10.521 0.316) 12.969 6.877 ( 14.325 0.479 1.216) 14.384 7.229 ( -15.548 -21.259 7.804) 27.470 7.335 ( 1.398 0.282 -1.390) 1.992 7.369 ( -5.239 -10.251 3.300) 11.976 7.737 ( -0.889 -1.655 -0.605) 1.974 8.049 ( -5.242 -1.377 -8.812) 10.346 8.360 ( 3.744 2.435 1.418) 4.686 8.618 ( 3.798 12.428 3.893) 13.566 8.753 ( 2.678 -2.588 0.925) 3.837 8.845 ( 7.594 -10.070 12.504) 17.760 9.464 ( 3.135 3.794 12.084) 13.048 9.603 ( 1.812 3.688 -5.977) 7.253 9.967 ( 13.091 23.751 -8.305) 28.363 10.055 ( 2.144 1.157 -2.308) 3.356 10.382 ( -6.803 11.930 -0.613) 13.747 10.719 ( 8.878 6.051 -7.387) 13.039 11.117 ( 5.759 20.676 -12.653) 24.915 11.375 ( -18.259 2.667 5.348) 19.212 11.661 ( 8.425 6.947 1.224) 10.988 12.022 ( 11.056 -5.861 -3.708) 13.052 12.872 ( -6.275 -1.067 -1.584) 6.559 13.012 ( -6.021 -6.861 0.085) 9.129 14.002 ( 9.257 1.992 -8.646) 12.822 14.141 ( 6.343 -1.503 0.583) 6.545 14.313 ( 0.560 -0.447 0.164) 0.735 14.328 ( 0.876 -0.974 -1.596) 2.065 14.766 ( 0.184 -7.022 3.303) 7.762 14.834 ( -1.148 -0.915 2.109) 2.570 15.000 ( -27.633 -56.030 18.430) 65.135 15.931 ( -15.957 -3.193 0.655) 16.287 16.546 ( 7.510 3.531 -5.948) 10.210 16.760 ( -5.174 -6.230 28.703) 29.823 19.648 ( -0.819 1.083 4.110) 4.328 19.733 ( 8.264 13.345 -29.827) 33.705 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 16.886 -16.103 -0.358) 23.336 1.024 ( 22.120 -11.620 4.528) 25.394 1.492 ( 22.117 -15.207 -2.421) 26.950 1.772 ( 2.187 -0.108 2.034) 2.989 1.823 ( -3.905 -3.900 0.144) 5.521 1.964 ( 6.572 -7.697 0.775) 10.150 2.148 ( -6.235 -2.000 -2.216) 6.912 2.358 ( 0.401 1.249 -0.568) 1.430 2.401 ( -5.359 2.421 2.803) 6.514 2.516 ( -2.410 5.821 1.431) 6.461 2.583 ( -5.854 2.980 -2.139) 6.909 2.703 ( -2.764 -0.686 -1.860) 3.401 2.779 ( -2.013 -1.315 -2.626) 3.560 2.843 ( -3.972 -0.204 2.864) 4.902 3.079 ( -6.517 -0.698 3.353) 7.362 3.171 ( -1.017 1.538 -1.996) 2.717 3.175 ( 1.953 2.392 0.008) 3.088 3.308 ( -5.445 -5.312 -4.590) 8.884 3.548 ( 0.307 7.819 4.085) 8.827 3.578 ( 2.830 2.695 2.955) 4.899 3.619 ( 3.873 1.231 0.680) 4.120 3.708 ( 1.772 4.015 -0.563) 4.425 3.964 ( -1.883 -1.613 -2.826) 3.759 4.014 ( 4.606 -1.026 1.225) 4.875 4.459 ( 7.747 10.124 2.478) 12.987 4.611 ( 2.449 4.011 -4.230) 6.323 4.656 ( 2.918 -1.016 -2.833) 4.192 4.757 ( 8.874 2.113 -0.454) 9.134 4.936 ( 2.618 -1.795 -0.785) 3.270 5.258 ( 6.811 0.633 -6.233) 9.254 5.484 ( 0.987 -4.170 -16.908) 17.443 5.726 ( -4.305 -0.620 5.058) 6.671 5.891 ( 7.193 11.121 18.193) 22.503 6.206 ( 2.223 -1.228 4.520) 5.185 6.429 ( 8.350 0.520 -5.025) 9.759 6.478 ( 11.513 0.188 -3.738) 12.106 6.584 ( 8.234 3.260 5.673) 10.517 6.817 ( 3.018 1.707 1.025) 3.616 7.038 ( 2.799 -1.035 4.541) 5.434 7.198 ( 0.271 -1.934 5.848) 6.166 7.332 ( -0.998 2.595 1.972) 3.409 7.435 ( 6.126 -5.207 -2.792) 8.511 7.775 ( 7.500 7.058 -2.019) 10.494 8.068 ( 5.885 -5.178 -10.382) 13.009 8.382 ( -1.827 -0.483 3.202) 3.718 8.506 ( -0.760 10.151 3.417) 10.738 8.759 ( -4.867 -1.602 -3.257) 6.072 9.168 ( 17.774 -2.152 9.628) 20.328 9.463 ( -4.457 -0.365 10.916) 11.796 9.529 ( -3.443 9.710 -4.432) 11.215 9.969 ( -5.271 1.761 0.408) 5.573 10.079 ( 4.576 -0.455 1.274) 4.772 10.234 ( 6.854 9.847 -13.955) 18.403 10.826 ( 7.104 0.242 -2.861) 7.663 10.972 ( -10.992 8.421 -0.481) 13.855 11.067 ( -8.795 1.718 -0.293) 8.966 11.782 ( 13.729 11.848 3.574) 18.484 12.232 ( 9.903 -1.430 -1.488) 10.116 12.762 ( -7.982 -3.377 -4.066) 9.573 12.981 ( -4.163 -6.216 1.281) 7.591 14.155 ( 10.369 1.436 -4.200) 11.280 14.260 ( 5.050 -1.302 0.281) 5.222 14.335 ( 1.970 0.462 1.124) 2.315 14.362 ( 1.811 -2.643 -2.719) 4.202 14.785 ( -4.157 -3.797 9.033) 10.644 14.856 ( -3.961 -11.684 0.732) 12.359 15.073 ( -3.161 -17.721 4.111) 18.464 15.687 ( -14.813 -2.950 -1.281) 15.158 16.597 ( 3.731 5.098 -5.138) 8.143 16.750 ( -2.024 -0.964 9.687) 9.943 19.627 ( -0.632 1.496 5.225) 5.471 19.727 ( 3.657 6.540 -12.118) 14.247 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.772 -11.168 -1.976) 17.081 1.469 ( 17.838 -9.223 7.132) 21.310 1.614 ( -4.591 -0.137 -10.164) 11.154 1.781 ( 1.260 1.232 7.948) 8.141 1.944 ( -0.217 -8.831 3.848) 9.635 2.044 ( -6.373 -4.808 -3.580) 8.750 2.204 ( 6.691 -9.476 -1.336) 11.677 2.312 ( -1.445 3.985 0.270) 4.247 2.369 ( 0.451 -0.399 0.639) 0.878 2.435 ( -0.840 -0.084 0.819) 1.176 2.469 ( -2.982 4.521 -1.308) 5.572 2.643 ( -5.830 0.334 -1.443) 6.015 2.737 ( -2.435 -0.505 -1.275) 2.795 2.803 ( 0.931 -0.646 0.330) 1.180 3.011 ( -4.236 -5.206 1.543) 6.886 3.120 ( -0.747 4.244 -3.943) 5.841 3.201 ( 2.394 2.135 2.427) 4.022 3.269 ( -3.303 -2.915 -3.114) 5.395 3.474 ( 0.375 10.163 5.643) 11.631 3.581 ( 2.239 6.375 3.628) 7.669 3.689 ( 1.717 -0.910 -0.095) 1.945 3.740 ( 4.486 -2.174 -1.228) 5.134 3.943 ( -2.247 -3.238 -4.379) 5.891 4.063 ( 0.923 2.668 2.562) 3.812 4.503 ( 2.762 4.650 0.681) 5.452 4.625 ( 4.476 1.103 0.528) 4.640 4.712 ( 3.379 -0.277 -2.415) 4.162 4.883 ( 5.522 -0.491 -1.635) 5.780 5.058 ( 9.623 0.189 -2.676) 9.990 5.344 ( 4.339 2.319 -3.111) 5.821 5.486 ( 2.043 1.241 -11.759) 11.999 5.651 ( -6.557 -2.773 3.294) 7.844 5.970 ( 7.657 9.001 12.887) 17.485 6.285 ( 6.828 -2.107 1.892) 7.392 6.497 ( -0.695 -0.935 -5.739) 5.856 6.659 ( 8.104 -1.050 4.894) 9.525 6.721 ( 9.950 1.195 2.646) 10.365 6.910 ( 8.406 -3.042 -1.843) 9.128 7.060 ( -0.075 -0.210 6.089) 6.093 7.248 ( 4.160 5.677 0.452) 7.052 7.324 ( 3.578 1.585 4.049) 5.631 7.570 ( 6.607 -0.762 -6.044) 8.987 7.878 ( 13.239 7.989 -1.758) 15.562 8.195 ( 0.098 2.631 -8.996) 9.373 8.332 ( 0.866 -0.509 -2.246) 2.460 8.478 ( 3.598 4.373 8.128) 9.907 8.665 ( -5.235 -2.201 -3.341) 6.588 9.137 ( -18.722 6.592 6.344) 20.837 9.324 ( -8.117 6.843 -5.702) 12.051 9.616 ( 15.665 -6.676 10.548) 20.031 9.758 ( -18.429 -3.660 3.687) 19.147 10.245 ( 15.898 5.596 1.834) 16.953 10.374 ( 13.119 2.797 -13.507) 19.036 10.698 ( -10.307 7.675 0.959) 12.886 10.922 ( -0.571 -7.339 5.350) 9.099 11.016 ( 2.558 0.861 -6.628) 7.157 11.912 ( 14.177 13.598 4.822) 20.228 12.357 ( 3.297 0.399 -0.795) 3.415 12.681 ( -3.624 -3.812 -6.553) 8.403 12.981 ( -3.031 -6.852 2.205) 7.810 14.293 ( 7.728 3.421 -2.861) 8.922 14.325 ( 1.550 -2.385 0.600) 2.907 14.375 ( 3.582 1.296 1.874) 4.245 14.433 ( 3.490 -2.887 -4.227) 6.196 14.746 ( -4.184 -2.185 8.698) 9.897 14.870 ( -6.228 -11.646 0.957) 13.241 15.176 ( 1.564 -6.587 0.586) 6.795 15.494 ( -10.741 -3.034 -2.032) 11.344 16.595 ( 1.910 4.373 -3.973) 6.209 16.727 ( -1.188 1.140 4.561) 4.848 19.613 ( -0.111 1.302 3.855) 4.070 19.720 ( 1.959 3.811 -5.606) 7.056 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.469 -3.406 -4.741) 6.338 1.542 ( 5.893 0.001 -3.169) 6.691 1.750 ( -1.521 3.470 7.958) 8.813 1.798 ( 5.471 -3.656 7.506) 9.982 1.946 ( 0.750 -8.139 -8.880) 12.069 2.073 ( 1.620 -7.951 4.534) 9.295 2.223 ( -2.088 3.309 -0.079) 3.913 2.289 ( -4.932 5.449 0.903) 7.405 2.318 ( 1.840 -2.295 -3.059) 4.244 2.418 ( -0.772 -1.056 -1.700) 2.146 2.488 ( -4.321 3.024 -2.926) 6.031 2.534 ( -1.759 -2.113 2.907) 4.001 2.726 ( 0.256 0.673 2.290) 2.400 2.918 ( 3.977 -12.835 -1.952) 13.578 3.030 ( -0.087 -7.068 0.034) 7.069 3.071 ( 0.378 4.949 -3.173) 5.891 3.202 ( 0.691 6.067 2.104) 6.458 3.249 ( -0.353 -2.263 -2.320) 3.260 3.393 ( -0.208 10.608 5.175) 11.805 3.554 ( 0.263 4.814 0.944) 4.913 3.726 ( 2.886 -0.166 -1.284) 3.163 3.832 ( 1.542 -4.087 1.169) 4.522 3.943 ( -0.947 -3.940 -3.542) 5.382 4.022 ( -1.238 4.379 2.647) 5.265 4.476 ( -1.191 2.076 -1.761) 2.972 4.700 ( 3.329 0.466 1.874) 3.848 4.782 ( 4.219 -0.614 -1.732) 4.602 4.934 ( -0.337 -0.592 1.561) 1.703 5.212 ( 9.188 0.168 -6.177) 11.073 5.357 ( 0.766 2.056 1.987) 2.960 5.536 ( 2.255 2.433 -4.363) 5.481 5.591 ( -1.589 -4.559 -1.824) 5.161 5.967 ( 0.782 7.803 8.176) 11.329 6.357 ( -4.260 -0.516 2.157) 4.803 6.576 ( 11.607 -5.015 -6.513) 14.223 6.782 ( 3.705 -2.543 3.905) 5.953 6.902 ( 9.710 -0.406 3.125) 10.209 7.042 ( 2.622 2.077 0.707) 3.419 7.097 ( 4.749 -0.531 3.643) 6.009 7.219 ( -0.879 3.545 -0.559) 3.695 7.415 ( 5.555 0.515 3.027) 6.347 7.686 ( 10.113 2.973 -6.999) 12.653 8.072 ( 12.651 3.377 -3.879) 13.657 8.073 ( -2.948 3.662 -6.473) 8.000 8.248 ( -10.265 3.143 5.055) 11.866 8.575 ( 6.799 3.376 -8.351) 11.285 8.644 ( -7.114 -4.802 9.418) 12.743 8.754 ( -13.032 2.557 3.794) 13.812 9.134 ( -5.977 5.064 -6.094) 9.925 9.479 ( -16.500 -4.277 6.712) 18.320 9.955 ( 15.080 -6.461 3.468) 16.768 10.435 ( 6.834 5.052 -10.206) 13.281 10.486 ( -1.902 10.383 8.143) 13.332 10.532 ( 6.158 0.080 -3.819) 7.246 10.967 ( -3.367 -10.992 9.496) 14.911 11.071 ( 4.072 1.289 -9.721) 10.618 12.037 ( 13.624 12.824 6.212) 19.714 12.325 ( -7.593 -4.413 -4.436) 9.839 12.699 ( 3.100 0.219 -3.913) 4.997 12.993 ( -2.300 -5.385 1.984) 6.183 14.344 ( 0.984 -1.347 -1.309) 2.120 14.365 ( 2.547 2.819 0.755) 3.873 14.442 ( 4.554 0.995 2.497) 5.288 14.499 ( 1.989 -1.594 -5.874) 6.403 14.707 ( -2.936 -1.480 6.851) 7.600 14.860 ( -4.219 -6.625 0.061) 7.854 15.231 ( 0.409 -2.421 -0.074) 2.456 15.374 ( -5.800 -2.087 -1.402) 6.322 16.588 ( 1.222 2.365 -2.292) 3.513 16.705 ( -0.517 1.145 2.315) 2.634 19.607 ( 0.089 0.744 1.852) 1.998 19.716 ( 0.907 1.828 -2.224) 3.019 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 -0.000 0.000) 0.000 1.644 ( -0.000 0.000 0.000) 0.000 1.656 ( 0.000 -0.000 -0.000) 0.000 1.835 ( 0.000 -0.000 -0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 -0.000) 0.000 2.174 ( 0.000 -0.000 -0.000) 0.000 2.279 ( -0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 -0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 -0.000) 0.000 2.731 ( 0.000 -0.000 -0.000) 0.000 3.021 ( 0.000 0.000 -0.000) 0.000 3.037 ( -0.000 -0.000 0.000) 0.000 3.121 ( 0.000 0.000 -0.000) 0.000 3.153 ( 0.000 -0.000 -0.000) 0.000 3.280 ( -0.000 0.000 0.000) 0.000 3.305 ( 0.000 -0.000 -0.000) 0.000 3.531 ( 0.000 -0.000 0.000) 0.000 3.762 ( 0.000 0.000 -0.000) 0.000 3.860 ( 0.000 -0.000 0.000) 0.000 3.957 ( 0.000 -0.000 -0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 -0.000 -0.000) 0.000 4.726 ( 0.000 -0.000 -0.000) 0.000 4.827 ( 0.000 -0.000 0.000) 0.000 4.922 ( 0.000 -0.000 -0.000) 0.000 5.329 ( 0.000 -0.000 -0.000) 0.000 5.331 ( -0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 -0.000) 0.000 5.624 ( 0.000 -0.000 -0.000) 0.000 5.933 ( 0.000 -0.000 0.000) 0.000 6.307 ( 0.000 -0.000 0.000) 0.000 6.746 ( 0.000 -0.000 -0.000) 0.000 6.822 ( 0.000 -0.000 0.000) 0.000 7.002 ( 0.000 -0.000 -0.000) 0.000 7.037 ( 0.000 -0.000 0.000) 0.000 7.126 ( 0.000 -0.000 -0.000) 0.000 7.204 ( 0.000 -0.000 0.000) 0.000 7.468 ( 0.000 -0.000 0.000) 0.000 7.814 ( 0.000 -0.000 -0.000) 0.000 8.006 ( 0.000 -0.000 0.000) 0.000 8.069 ( 0.000 0.000 -0.000) 0.000 8.273 ( 0.000 -0.000 0.000) 0.000 8.411 ( 0.000 -0.000 -0.000) 0.000 8.616 ( 0.000 -0.000 0.000) 0.000 8.752 ( 0.000 -0.000 -0.000) 0.000 9.057 ( 0.000 -0.000 0.000) 0.000 9.347 ( 0.000 0.000 -0.000) 0.000 10.233 ( -0.000 0.000 -0.000) 0.000 10.247 ( 0.000 -0.000 0.000) 0.000 10.532 ( 0.000 0.000 -0.000) 0.000 10.582 ( 0.000 -0.000 0.000) 0.000 11.001 ( 0.000 -0.000 0.000) 0.000 11.094 ( 0.000 -0.000 -0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.240 ( 0.000 -0.000 -0.000) 0.000 12.728 ( 0.000 0.000 -0.000) 0.000 12.998 ( 0.000 -0.000 -0.000) 0.000 14.361 ( 0.000 -0.000 -0.000) 0.000 14.369 ( 0.000 -0.000 -0.000) 0.000 14.487 ( 0.000 -0.000 -0.000) 0.000 14.514 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 -0.000 -0.000) 0.000 14.852 ( 0.000 -0.000 0.000) 0.000 15.243 ( 0.000 -0.000 0.000) 0.000 15.332 ( 0.000 -0.000 -0.000) 0.000 16.588 ( 0.000 -0.000 0.000) 0.000 16.696 ( 0.000 -0.000 0.000) 0.000 19.605 ( 0.000 -0.000 -0.000) 0.000 19.715 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 20.445 -0.000 -1.200) 20.481 0.916 ( 25.330 -0.000 6.289) 26.099 1.359 ( 31.085 -0.000 -3.416) 31.273 1.767 ( 5.423 -0.000 11.690) 12.887 1.804 ( -8.438 0.000 -9.749) 12.893 1.890 ( 6.326 -0.000 1.217) 6.442 2.130 ( -6.478 0.000 -1.286) 6.605 2.377 ( 0.739 -0.000 -0.819) 1.103 2.418 ( -5.775 0.000 2.352) 6.236 2.557 ( -8.183 0.000 -0.551) 8.201 2.655 ( -0.842 0.000 1.214) 1.478 2.696 ( -3.056 0.000 -1.982) 3.642 2.745 ( -0.079 0.000 -2.812) 2.813 2.835 ( -2.333 0.000 3.198) 3.958 3.057 ( -9.682 0.000 3.941) 10.453 3.190 ( -0.222 0.000 -0.006) 0.222 3.202 ( 0.573 -0.000 -4.231) 4.270 3.254 ( -3.932 0.000 -2.369) 4.591 3.563 ( 2.346 -0.000 -2.600) 3.502 3.651 ( 0.887 -0.000 5.885) 5.951 3.653 ( 2.861 -0.000 6.460) 7.065 3.750 ( 0.513 -0.000 -0.803) 0.953 3.944 ( -3.465 0.000 -5.986) 6.917 4.004 ( 6.786 -0.000 2.633) 7.279 4.580 ( 3.067 -0.000 -1.444) 3.390 4.632 ( 0.015 -0.000 2.533) 2.533 4.689 ( 0.867 -0.000 -8.124) 8.170 4.747 ( 8.560 -0.000 -4.805) 9.817 4.934 ( 3.321 -0.000 6.233) 7.063 5.279 ( 8.740 -0.000 -9.403) 12.837 5.412 ( 5.269 -0.000 -21.471) 22.108 5.718 ( -5.490 0.000 7.273) 9.112 6.041 ( 1.820 -0.000 4.332) 4.699 6.159 ( 4.224 -0.000 18.102) 18.588 6.440 ( 7.662 -0.000 -13.003) 15.092 6.472 ( 11.844 -0.000 3.703) 12.409 6.636 ( 5.981 -0.000 11.365) 12.843 6.863 ( -4.237 0.000 7.376) 8.506 6.933 ( -0.782 0.000 -5.225) 5.283 7.212 ( 14.716 -0.000 11.900) 18.925 7.353 ( 3.870 -0.000 -2.533) 4.626 7.376 ( 1.312 -0.000 0.534) 1.417 7.878 ( 17.039 -0.000 -4.078) 17.520 7.985 ( 0.760 -0.000 -11.161) 11.187 8.380 ( -2.579 0.000 3.124) 4.051 8.659 ( -6.508 0.000 6.990) 9.550 8.679 ( -2.613 0.000 -6.573) 7.074 9.137 ( 22.450 -0.000 15.859) 27.486 9.466 ( -8.966 0.000 10.045) 13.465 9.612 ( -2.206 0.000 -8.386) 8.671 10.001 ( -9.887 0.000 -1.803) 10.050 10.086 ( 5.847 -0.000 5.706) 8.170 10.305 ( -2.218 0.000 -8.409) 8.697 10.862 ( 5.456 -0.000 -12.198) 13.363 11.058 ( -17.725 0.000 4.481) 18.283 11.084 ( -7.338 0.000 -3.404) 8.089 12.025 ( 15.081 -0.000 -4.792) 15.824 12.152 ( 11.911 -0.000 -2.875) 12.253 12.733 ( -9.256 0.000 -2.515) 9.592 12.893 ( -4.046 0.000 2.576) 4.796 14.170 ( 9.947 -0.000 -6.861) 12.083 14.203 ( 1.279 -0.000 0.010) 1.279 14.342 ( 1.679 -0.000 -2.125) 2.708 14.357 ( 6.880 -0.000 2.307) 7.256 14.610 ( -0.761 0.000 20.699) 20.713 14.799 ( -2.419 0.000 2.547) 3.513 14.937 ( 9.378 -0.000 -0.581) 9.396 15.658 ( -14.673 0.000 -0.978) 14.706 16.655 ( 3.419 -0.000 -7.267) 8.031 16.726 ( -0.889 0.000 12.358) 12.390 19.641 ( -0.947 0.000 5.739) 5.816 19.796 ( 0.285 -0.000 -14.968) 14.970 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 15.657 -9.870 -1.952) 18.611 1.348 ( 22.036 -3.878 4.642) 22.851 1.651 ( -2.101 3.519 -7.729) 8.748 1.758 ( 7.132 -5.152 1.696) 8.960 1.835 ( 1.510 -0.661 10.911) 11.035 1.986 ( -5.607 -2.221 -6.411) 8.802 2.070 ( 7.088 -4.142 2.440) 8.565 2.351 ( -1.553 1.787 0.391) 2.400 2.378 ( -1.447 -0.643 1.156) 1.961 2.448 ( -1.276 1.339 -2.781) 3.340 2.565 ( -7.223 3.975 0.022) 8.244 2.639 ( -3.650 -0.719 -2.865) 4.696 2.725 ( -2.043 0.468 -1.781) 2.751 2.835 ( 1.175 1.978 4.335) 4.908 2.937 ( -5.068 -2.989 2.207) 6.284 3.118 ( -5.488 -3.794 -3.268) 7.429 3.205 ( 0.654 1.372 -2.761) 3.152 3.264 ( 1.743 0.702 1.079) 2.167 3.604 ( 1.757 -0.455 0.822) 1.993 3.638 ( -0.104 4.949 6.760) 8.378 3.692 ( 2.453 3.029 3.976) 5.568 3.759 ( 1.616 -0.754 0.997) 2.043 3.898 ( -1.694 -0.820 -9.549) 9.733 4.096 ( 3.262 0.881 2.028) 3.941 4.577 ( -1.731 3.202 -0.662) 3.699 4.637 ( 2.109 -0.435 1.771) 2.789 4.718 ( 4.003 1.281 -2.917) 5.116 4.861 ( 4.780 -1.801 -4.899) 7.078 5.079 ( 11.649 1.643 1.523) 11.862 5.379 ( 4.137 1.370 -4.614) 6.346 5.490 ( 4.363 -0.565 -18.061) 18.589 5.625 ( -6.047 -0.321 4.404) 7.488 6.099 ( 7.511 5.422 6.906) 11.554 6.229 ( 1.862 -3.661 11.186) 11.916 6.493 ( -1.651 0.169 -6.399) 6.611 6.639 ( 5.613 -0.789 6.466) 8.598 6.754 ( 8.626 1.906 5.325) 10.315 6.875 ( 6.713 -1.095 1.854) 7.049 6.966 ( 1.679 -5.634 -2.294) 6.311 7.365 ( 1.431 5.409 -1.011) 5.686 7.396 ( 9.642 5.166 6.790) 12.875 7.514 ( 8.817 -5.525 0.638) 10.425 8.017 ( 9.540 6.399 -9.236) 14.739 8.214 ( 12.577 -0.495 -8.434) 15.152 8.311 ( -1.918 -1.211 -0.833) 2.416 8.530 ( -5.458 1.701 6.693) 8.802 8.629 ( -4.730 -1.613 -4.709) 6.866 9.174 ( -22.230 0.101 9.275) 24.088 9.437 ( -15.027 2.824 -2.225) 15.451 9.540 ( 18.204 -2.220 14.241) 23.220 9.768 ( -12.878 3.803 0.695) 13.446 10.263 ( 13.227 0.294 -1.090) 13.275 10.363 ( 5.934 -4.372 -9.566) 12.076 10.815 ( -9.315 4.239 3.264) 10.742 10.883 ( -2.598 1.049 3.998) 4.882 11.035 ( 4.287 1.038 -11.335) 12.163 12.177 ( 13.723 13.652 -1.711) 19.433 12.351 ( 5.226 -1.100 -1.462) 5.537 12.595 ( -6.228 -3.996 -2.068) 7.683 12.867 ( -2.186 -6.041 0.419) 6.438 14.231 ( -1.004 -5.964 -1.031) 6.136 14.318 ( 6.814 0.078 -0.010) 6.815 14.383 ( 4.144 0.244 -3.641) 5.522 14.479 ( 8.648 5.454 3.088) 10.680 14.651 ( -1.239 -6.886 12.793) 14.581 14.765 ( -1.666 -0.770 -0.080) 1.838 15.086 ( 5.467 -3.118 -0.581) 6.320 15.444 ( -10.902 -1.952 -2.333) 11.318 16.660 ( 0.184 2.680 -3.977) 4.800 16.725 ( -1.100 -0.904 4.532) 4.750 19.630 ( -0.636 0.536 4.543) 4.618 19.775 ( -0.193 1.903 -7.061) 7.315 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 5.951 -9.746 -4.621) 12.319 1.601 ( 1.015 3.870 -2.035) 4.489 1.711 ( 14.460 -4.986 1.797) 15.401 1.805 ( -0.746 1.570 8.030) 8.216 1.838 ( -5.521 -2.847 -2.553) 6.716 1.941 ( 2.271 -6.371 3.269) 7.512 2.212 ( 2.342 -3.530 -0.528) 4.269 2.337 ( -5.304 3.819 -0.902) 6.598 2.361 ( 0.634 1.335 -2.579) 2.972 2.396 ( -2.138 -1.027 -1.766) 2.957 2.474 ( 2.645 -1.274 2.145) 3.636 2.560 ( -4.026 3.264 -2.296) 5.669 2.728 ( 1.849 -2.999 -2.847) 4.530 2.816 ( -0.774 3.199 4.132) 5.283 2.924 ( -1.433 -4.605 2.343) 5.362 3.107 ( -0.773 -5.721 -4.881) 7.560 3.186 ( -0.901 1.646 -0.913) 2.087 3.273 ( 0.531 2.353 2.873) 3.751 3.567 ( -0.439 7.193 8.029) 10.789 3.632 ( -1.360 0.333 -1.518) 2.065 3.725 ( 4.035 2.312 1.467) 4.877 3.810 ( 3.919 0.571 0.862) 4.053 3.879 ( -0.843 -2.292 -7.670) 8.050 4.097 ( -0.490 3.486 1.720) 3.917 4.504 ( -3.566 1.140 -3.368) 5.036 4.694 ( 2.395 -0.719 4.260) 4.940 4.780 ( 4.023 0.270 -1.457) 4.287 4.936 ( 2.833 0.135 -0.738) 2.930 5.234 ( 8.681 2.549 -4.342) 10.036 5.388 ( -0.159 1.452 1.009) 1.776 5.513 ( -5.610 -3.412 1.567) 6.750 5.578 ( 4.426 1.324 -10.923) 11.860 6.100 ( -1.708 7.084 9.985) 12.361 6.350 ( 0.111 -0.718 4.279) 4.341 6.472 ( 6.221 -6.152 -8.530) 12.219 6.710 ( 0.824 -4.019 3.234) 5.225 6.904 ( 8.493 0.175 3.998) 9.388 7.037 ( 6.476 -0.824 -1.090) 6.619 7.054 ( 4.567 -3.771 5.728) 8.239 7.304 ( -2.676 6.023 -1.472) 6.753 7.499 ( 7.664 5.507 0.016) 9.437 7.704 ( 10.058 -0.432 2.395) 10.348 8.131 ( -2.115 3.336 -6.769) 7.837 8.157 ( 8.676 5.277 -9.623) 13.989 8.288 ( -13.598 1.557 6.655) 15.218 8.513 ( -1.913 -5.563 -9.956) 11.564 8.660 ( 10.225 1.845 2.665) 10.726 8.788 ( -20.698 1.409 6.024) 21.602 9.103 ( -21.922 -6.804 4.879) 23.466 9.549 ( -4.260 9.941 -0.946) 10.856 9.872 ( 15.198 -3.212 7.095) 17.077 10.416 ( 0.503 -4.638 -3.584) 5.882 10.500 ( 2.925 -4.100 -3.134) 5.932 10.646 ( -4.342 7.781 4.176) 9.840 10.861 ( 0.814 -3.352 9.053) 9.688 11.126 ( 9.156 5.089 -12.414) 16.244 12.225 ( -3.846 2.638 -7.933) 9.203 12.331 ( 5.470 9.653 2.806) 11.444 12.606 ( -1.972 -6.173 5.802) 8.698 12.936 ( 4.697 -4.640 -4.967) 8.262 14.267 ( -1.108 -6.592 -2.274) 7.060 14.374 ( 0.492 -0.542 -0.066) 0.735 14.476 ( 6.673 2.514 2.255) 7.479 14.534 ( 2.516 4.682 3.140) 6.174 14.699 ( 2.008 -0.037 7.718) 7.975 14.780 ( 2.528 -2.215 -3.334) 4.734 15.161 ( -0.413 -4.829 -1.785) 5.165 15.332 ( -4.115 -2.428 -0.938) 4.869 16.628 ( -0.929 2.005 -2.031) 3.002 16.709 ( -1.672 -0.406 1.813) 2.499 19.619 ( -0.550 0.526 2.367) 2.486 19.747 ( -0.725 1.501 -2.930) 3.371 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.734 -3.944 0.299) 4.023 1.609 ( 2.980 -0.401 -3.946) 4.961 1.704 ( -5.019 2.388 3.802) 6.734 1.819 ( -0.348 -2.678 -1.712) 3.198 1.977 ( 9.588 -5.893 -0.946) 11.294 2.089 ( 4.388 -3.503 4.331) 7.091 2.180 ( -4.478 0.690 -1.765) 4.862 2.287 ( 3.896 -1.713 -1.600) 4.546 2.333 ( -1.408 4.091 -0.885) 4.416 2.408 ( 1.024 -0.209 -1.631) 1.937 2.447 ( -2.746 5.694 -1.293) 6.452 2.544 ( 1.566 -0.164 2.557) 3.003 2.758 ( 0.792 3.692 4.110) 5.581 2.843 ( 0.526 -12.105 -2.279) 12.329 2.957 ( -1.426 -6.734 3.051) 7.529 3.126 ( 1.534 4.089 -4.555) 6.310 3.191 ( -0.394 -7.783 -2.407) 8.156 3.242 ( -0.971 4.173 3.417) 5.480 3.500 ( -1.119 11.341 7.318) 13.544 3.552 ( -3.943 1.643 -3.187) 5.329 3.764 ( 1.387 1.461 0.462) 2.067 3.872 ( 2.274 0.123 1.765) 2.881 3.909 ( 3.581 -1.634 -5.374) 6.661 4.050 ( -0.536 4.279 0.602) 4.354 4.447 ( -2.321 -0.552 -2.760) 3.649 4.711 ( -1.804 -1.290 3.407) 4.065 4.828 ( 1.144 0.131 0.080) 1.155 4.959 ( 2.726 3.368 -0.347) 4.346 5.319 ( 2.139 0.030 -4.876) 5.325 5.348 ( -5.038 0.853 4.995) 7.146 5.472 ( -1.021 -3.553 2.017) 4.212 5.633 ( 2.791 -0.204 -7.838) 8.323 5.979 ( -6.172 4.904 3.685) 8.701 6.320 ( 0.909 1.327 1.181) 1.995 6.667 ( 2.797 -8.666 -2.368) 9.409 6.760 ( 0.704 -4.611 -1.840) 5.014 6.992 ( -1.045 -0.653 -2.374) 2.675 7.052 ( -3.336 0.259 7.047) 7.801 7.153 ( 0.977 2.128 0.842) 2.489 7.202 ( -1.443 1.058 -1.728) 2.487 7.551 ( 4.381 7.261 -1.856) 8.681 7.811 ( -5.533 0.112 3.597) 6.600 7.997 ( -7.502 -1.544 5.140) 9.224 8.073 ( 0.427 0.736 -8.272) 8.315 8.295 ( 0.965 2.610 -5.954) 6.572 8.409 ( -9.537 0.603 11.361) 14.846 8.562 ( -0.169 -4.438 -4.799) 6.539 8.812 ( 4.847 2.991 -5.133) 7.668 8.922 ( -7.805 -10.488 8.655) 15.679 9.475 ( 7.948 11.082 -7.028) 15.342 10.126 ( 9.404 -5.906 2.948) 11.490 10.354 ( -9.308 3.341 -2.579) 10.220 10.410 ( -13.052 -7.709 7.312) 16.831 10.598 ( -0.426 1.836 0.462) 1.941 10.975 ( 4.311 -4.768 9.255) 11.269 11.203 ( 8.828 10.602 -10.651) 17.429 12.046 ( -14.055 -4.668 -10.753) 18.302 12.380 ( 5.982 7.661 3.505) 10.333 12.612 ( -3.218 -5.480 9.395) 11.342 13.058 ( 7.657 1.798 -7.026) 10.547 14.302 ( -0.833 -5.627 -2.717) 6.304 14.357 ( -2.977 -0.555 1.116) 3.227 14.508 ( -1.649 1.020 3.748) 4.219 14.544 ( 3.599 4.395 3.691) 6.774 14.732 ( 3.915 4.207 -1.570) 5.957 14.868 ( 6.614 0.989 -0.148) 6.689 15.182 ( -1.571 -6.332 -2.527) 6.996 15.336 ( 2.807 0.204 1.332) 3.113 16.591 ( -2.121 0.334 -0.052) 2.148 16.684 ( -2.012 -1.177 -0.231) 2.342 19.606 ( -0.711 0.093 0.396) 0.819 19.719 ( -1.498 0.371 -0.468) 1.612 ======================= Grid point 16 (11/117) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.517 -3.366 2.873) 4.678 1.615 ( -1.245 2.701 5.270) 6.051 1.696 ( 3.504 -1.826 -6.873) 7.928 1.838 ( 1.063 0.919 -6.672) 6.819 2.079 ( -2.727 5.657 5.510) 8.355 2.137 ( -1.462 -6.720 -0.921) 6.939 2.173 ( 5.665 0.389 -2.385) 6.159 2.232 ( -0.408 4.477 -0.219) 4.501 2.384 ( -0.246 3.288 0.474) 3.331 2.421 ( 1.008 0.111 0.968) 1.402 2.436 ( 6.772 -2.402 -0.807) 7.231 2.555 ( 2.245 1.174 0.082) 2.535 2.753 ( 0.806 2.630 3.195) 4.215 2.961 ( 1.027 -8.380 0.617) 8.465 2.991 ( -3.041 -11.849 0.889) 12.266 3.116 ( 2.264 6.146 -4.068) 7.711 3.206 ( 0.584 1.536 1.921) 2.528 3.218 ( -5.480 0.778 2.093) 5.918 3.327 ( -3.641 6.022 -0.962) 7.103 3.521 ( -0.333 0.117 -0.224) 0.418 3.742 ( -1.567 2.297 0.395) 2.809 3.892 ( 0.846 1.290 0.556) 1.640 3.979 ( 3.522 0.479 -3.151) 4.750 4.010 ( -0.223 3.782 0.371) 3.806 4.432 ( -1.118 -2.818 -0.395) 3.058 4.677 ( -3.809 -1.677 0.243) 4.169 4.803 ( -3.249 1.538 1.801) 4.020 4.972 ( 1.426 3.530 -1.385) 4.052 5.208 ( -10.625 -0.775 6.264) 12.358 5.320 ( -1.678 -1.939 -0.508) 2.615 5.494 ( -1.639 -1.939 0.727) 2.641 5.663 ( 2.739 2.210 -3.151) 4.724 5.856 ( -6.179 -3.210 -2.835) 7.519 6.372 ( 4.639 1.066 0.060) 4.760 6.623 ( -11.947 -0.914 3.397) 12.454 6.772 ( -4.164 -3.014 -3.098) 6.001 6.917 ( -5.924 -5.579 -9.582) 12.571 6.941 ( -9.257 1.220 -0.955) 9.386 7.128 ( -1.224 0.972 3.640) 3.962 7.177 ( -4.285 -0.399 -0.836) 4.384 7.493 ( -3.549 6.878 -3.271) 8.403 7.612 ( -10.213 -4.324 8.256) 13.826 8.019 ( -17.966 -2.387 -0.993) 18.151 8.033 ( 3.185 -1.180 9.878) 10.445 8.177 ( 6.190 -4.796 -2.792) 8.314 8.470 ( -4.639 -5.996 3.760) 8.462 8.658 ( 7.700 -6.965 -2.817) 10.758 8.795 ( 3.502 8.255 -7.643) 11.783 9.022 ( 9.067 -5.134 6.201) 12.125 9.611 ( 17.728 8.551 -9.910) 22.037 10.088 ( -13.626 8.037 -2.188) 15.970 10.247 ( -17.338 -13.151 2.191) 21.871 10.303 ( 0.930 -9.310 7.196) 11.804 10.558 ( -1.348 2.029 1.950) 3.120 11.035 ( -2.728 -3.136 8.419) 9.389 11.208 ( 4.977 13.868 -8.579) 17.049 11.854 ( -12.752 -7.537 -9.238) 17.458 12.376 ( -4.210 -2.857 1.684) 5.359 12.641 ( 3.400 0.849 10.656) 11.217 13.130 ( 5.969 7.004 -7.068) 11.603 14.291 ( -5.637 -2.376 2.600) 6.647 14.330 ( -1.468 -4.417 -3.030) 5.553 14.468 ( -1.013 3.186 -1.470) 3.652 14.537 ( -0.925 3.008 7.499) 8.132 14.764 ( 5.004 4.996 -5.043) 8.685 14.968 ( 7.389 4.144 0.950) 8.524 15.224 ( 1.475 -3.555 -2.567) 4.626 15.414 ( 7.751 3.039 2.571) 8.713 16.551 ( -3.422 -1.808 2.060) 4.384 16.668 ( -1.686 -2.913 -2.379) 4.122 19.595 ( -0.837 -0.610 -1.282) 1.648 19.689 ( -2.487 -1.201 1.468) 3.127 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -9.101 0.871 0.946) 9.192 1.627 ( 1.851 6.677 3.132) 7.604 1.680 ( -6.029 6.494 -3.394) 9.489 1.766 ( 0.340 0.873 -6.001) 6.074 2.044 ( 3.073 3.549 3.749) 6.008 2.132 ( 2.349 0.793 0.109) 2.481 2.249 ( 4.365 0.433 -3.361) 5.526 2.286 ( 0.704 -1.934 -0.157) 2.064 2.356 ( 1.773 1.743 1.957) 3.164 2.446 ( 2.503 -0.471 2.466) 3.545 2.507 ( -0.493 3.883 -0.087) 3.915 2.639 ( 6.717 -0.506 -2.101) 7.056 2.732 ( 0.096 2.227 0.422) 2.269 2.929 ( -7.618 12.536 4.401) 15.315 3.028 ( 0.164 -5.168 2.250) 5.639 3.075 ( -2.447 -8.650 -3.251) 9.559 3.120 ( 2.402 2.984 1.218) 4.020 3.259 ( 2.577 -3.953 0.561) 4.752 3.318 ( -1.815 -6.688 -2.784) 7.468 3.523 ( 0.846 0.377 -1.022) 1.379 3.691 ( -1.921 2.020 0.504) 2.833 3.837 ( -4.471 5.605 -0.958) 7.234 3.991 ( 1.514 2.209 2.215) 3.476 4.024 ( 1.705 -0.971 -2.861) 3.470 4.427 ( -4.632 -4.103 -0.632) 6.220 4.604 ( -6.453 -1.632 0.127) 6.658 4.718 ( -4.292 0.877 2.596) 5.092 4.903 ( -6.729 2.329 -1.803) 7.346 5.055 ( -8.102 -0.984 5.030) 9.587 5.306 ( -2.996 -1.857 2.183) 4.146 5.459 ( -1.397 -1.460 5.363) 5.731 5.711 ( 6.018 3.538 -1.910) 7.237 5.797 ( -9.078 -9.924 -10.249) 16.910 6.298 ( -11.767 -0.566 0.642) 11.798 6.526 ( 0.091 1.874 4.626) 4.992 6.662 ( -8.000 -0.693 -4.878) 9.395 6.727 ( -11.490 1.981 -3.587) 12.199 6.915 ( -7.509 -11.164 -8.358) 15.839 6.982 ( -6.817 2.772 3.629) 8.205 7.176 ( -0.192 -3.400 2.199) 4.053 7.360 ( -6.144 2.647 -1.345) 6.824 7.564 ( -1.065 -0.180 4.985) 5.101 7.754 ( -15.228 -6.144 -2.626) 16.629 8.137 ( 2.902 -3.440 11.202) 12.072 8.314 ( 4.571 -4.678 1.619) 6.737 8.364 ( -10.488 -6.349 -3.084) 12.642 8.692 ( -3.389 -1.588 -1.769) 4.139 8.981 ( 13.457 -4.822 2.611) 14.531 9.279 ( 16.108 -0.486 -5.550) 17.044 9.758 ( -15.476 8.676 -5.699) 18.635 9.820 ( 6.926 -0.830 -0.940) 7.038 10.078 ( -9.009 -6.498 -0.892) 11.144 10.292 ( -12.458 -8.203 6.627) 16.321 10.611 ( 8.892 -1.268 1.827) 9.166 10.981 ( -5.982 -2.047 9.379) 11.311 11.103 ( -3.656 9.188 -10.094) 14.130 11.744 ( -6.297 -4.914 -5.049) 9.450 12.306 ( -8.601 -6.557 0.360) 10.821 12.722 ( 6.719 3.162 9.858) 12.341 13.129 ( 3.424 9.134 -6.167) 11.541 14.211 ( -7.476 -4.205 3.056) 9.106 14.321 ( -2.970 -2.146 -2.509) 4.441 14.416 ( -0.728 4.600 -2.640) 5.353 14.488 ( -2.257 2.831 6.226) 7.202 14.801 ( 4.817 4.793 -5.411) 8.686 15.034 ( 4.501 5.468 1.837) 7.317 15.282 ( 5.878 3.546 -3.796) 7.844 15.552 ( 12.183 4.593 3.222) 13.413 16.516 ( -3.952 -4.289 3.921) 7.028 16.679 ( -0.214 -4.305 -4.544) 6.263 19.588 ( -0.659 -1.412 -2.864) 3.260 19.657 ( -3.822 -3.109 3.776) 6.208 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -15.296 9.194 -2.366) 18.003 1.279 ( -16.985 16.322 -0.614) 23.564 1.728 ( -2.992 5.768 -7.923) 10.247 1.776 ( 7.741 2.362 9.313) 12.338 2.011 ( -1.926 11.775 -4.330) 12.692 2.132 ( -8.567 10.821 4.798) 14.612 2.216 ( 3.484 8.491 1.578) 9.312 2.334 ( 3.553 -2.290 -5.291) 6.772 2.366 ( 0.654 1.167 0.435) 1.407 2.408 ( -0.300 -4.655 0.237) 4.670 2.555 ( 8.148 -1.073 1.590) 8.371 2.705 ( 1.941 -0.214 -0.066) 1.954 2.788 ( 0.514 -2.070 -0.578) 2.210 2.839 ( 6.519 1.860 4.076) 7.911 3.052 ( -0.766 -2.540 -1.519) 3.057 3.094 ( -3.327 -7.250 -1.567) 8.129 3.183 ( 5.879 1.003 1.067) 6.059 3.340 ( 1.376 -5.535 1.654) 5.939 3.378 ( 1.821 -8.049 -1.441) 8.377 3.533 ( 1.004 1.745 -1.961) 2.811 3.650 ( -2.088 -0.527 -0.061) 2.154 3.683 ( -6.725 5.041 1.969) 8.632 3.983 ( -1.804 0.924 -2.143) 2.950 4.040 ( 0.446 1.541 1.099) 1.944 4.321 ( -11.375 -5.442 -3.606) 13.115 4.536 ( -3.315 -4.273 3.325) 6.349 4.667 ( -2.837 -0.772 4.247) 5.165 4.722 ( -11.727 -0.241 -1.994) 11.897 4.972 ( -1.755 1.509 2.265) 3.238 5.255 ( -3.898 -0.204 2.306) 4.534 5.511 ( 2.898 -0.897 11.863) 12.245 5.657 ( -13.473 -9.718 -8.008) 18.442 5.790 ( 4.979 0.918 -13.119) 14.062 6.170 ( -5.595 -4.819 0.371) 7.393 6.443 ( -7.631 2.130 9.221) 12.157 6.464 ( -12.600 -0.695 -3.952) 13.224 6.566 ( -10.363 0.663 -4.785) 11.434 6.776 ( -7.704 -4.062 -1.999) 8.936 6.985 ( -3.041 -3.547 -0.721) 4.728 7.207 ( -0.072 -4.439 0.027) 4.439 7.262 ( -4.004 -2.706 2.235) 5.324 7.525 ( -0.284 3.387 -4.270) 5.458 7.683 ( 2.358 -3.271 -1.170) 4.199 8.124 ( -5.894 0.611 11.407) 12.854 8.327 ( -1.061 -9.502 -3.088) 10.048 8.401 ( 0.902 0.326 -1.363) 1.666 8.693 ( -0.892 -8.409 4.244) 9.462 9.156 ( -3.339 -3.422 2.427) 5.361 9.411 ( -2.525 0.760 -6.234) 6.769 9.486 ( -6.584 0.023 -9.517) 11.572 9.861 ( -4.360 -13.889 5.912) 15.712 10.056 ( -1.889 2.070 -6.908) 7.455 10.148 ( -4.877 -0.502 10.829) 11.887 10.802 ( 1.863 -7.362 -6.513) 10.005 10.880 ( -6.186 1.998 6.798) 9.406 11.042 ( 8.618 -0.992 -1.051) 8.738 11.692 ( -2.085 0.547 -3.760) 4.334 12.203 ( -9.562 -4.673 0.245) 10.645 12.823 ( 7.207 3.138 7.307) 10.732 13.095 ( 2.355 7.473 -4.275) 8.926 14.111 ( -8.710 -3.294 3.508) 9.951 14.264 ( -4.250 0.277 -1.859) 4.647 14.358 ( -2.322 2.315 -1.138) 3.471 14.430 ( -0.891 4.912 2.494) 5.581 14.831 ( 3.619 3.818 -4.346) 6.823 15.007 ( -1.871 6.179 2.214) 6.825 15.380 ( 14.576 11.173 -5.269) 19.107 15.754 ( 16.200 5.044 3.541) 17.333 16.497 ( -4.552 -6.076 5.308) 9.264 16.729 ( 2.846 -3.634 -8.303) 9.499 19.594 ( -0.259 -2.237 -3.691) 4.324 19.616 ( -6.097 -5.231 7.037) 10.680 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -18.405 14.350 -2.938) 23.523 0.829 ( -16.041 20.466 1.685) 26.057 1.418 ( -11.520 38.635 0.480) 40.318 1.690 ( -7.142 4.658 -3.618) 9.263 1.939 ( 3.586 3.737 -3.721) 6.377 1.973 ( -0.513 6.984 5.424) 8.858 2.235 ( 1.312 2.743 1.989) 3.633 2.373 ( 3.140 -0.871 -1.676) 3.664 2.435 ( -0.314 -5.222 -1.102) 5.346 2.499 ( 6.389 -4.441 0.188) 7.783 2.671 ( 2.528 0.742 1.715) 3.143 2.726 ( -0.634 -1.445 -0.052) 1.579 2.825 ( 2.549 -1.749 -0.105) 3.094 2.930 ( 3.522 2.400 0.283) 4.272 3.082 ( -0.561 -4.770 -1.638) 5.075 3.123 ( 3.231 -3.485 3.291) 5.781 3.272 ( 5.586 0.914 -3.608) 6.713 3.408 ( -0.130 -5.608 3.678) 6.708 3.466 ( 0.026 -4.657 -0.019) 4.657 3.511 ( -1.541 -0.453 -3.848) 4.170 3.567 ( -1.475 3.254 4.668) 5.878 3.648 ( -0.225 -4.072 0.098) 4.080 3.902 ( -5.808 -0.071 -3.370) 6.715 4.042 ( 1.690 2.130 1.773) 3.245 4.170 ( -12.685 -7.395 -3.238) 15.036 4.508 ( -5.878 -0.426 2.594) 6.439 4.606 ( -3.373 -7.311 -0.876) 8.099 4.640 ( 0.327 1.233 4.213) 4.402 4.954 ( 0.728 1.959 -0.791) 2.235 5.159 ( -8.629 -1.060 -0.938) 8.744 5.457 ( -6.280 -1.061 1.639) 6.576 5.674 ( 3.853 -6.431 11.377) 13.625 5.839 ( 3.019 0.511 -21.815) 22.029 6.162 ( -1.793 -6.260 3.182) 7.247 6.225 ( -11.523 0.926 -1.159) 11.618 6.359 ( -7.559 -4.957 0.991) 9.094 6.385 ( -6.728 0.513 -0.290) 6.754 6.696 ( -5.964 -2.811 0.221) 6.597 6.864 ( -11.164 -0.881 0.802) 11.227 7.240 ( -2.223 -8.219 0.005) 8.514 7.292 ( 3.344 -0.883 -0.144) 3.461 7.610 ( 15.624 3.843 -6.956) 17.529 7.824 ( 15.438 6.700 2.167) 16.968 8.076 ( 1.093 0.472 6.663) 6.768 8.296 ( -8.492 -5.741 -2.441) 10.537 8.440 ( -0.808 -5.697 -1.254) 5.889 8.755 ( -0.936 -5.994 7.640) 9.756 8.936 ( -15.905 0.640 -10.217) 18.915 9.329 ( -18.313 -8.643 -12.474) 23.783 9.420 ( -2.821 -4.895 8.535) 10.235 9.755 ( -12.244 -1.470 15.535) 19.835 10.106 ( -1.192 3.310 2.516) 4.325 10.154 ( 5.751 -11.614 -13.804) 18.934 10.709 ( -3.813 0.935 -7.585) 8.541 10.870 ( -6.673 -9.959 15.163) 19.329 11.338 ( 18.231 -0.973 -4.041) 18.699 11.665 ( 2.709 3.144 -2.715) 4.960 12.053 ( -11.335 -0.958 0.741) 11.399 12.915 ( 5.712 2.967 3.461) 7.308 13.088 ( 2.976 3.489 -1.591) 4.854 13.987 ( -7.596 -0.581 3.192) 8.260 14.174 ( -4.627 2.128 -1.114) 5.213 14.306 ( -2.096 -0.079 -0.378) 2.132 14.378 ( -0.164 5.129 0.438) 5.151 14.843 ( 1.384 3.442 -1.360) 3.951 14.897 ( -3.050 6.637 0.510) 7.323 15.591 ( 22.530 11.357 -4.133) 25.567 16.014 ( 18.213 4.583 4.491) 19.310 16.464 ( -6.077 -5.551 5.416) 9.853 16.840 ( 11.240 0.278 -16.992) 20.375 19.533 ( -11.884 -7.174 12.508) 18.685 19.615 ( 0.372 -2.528 -3.379) 4.237 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -0.000 20.624 -0.000) 20.624 0.456 ( -0.000 25.754 -0.000) 25.754 0.891 ( -0.000 49.856 -0.000) 49.856 1.599 ( -0.000 1.791 -0.000) 1.791 1.856 ( -0.000 8.915 -0.000) 8.915 1.999 ( -0.000 0.178 -0.000) 0.178 2.227 ( -0.000 1.444 -0.000) 1.444 2.419 ( -0.000 0.278 -0.000) 0.278 2.480 ( 0.000 -8.566 0.000) 8.566 2.635 ( 0.000 -4.025 0.000) 4.025 2.646 ( 0.000 -0.660 0.000) 0.660 2.710 ( -0.000 1.187 -0.000) 1.187 2.826 ( -0.000 4.174 -0.000) 4.174 2.952 ( -0.000 1.264 -0.000) 1.264 3.105 ( 0.000 -3.071 0.000) 3.071 3.193 ( 0.000 -1.244 0.000) 1.244 3.351 ( -0.000 3.332 -0.000) 3.332 3.383 ( -0.000 0.339 -0.000) 0.339 3.507 ( 0.000 -0.828 0.000) 0.828 3.519 ( 0.000 -9.649 0.000) 9.649 3.568 ( 0.000 -1.635 0.000) 1.635 3.701 ( 0.000 -3.239 0.000) 3.239 3.829 ( 0.000 -1.074 0.000) 1.074 4.014 ( -0.000 1.249 -0.000) 1.249 4.049 ( -0.000 1.713 -0.000) 1.713 4.449 ( -0.000 0.402 -0.000) 0.402 4.637 ( -0.000 2.499 -0.000) 2.499 4.639 ( 0.000 -6.019 0.000) 6.019 4.951 ( -0.000 0.947 -0.000) 0.947 5.073 ( 0.000 -4.695 0.000) 4.695 5.395 ( -0.000 3.643 -0.000) 3.643 5.816 ( 0.000 -5.668 0.000) 5.668 5.823 ( -0.000 0.518 -0.000) 0.518 6.080 ( -0.000 3.241 -0.000) 3.241 6.240 ( 0.000 -8.880 0.000) 8.880 6.313 ( 0.000 -7.852 0.000) 7.852 6.335 ( -0.000 2.696 -0.000) 2.696 6.646 ( 0.000 -0.905 0.000) 0.905 6.738 ( -0.000 1.717 -0.000) 1.717 7.286 ( 0.000 -5.919 0.000) 5.919 7.332 ( 0.000 -0.656 0.000) 0.656 7.778 ( -0.000 2.203 -0.000) 2.203 8.126 ( 0.000 -1.391 0.000) 1.391 8.196 ( 0.000 -7.719 0.000) 7.719 8.351 ( 0.000 -1.476 0.000) 1.476 8.367 ( 0.000 -5.166 0.000) 5.166 8.578 ( 0.000 -6.912 0.000) 6.912 8.842 ( -0.000 4.369 -0.000) 4.369 8.936 ( -0.000 7.504 -0.000) 7.504 9.430 ( 0.000 -1.244 0.000) 1.244 9.653 ( -0.000 2.393 -0.000) 2.393 10.055 ( -0.000 3.953 -0.000) 3.953 10.308 ( 0.000 -12.581 0.000) 12.581 10.689 ( -0.000 2.919 -0.000) 2.919 10.864 ( 0.000 -8.472 0.000) 8.472 11.499 ( 0.000 -0.663 0.000) 0.663 11.779 ( 0.000 -1.231 0.000) 1.231 11.856 ( -0.000 4.091 -0.000) 4.091 12.949 ( -0.000 2.204 -0.000) 2.204 13.108 ( -0.000 0.994 -0.000) 0.994 13.909 ( -0.000 0.741 -0.000) 0.741 14.100 ( -0.000 3.085 -0.000) 3.085 14.294 ( 0.000 -1.234 0.000) 1.234 14.340 ( -0.000 3.176 -0.000) 3.176 14.786 ( -0.000 6.409 -0.000) 6.409 14.854 ( -0.000 1.576 -0.000) 1.576 15.829 ( 0.000 -0.956 0.000) 0.956 16.210 ( 0.000 -1.203 0.000) 1.203 16.438 ( 0.000 -3.384 0.000) 3.384 17.080 ( 0.000 -5.324 0.000) 5.324 19.378 ( -0.000 0.289 -0.000) 0.289 19.639 ( 0.000 -2.176 0.000) 2.176 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 8.939 -0.000 -3.940) 9.769 1.654 ( 11.772 -0.000 -6.614) 13.503 1.655 ( 1.979 -0.000 1.034) 2.233 1.787 ( -0.161 0.000 10.785) 10.786 1.862 ( -3.552 0.000 -1.170) 3.739 1.864 ( 2.439 -0.000 4.296) 4.941 2.171 ( 4.991 -0.000 -0.498) 5.015 2.364 ( 3.166 -0.000 -1.921) 3.703 2.375 ( -5.210 0.000 1.217) 5.351 2.390 ( -5.883 0.000 -2.936) 6.575 2.478 ( 2.471 -0.000 -1.439) 2.859 2.577 ( -3.001 0.000 -2.303) 3.783 2.715 ( -0.678 0.000 -2.288) 2.386 2.877 ( -1.573 0.000 2.968) 3.358 2.879 ( 1.006 -0.000 5.370) 5.463 3.012 ( -3.106 0.000 -3.337) 4.559 3.220 ( 0.381 -0.000 -1.579) 1.624 3.290 ( 0.558 -0.000 2.677) 2.735 3.616 ( 0.288 -0.000 -1.360) 1.390 3.637 ( -4.098 0.000 7.947) 8.941 3.765 ( 3.944 -0.000 -3.111) 5.024 3.784 ( 3.852 -0.000 6.598) 7.640 3.886 ( 0.739 -0.000 -9.997) 10.025 4.129 ( 0.077 -0.000 1.316) 1.318 4.515 ( -4.667 0.000 -4.095) 6.209 4.686 ( 1.817 -0.000 5.317) 5.619 4.785 ( 3.442 -0.000 -1.011) 3.587 4.935 ( 5.032 -0.000 -2.469) 5.605 5.269 ( 9.034 -0.000 -2.776) 9.451 5.403 ( -0.644 0.000 0.371) 0.744 5.477 ( -5.836 0.000 0.174) 5.839 5.589 ( 2.230 -0.000 -11.140) 11.361 6.185 ( -4.084 0.000 14.373) 14.942 6.324 ( 12.428 -0.000 -2.309) 12.640 6.410 ( -5.092 0.000 -5.394) 7.417 6.673 ( 0.312 -0.000 3.193) 3.208 6.903 ( 6.895 -0.000 8.517) 10.958 7.016 ( 4.195 -0.000 -3.657) 5.565 7.030 ( 10.144 -0.000 3.443) 10.712 7.377 ( -3.379 0.000 -1.001) 3.524 7.539 ( 6.528 -0.000 -7.302) 9.795 7.700 ( 12.174 -0.000 14.177) 18.686 8.168 ( -5.944 0.000 -6.465) 8.782 8.214 ( 12.452 -0.000 -9.890) 15.901 8.314 ( -18.982 0.000 3.314) 19.269 8.437 ( 2.529 -0.000 -14.478) 14.697 8.680 ( 11.590 -0.000 0.817) 11.619 8.803 ( -19.139 0.000 7.243) 20.464 9.020 ( -29.447 0.000 8.660) 30.694 9.672 ( -2.430 0.000 -2.180) 3.265 9.836 ( 13.965 -0.000 11.762) 18.258 10.352 ( -3.001 0.000 -3.801) 4.843 10.460 ( 6.730 -0.000 -1.372) 6.868 10.747 ( -0.655 0.000 3.238) 3.304 10.799 ( -6.240 0.000 4.992) 7.991 11.187 ( 11.927 -0.000 -11.381) 16.486 12.231 ( -10.375 0.000 -10.139) 14.507 12.429 ( -1.000 0.000 4.944) 5.044 12.606 ( 9.943 -0.000 1.978) 10.138 12.842 ( 4.107 -0.000 -2.829) 4.987 14.192 ( -0.336 0.000 0.027) 0.337 14.372 ( 1.280 -0.000 0.174) 1.292 14.507 ( 7.951 -0.000 1.152) 8.034 14.588 ( -3.461 0.000 9.773) 10.367 14.692 ( 11.007 -0.000 1.888) 11.168 14.771 ( 2.931 -0.000 -3.358) 4.457 15.105 ( -2.437 0.000 -2.663) 3.610 15.307 ( -2.794 0.000 -0.696) 2.880 16.649 ( -2.114 0.000 -1.680) 2.701 16.702 ( -1.700 0.000 1.369) 2.183 19.623 ( -0.803 0.000 2.577) 2.699 19.762 ( -1.467 0.000 -3.226) 3.544 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 2.053 -4.096 -1.052) 4.701 1.635 ( -1.287 2.759 -2.724) 4.085 1.718 ( -1.297 -2.631 4.341) 5.239 1.744 ( -1.686 -2.039 -3.236) 4.180 1.948 ( 8.804 1.375 -1.872) 9.105 2.024 ( 9.352 -3.243 7.722) 12.554 2.196 ( -6.336 0.894 -3.680) 7.381 2.248 ( 3.286 -1.966 -1.405) 4.079 2.399 ( 1.012 2.146 1.617) 2.871 2.422 ( 3.149 1.218 -4.006) 5.239 2.505 ( 0.135 1.679 1.658) 2.364 2.546 ( 0.589 -0.529 -1.000) 1.275 2.696 ( -2.157 -3.368 -2.902) 4.942 2.852 ( -0.312 5.768 4.709) 7.452 2.870 ( -1.498 -2.978 3.324) 4.707 3.030 ( 0.234 -7.942 -3.416) 8.649 3.206 ( -0.144 3.167 -0.288) 3.183 3.292 ( -0.346 0.987 4.588) 4.706 3.548 ( -5.250 0.407 1.264) 5.415 3.606 ( -2.054 0.204 -0.227) 2.076 3.824 ( 2.842 3.343 0.277) 4.396 3.858 ( 3.154 -0.522 4.241) 5.311 3.915 ( 5.813 0.900 -7.367) 9.427 4.112 ( -0.759 2.188 -0.346) 2.342 4.438 ( -3.680 -0.278 -4.370) 5.720 4.692 ( -2.109 -0.708 5.603) 6.028 4.831 ( 1.729 0.088 0.139) 1.737 5.008 ( 4.515 1.681 -0.866) 4.895 5.336 ( -3.268 1.693 -0.713) 3.749 5.356 ( -6.014 -0.117 4.323) 7.408 5.422 ( 3.146 -1.765 -2.149) 4.199 5.613 ( 0.975 -1.364 -10.017) 10.156 6.073 ( -7.869 4.262 7.348) 11.579 6.350 ( 1.016 2.105 -1.280) 2.665 6.499 ( 1.502 -8.060 -0.711) 8.230 6.707 ( 3.010 -1.468 -4.878) 5.917 6.991 ( 0.599 0.456 4.837) 4.896 7.024 ( -3.784 -1.950 2.348) 4.861 7.172 ( 5.414 0.167 2.040) 5.788 7.258 ( -7.242 3.250 -3.030) 8.497 7.639 ( 5.759 1.809 -5.648) 8.266 7.850 ( -6.274 4.576 9.163) 12.011 7.941 ( -12.003 -4.579 7.894) 15.078 8.093 ( -1.142 0.974 -11.283) 11.382 8.362 ( -1.741 4.764 -7.638) 9.169 8.444 ( -4.495 -0.246 4.473) 6.346 8.496 ( -9.584 1.099 0.744) 9.676 8.670 ( -7.512 -11.803 0.168) 13.992 8.900 ( 10.320 1.677 0.605) 10.473 9.664 ( 6.929 8.447 -4.619) 11.861 10.026 ( 4.540 -5.167 2.901) 7.465 10.249 ( -11.096 -4.641 9.998) 15.640 10.440 ( -7.077 1.851 0.604) 7.340 10.667 ( -3.120 5.631 1.126) 6.536 10.857 ( 4.099 -7.210 3.392) 8.960 11.360 ( 11.128 5.429 -9.460) 15.582 11.998 ( -14.685 -0.996 -11.261) 18.532 12.349 ( -9.744 -4.661 6.729) 12.726 12.731 ( 10.749 12.328 3.822) 16.796 12.997 ( 7.792 -7.746 -5.361) 12.225 14.207 ( 0.027 -3.494 -0.639) 3.552 14.368 ( -2.090 0.780 2.870) 3.635 14.520 ( -3.013 0.480 8.424) 8.959 14.635 ( 7.433 4.355 -1.775) 8.796 14.818 ( 5.348 4.843 -2.730) 7.715 14.870 ( 7.871 -0.477 -0.157) 7.887 15.049 ( -4.449 -7.243 -3.191) 9.079 15.340 ( 5.637 0.185 1.736) 5.901 16.597 ( -3.566 0.268 0.251) 3.584 16.664 ( -3.185 -0.802 -0.687) 3.355 19.608 ( -1.150 0.057 0.643) 1.319 19.725 ( -2.454 0.229 -0.758) 2.579 ======================= Grid point 25 (18/117) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.654 -3.921 2.537) 4.954 1.614 ( -0.453 -1.222 0.122) 1.309 1.710 ( 3.257 2.037 -1.844) 4.261 1.819 ( 4.721 -3.064 -3.603) 6.683 2.041 ( 0.765 -2.657 -3.387) 4.372 2.122 ( 0.312 0.250 5.418) 5.433 2.175 ( 4.712 0.081 -1.846) 5.062 2.347 ( 2.603 3.286 -0.832) 4.274 2.371 ( 2.564 2.019 -0.836) 3.369 2.430 ( 0.925 1.468 0.350) 1.770 2.491 ( 1.727 4.356 -2.432) 5.279 2.564 ( 0.316 0.017 1.594) 1.625 2.717 ( -2.031 -10.486 -0.406) 10.688 2.831 ( 1.865 2.422 3.709) 4.806 2.883 ( -0.570 -4.116 3.556) 5.469 3.107 ( -0.286 -8.368 -3.303) 9.001 3.179 ( 0.913 3.016 -1.274) 3.399 3.260 ( -1.255 3.622 5.246) 6.497 3.473 ( -5.226 0.332 -3.825) 6.484 3.532 ( -2.634 3.742 3.699) 5.885 3.809 ( 0.614 4.811 -0.825) 4.920 3.910 ( 2.860 1.429 3.281) 4.581 4.009 ( 5.104 1.918 -3.318) 6.383 4.073 ( -0.554 3.141 -2.427) 4.007 4.388 ( -3.068 -1.864 -2.813) 4.560 4.653 ( -3.427 -1.012 2.493) 4.357 4.826 ( -2.234 0.969 2.147) 3.246 5.041 ( 1.101 3.830 -0.187) 3.990 5.181 ( -12.176 -1.927 4.603) 13.159 5.297 ( -2.624 -0.762 3.266) 4.258 5.473 ( 0.492 -0.460 -4.716) 4.764 5.635 ( 0.081 -3.800 -10.115) 10.805 5.886 ( -8.560 4.722 5.348) 11.143 6.389 ( 2.875 0.817 1.848) 3.514 6.520 ( -6.696 -8.555 1.405) 10.954 6.728 ( -2.942 -1.362 -6.976) 7.693 6.844 ( -11.194 -1.861 -10.962) 15.778 6.992 ( -5.769 2.289 5.653) 8.395 7.128 ( -3.782 0.223 0.980) 3.914 7.190 ( -4.955 0.817 -1.093) 5.139 7.510 ( -16.162 -3.173 8.758) 18.654 7.657 ( 0.620 7.276 -6.176) 9.564 7.979 ( -20.526 -2.570 5.531) 21.412 8.015 ( 1.863 -1.478 8.649) 8.970 8.121 ( 0.177 -0.140 -4.743) 4.748 8.386 ( -6.325 -4.273 4.041) 8.637 8.510 ( -0.255 -7.811 1.950) 8.054 8.871 ( 17.611 -0.777 -14.597) 22.888 9.017 ( 8.243 4.387 3.553) 9.991 9.750 ( 9.487 7.261 -7.695) 14.211 10.030 ( -10.994 -10.051 -2.744) 15.147 10.156 ( -6.016 -4.930 15.788) 17.600 10.244 ( -9.715 5.905 0.290) 11.372 10.596 ( -1.053 2.374 1.605) 3.053 10.951 ( -1.415 -5.873 5.686) 8.296 11.399 ( -1.118 6.865 -9.420) 11.709 11.787 ( -7.208 -0.063 -8.848) 11.412 12.229 ( -11.601 -9.626 4.815) 15.825 12.791 ( 9.235 12.867 5.022) 16.616 13.166 ( 6.091 -3.503 -5.229) 8.759 14.240 ( -0.595 -4.366 -1.286) 4.590 14.290 ( -5.779 1.123 5.491) 8.051 14.499 ( 0.038 0.565 2.374) 2.441 14.645 ( 0.908 9.264 -1.538) 9.434 14.856 ( 5.186 4.378 -3.153) 7.483 14.987 ( 5.362 -1.386 1.571) 5.757 15.112 ( 2.757 -8.534 -3.477) 9.618 15.479 ( 11.910 3.683 3.102) 12.847 16.528 ( -4.949 -0.827 1.736) 5.309 16.613 ( -4.157 -2.843 -2.266) 5.522 19.587 ( -1.410 -0.310 -0.872) 1.687 19.675 ( -3.541 -0.473 0.938) 3.693 ======================= Grid point 26 (19/117) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.376 -1.679 0.961) 3.891 1.655 ( 3.839 -1.733 2.785) 5.050 1.770 ( 5.510 3.835 -5.656) 8.778 1.855 ( -2.483 6.051 -4.579) 7.985 2.066 ( -0.237 -4.659 1.157) 4.806 2.098 ( 0.408 2.031 4.670) 5.109 2.249 ( 1.420 0.163 0.137) 1.436 2.317 ( 5.962 3.705 -3.768) 7.967 2.412 ( -0.291 2.863 -0.758) 2.976 2.444 ( 2.172 1.139 1.008) 2.652 2.512 ( 3.841 -0.912 0.805) 4.028 2.606 ( 3.271 -3.138 -2.434) 5.145 2.784 ( 0.635 0.049 3.687) 3.741 2.839 ( -1.878 -10.118 2.052) 10.494 2.957 ( 3.909 -2.757 1.500) 5.013 3.119 ( -4.982 -1.343 -0.165) 5.162 3.180 ( 0.797 1.578 -2.433) 3.007 3.236 ( 0.438 -0.093 4.831) 4.852 3.289 ( -5.817 10.535 -2.871) 12.372 3.534 ( 2.028 -0.522 1.783) 2.750 3.763 ( -0.746 5.429 -1.116) 5.593 3.918 ( -0.822 4.667 -1.238) 4.898 4.019 ( 0.443 0.960 1.594) 1.913 4.050 ( 0.599 3.150 -3.221) 4.546 4.353 ( -4.804 -4.158 -0.955) 6.425 4.580 ( -6.928 -0.417 0.033) 6.941 4.743 ( -6.169 1.276 4.055) 7.491 4.954 ( -7.540 2.407 -3.347) 8.594 5.017 ( -8.253 -2.390 5.218) 10.052 5.286 ( -1.513 -0.417 3.020) 3.403 5.439 ( -2.494 -0.848 0.245) 2.646 5.626 ( -7.871 -8.177 -12.276) 16.719 5.785 ( 1.929 3.842 3.595) 5.604 6.266 ( -15.800 -3.177 3.070) 16.406 6.540 ( 1.523 -0.594 -0.261) 1.655 6.647 ( -7.533 -0.660 -6.369) 9.886 6.704 ( -8.792 -7.610 -6.646) 13.393 6.813 ( -8.556 4.290 -2.326) 9.851 7.012 ( -10.887 -0.091 0.810) 10.917 7.123 ( -0.422 -2.911 4.008) 4.971 7.371 ( -8.621 -0.517 6.638) 10.892 7.591 ( 0.058 2.598 -3.803) 4.606 7.664 ( -16.425 -3.754 -0.795) 16.867 8.076 ( -0.302 -4.408 14.162) 14.835 8.166 ( -0.830 -7.408 -6.291) 9.754 8.301 ( -5.651 -3.913 3.890) 7.898 8.586 ( -0.991 -6.719 2.594) 7.270 9.042 ( 10.369 8.291 -2.128) 13.446 9.261 ( 18.396 -1.914 -12.146) 22.127 9.671 ( -19.169 -11.100 3.507) 22.427 9.903 ( -12.308 7.083 -0.012) 14.200 10.099 ( 1.937 -2.127 5.651) 6.341 10.153 ( -0.105 0.864 -3.871) 3.967 10.612 ( 4.487 -0.112 1.616) 4.770 10.926 ( -5.944 -3.953 7.978) 10.705 11.198 ( -13.923 1.658 -9.699) 17.049 11.749 ( 3.411 4.551 -3.186) 6.519 12.143 ( -9.395 -10.448 1.474) 14.128 12.837 ( 7.321 9.561 5.509) 13.243 13.245 ( 3.405 2.810 -4.443) 6.264 14.172 ( -7.090 -0.231 5.229) 8.813 14.265 ( -1.496 -3.825 -2.294) 4.705 14.499 ( 1.033 2.923 -2.282) 3.849 14.550 ( -2.743 6.359 2.313) 7.302 14.901 ( 5.110 5.187 -3.582) 8.115 15.075 ( 3.708 0.549 3.344) 5.023 15.255 ( 6.785 -5.955 -4.993) 10.316 15.667 ( 15.237 7.484 3.955) 17.430 16.453 ( -5.643 -2.729 3.224) 7.049 16.584 ( -3.135 -6.132 -3.958) 7.943 19.567 ( -1.334 -0.984 -2.034) 2.624 19.616 ( -4.695 -1.657 2.413) 5.533 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -8.633 5.993 -1.378) 10.599 1.570 ( -12.000 16.242 -2.203) 20.314 1.739 ( 1.614 -0.871 0.190) 1.844 1.874 ( 8.806 6.007 -0.639) 10.679 2.057 ( -0.967 -2.351 -0.176) 2.549 2.188 ( 4.619 -0.986 2.653) 5.417 2.285 ( 2.480 -3.683 0.341) 4.453 2.372 ( 4.123 5.885 -3.291) 7.904 2.383 ( -0.135 1.871 1.572) 2.448 2.505 ( 3.197 1.451 1.972) 4.027 2.569 ( 3.454 4.245 -0.578) 5.503 2.696 ( 1.818 -4.525 -3.675) 6.106 2.757 ( 0.101 1.950 1.769) 2.635 2.896 ( -7.634 1.822 1.110) 7.927 2.961 ( 3.886 -0.006 5.452) 6.695 3.021 ( 0.074 -1.033 -1.933) 2.193 3.155 ( -2.283 -3.151 -0.993) 4.015 3.209 ( -1.941 -5.148 -3.373) 6.454 3.329 ( 7.619 0.445 3.742) 8.500 3.570 ( 1.454 1.628 2.404) 3.247 3.697 ( -0.994 4.673 -1.154) 4.915 3.788 ( -6.046 7.019 -1.286) 9.353 4.012 ( -2.234 2.251 -3.731) 4.896 4.056 ( 2.449 0.251 2.287) 3.360 4.249 ( -11.005 -3.343 -2.503) 11.771 4.461 ( -7.310 -4.171 3.341) 9.055 4.638 ( -6.105 -1.558 4.756) 7.894 4.756 ( -10.530 3.348 -3.461) 11.579 4.974 ( -0.152 -1.372 0.519) 1.475 5.242 ( -4.045 -1.354 -2.182) 4.791 5.463 ( -0.042 -4.680 5.960) 7.578 5.499 ( -10.923 -6.711 -3.355) 13.252 5.823 ( 3.697 2.189 -6.697) 7.957 6.075 ( -9.931 -5.481 1.741) 11.476 6.421 ( -12.588 -3.136 -7.154) 14.815 6.521 ( -9.255 3.730 5.123) 11.217 6.581 ( -9.640 1.298 -3.377) 10.297 6.679 ( -6.091 -4.955 -1.896) 8.078 6.951 ( 0.316 -0.983 3.247) 3.408 7.094 ( -9.581 -6.021 3.896) 11.968 7.244 ( -2.228 -0.300 1.515) 2.711 7.516 ( -4.083 -3.997 -6.071) 8.336 7.653 ( 8.370 -0.883 -3.975) 9.308 8.066 ( -8.171 -7.194 8.118) 13.580 8.171 ( -3.562 -7.874 -1.649) 8.798 8.368 ( 5.574 -3.963 10.156) 12.244 8.577 ( -3.451 -2.503 1.332) 4.466 9.122 ( -1.509 -0.828 -1.496) 2.280 9.419 ( -15.731 -6.514 7.499) 18.605 9.454 ( -0.051 0.571 -18.803) 18.812 9.702 ( -3.678 -1.281 -1.388) 4.134 10.056 ( -4.360 -3.854 5.637) 8.102 10.179 ( 0.615 5.090 -0.806) 5.190 10.685 ( -4.101 -6.097 0.333) 7.355 10.912 ( -3.219 1.490 -1.098) 3.713 11.023 ( 6.309 -1.329 0.345) 6.456 11.764 ( 3.400 6.215 -1.167) 7.180 12.083 ( -7.801 -8.058 -0.130) 11.216 12.887 ( 5.452 4.760 4.848) 8.711 13.234 ( 1.587 7.486 -3.195) 8.293 14.064 ( -6.877 -1.457 3.884) 8.032 14.252 ( -3.120 -2.321 -2.178) 4.457 14.427 ( -2.741 6.176 -1.943) 7.030 14.507 ( 0.642 3.109 1.965) 3.733 14.929 ( 4.432 6.276 -3.238) 8.337 15.092 ( 0.134 4.172 3.230) 5.278 15.432 ( 9.664 -3.520 -5.872) 11.843 15.868 ( 15.512 7.302 5.033) 17.868 16.397 ( -5.425 -5.005 4.599) 8.696 16.622 ( 1.078 -8.375 -6.304) 10.538 19.545 ( -5.628 -2.573 3.582) 7.150 19.560 ( -1.244 -1.918 -2.306) 3.247 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -11.920 14.330 -1.580) 18.706 1.201 ( -10.545 21.233 0.199) 23.708 1.700 ( -2.825 3.337 -2.560) 5.067 1.967 ( 6.639 5.932 0.016) 8.904 2.064 ( -0.362 1.486 0.777) 1.715 2.137 ( -5.315 22.978 2.598) 23.727 2.330 ( -0.992 11.966 1.337) 12.081 2.370 ( -0.486 1.191 -0.506) 1.382 2.397 ( 2.787 0.374 -1.389) 3.136 2.412 ( 6.517 -4.530 -1.464) 8.070 2.676 ( 2.902 -0.335 2.443) 3.809 2.697 ( 1.378 -1.387 -1.034) 2.212 2.789 ( 1.613 -2.098 -1.992) 3.312 2.891 ( -0.590 -9.580 0.836) 9.634 3.009 ( -0.981 -1.261 -1.746) 2.367 3.081 ( 6.927 -0.652 4.694) 8.393 3.176 ( -1.354 -8.865 -0.190) 8.969 3.249 ( -0.039 -8.154 -2.198) 8.445 3.449 ( 5.392 1.341 0.632) 5.593 3.545 ( -2.720 0.822 1.471) 3.200 3.626 ( -2.354 2.842 0.104) 3.692 3.678 ( 0.967 7.815 2.986) 8.422 3.907 ( -7.630 1.071 -5.398) 9.408 4.075 ( 1.179 1.161 1.956) 2.562 4.105 ( -6.951 -1.458 -2.204) 7.437 4.445 ( -2.049 -8.096 3.201) 8.944 4.525 ( -7.581 -0.532 0.643) 7.627 4.654 ( 0.836 0.292 3.421) 3.534 4.989 ( 1.328 1.918 -1.482) 2.764 5.100 ( -15.266 -5.339 -11.359) 19.764 5.412 ( -0.920 -2.814 4.358) 5.268 5.577 ( 4.683 -5.653 11.157) 13.356 5.846 ( 1.498 0.175 -13.767) 13.849 6.011 ( -5.587 -8.060 3.850) 10.536 6.220 ( -13.348 -5.215 -10.984) 18.056 6.325 ( -9.457 4.105 -0.171) 10.311 6.424 ( -3.717 2.207 6.993) 8.221 6.643 ( -3.885 -3.229 0.995) 5.148 6.850 ( -9.500 -0.582 3.012) 9.983 7.081 ( -1.684 -8.451 0.812) 8.655 7.270 ( 2.295 -1.626 -1.173) 3.048 7.597 ( 10.327 -3.992 -6.975) 13.085 7.887 ( 18.304 0.381 -0.293) 18.310 8.020 ( -4.195 -6.993 3.215) 8.766 8.133 ( -11.726 -11.337 3.228) 16.627 8.435 ( 0.445 2.880 0.466) 2.951 8.614 ( 0.728 -5.551 9.257) 10.818 8.898 ( -19.182 -6.102 0.398) 20.133 9.277 ( -15.830 -0.827 -14.125) 21.232 9.398 ( 4.527 1.973 3.424) 6.009 9.702 ( -1.617 -4.855 4.737) 6.973 10.032 ( -3.656 -1.834 -8.007) 8.991 10.138 ( -1.034 -0.377 -0.258) 1.130 10.639 ( -3.839 -7.007 0.190) 7.992 10.814 ( -3.926 1.693 6.678) 7.929 11.330 ( 20.179 -0.373 -3.531) 20.489 11.746 ( 1.162 5.690 0.044) 5.807 12.002 ( -8.565 -4.299 -0.205) 9.586 12.946 ( 3.477 0.428 3.049) 4.644 13.183 ( 1.289 7.964 -1.704) 8.246 13.973 ( -5.237 -0.842 2.390) 5.818 14.201 ( -3.417 0.028 -1.337) 3.670 14.336 ( -1.987 4.350 -0.382) 4.797 14.482 ( 0.541 5.394 0.209) 5.425 14.933 ( 3.154 6.948 -1.928) 7.870 15.020 ( -2.458 7.102 1.867) 7.743 15.630 ( 10.136 -3.755 -4.966) 11.895 16.067 ( 11.397 1.929 5.299) 12.716 16.361 ( -4.953 -5.821 4.827) 9.040 16.762 ( 7.530 -8.377 -8.545) 14.139 19.460 ( -7.112 -2.146 5.123) 9.024 19.568 ( -0.168 -2.626 -2.397) 3.560 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -0.000 19.761 -0.000) 19.761 0.897 ( -0.000 24.361 -0.000) 24.361 1.642 ( -0.000 3.093 -0.000) 3.093 1.722 ( -0.000 43.980 -0.000) 43.980 2.014 ( -0.000 2.015 -0.000) 2.015 2.018 ( -0.000 6.860 -0.000) 6.860 2.275 ( -0.000 4.279 -0.000) 4.279 2.371 ( 0.000 -2.654 0.000) 2.654 2.422 ( -0.000 0.057 -0.000) 0.057 2.544 ( 0.000 -6.045 0.000) 6.045 2.643 ( -0.000 0.237 -0.000) 0.237 2.734 ( -0.000 1.647 -0.000) 1.647 2.835 ( 0.000 -1.943 0.000) 1.943 2.946 ( 0.000 -4.369 0.000) 4.369 3.033 ( 0.000 -4.380 0.000) 4.380 3.165 ( 0.000 -2.118 0.000) 2.118 3.269 ( 0.000 -13.410 0.000) 13.410 3.324 ( 0.000 -6.592 0.000) 6.592 3.468 ( -0.000 5.497 -0.000) 5.497 3.486 ( -0.000 0.560 -0.000) 0.560 3.624 ( -0.000 2.560 -0.000) 2.560 3.645 ( -0.000 1.237 -0.000) 1.237 3.805 ( 0.000 -1.347 0.000) 1.347 4.038 ( -0.000 1.338 -0.000) 1.338 4.080 ( -0.000 1.736 -0.000) 1.736 4.458 ( -0.000 0.702 -0.000) 0.702 4.506 ( 0.000 -8.872 0.000) 8.872 4.687 ( -0.000 2.698 -0.000) 2.698 4.962 ( 0.000 -7.811 0.000) 7.811 4.978 ( -0.000 2.275 -0.000) 2.275 5.435 ( -0.000 0.534 -0.000) 0.534 5.707 ( 0.000 -6.837 0.000) 6.837 5.833 ( -0.000 0.510 -0.000) 0.510 6.061 ( 0.000 -9.822 0.000) 9.822 6.108 ( 0.000 -4.012 0.000) 4.012 6.211 ( -0.000 0.241 -0.000) 0.241 6.386 ( -0.000 2.782 -0.000) 2.782 6.621 ( 0.000 -1.865 0.000) 1.865 6.758 ( -0.000 0.652 -0.000) 0.652 7.143 ( 0.000 -9.319 0.000) 9.319 7.311 ( 0.000 -1.838 0.000) 1.838 7.810 ( -0.000 0.996 -0.000) 0.996 8.000 ( 0.000 -14.345 0.000) 14.345 8.063 ( 0.000 -6.368 0.000) 6.368 8.278 ( 0.000 -3.953 0.000) 3.953 8.346 ( -0.000 0.587 -0.000) 0.587 8.487 ( 0.000 -3.630 0.000) 3.630 8.916 ( -0.000 3.427 -0.000) 3.427 8.994 ( 0.000 -0.962 0.000) 0.962 9.436 ( -0.000 2.403 -0.000) 2.403 9.698 ( -0.000 1.877 -0.000) 1.877 10.061 ( 0.000 -13.249 0.000) 13.249 10.113 ( -0.000 1.697 -0.000) 1.697 10.703 ( 0.000 -8.503 0.000) 8.503 10.746 ( -0.000 3.320 -0.000) 3.320 11.529 ( -0.000 3.251 -0.000) 3.251 11.752 ( 0.000 -1.518 0.000) 1.518 11.896 ( -0.000 0.732 -0.000) 0.732 12.983 ( -0.000 0.316 -0.000) 0.316 13.141 ( -0.000 4.398 -0.000) 4.398 13.923 ( -0.000 0.569 -0.000) 0.569 14.154 ( -0.000 2.427 -0.000) 2.427 14.291 ( -0.000 1.695 -0.000) 1.695 14.433 ( -0.000 6.599 -0.000) 6.599 14.915 ( -0.000 6.141 -0.000) 6.141 14.915 ( -0.000 7.409 -0.000) 7.409 15.780 ( 0.000 -5.050 0.000) 5.050 16.181 ( 0.000 -1.949 0.000) 1.949 16.360 ( 0.000 -5.208 0.000) 5.208 16.945 ( 0.000 -9.950 0.000) 9.950 19.385 ( -0.000 0.482 -0.000) 0.482 19.591 ( 0.000 -2.995 0.000) 2.995 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.789 0.000 2.038) 2.185 1.603 ( -1.388 0.000 -0.483) 1.470 1.733 ( 2.760 -0.000 -2.696) 3.859 1.777 ( 6.780 -0.000 0.177) 6.782 2.027 ( 0.363 -0.000 -5.170) 5.183 2.122 ( 1.943 -0.000 6.875) 7.144 2.172 ( 4.106 -0.000 -3.197) 5.204 2.334 ( 7.070 -0.000 -2.285) 7.430 2.447 ( 2.793 -0.000 2.345) 3.647 2.479 ( 1.356 -0.000 -2.091) 2.492 2.512 ( 0.542 -0.000 -0.424) 0.688 2.553 ( 1.280 -0.000 1.519) 1.987 2.607 ( -5.831 0.000 -2.990) 6.553 2.825 ( -2.718 0.000 3.587) 4.500 2.901 ( 2.592 -0.000 4.700) 5.367 2.999 ( 1.218 -0.000 -3.472) 3.679 3.216 ( -0.488 0.000 0.977) 1.092 3.300 ( 0.297 -0.000 5.676) 5.684 3.441 ( -6.329 0.000 -0.001) 6.329 3.574 ( -1.440 0.000 -3.584) 3.863 3.861 ( 0.025 -0.000 1.619) 1.620 3.925 ( 3.892 -0.000 3.909) 5.516 4.029 ( 6.342 -0.000 -4.528) 7.792 4.105 ( -1.234 0.000 -2.813) 3.072 4.372 ( -3.574 0.000 -4.236) 5.542 4.643 ( -3.136 0.000 4.145) 5.198 4.835 ( -1.857 0.000 2.124) 2.822 5.082 ( 1.315 -0.000 0.550) 1.425 5.159 ( -13.251 0.000 3.998) 13.841 5.290 ( -3.279 0.000 4.791) 5.806 5.473 ( 1.335 -0.000 -7.596) 7.712 5.592 ( -1.462 0.000 -10.797) 10.895 5.942 ( -9.266 0.000 7.287) 11.788 6.398 ( -8.721 0.000 4.637) 9.877 6.426 ( 6.274 -0.000 -2.608) 6.794 6.717 ( -2.076 0.000 -8.609) 8.856 6.830 ( -13.037 0.000 -10.455) 16.711 7.010 ( -1.613 0.000 10.074) 10.203 7.134 ( -8.042 0.000 -2.363) 8.382 7.197 ( -4.981 0.000 -1.273) 5.141 7.478 ( -16.721 0.000 8.975) 18.978 7.738 ( 1.378 -0.000 -8.683) 8.791 7.945 ( -13.573 0.000 10.355) 17.072 8.000 ( -6.905 0.000 6.446) 9.446 8.138 ( -4.470 0.000 -8.570) 9.666 8.324 ( -9.172 0.000 6.408) 11.188 8.447 ( 1.872 -0.000 6.267) 6.540 8.852 ( 22.119 -0.000 -17.302) 28.082 9.068 ( 8.409 -0.000 1.117) 8.483 9.857 ( -17.977 0.000 -1.575) 18.045 9.899 ( 15.128 -0.000 -6.779) 16.578 10.108 ( -6.667 0.000 18.851) 19.996 10.306 ( -9.293 0.000 0.270) 9.297 10.627 ( -3.251 0.000 -0.760) 3.339 10.882 ( 0.599 -0.000 5.926) 5.956 11.452 ( -6.649 0.000 -10.417) 12.358 11.806 ( -1.683 0.000 -9.733) 9.878 12.130 ( -12.537 0.000 6.985) 14.352 13.001 ( 11.011 -0.000 4.611) 11.937 13.040 ( 4.246 -0.000 -5.538) 6.978 14.198 ( 0.283 -0.000 -0.857) 0.903 14.305 ( -6.111 0.000 7.556) 9.718 14.503 ( 0.153 -0.000 2.945) 2.949 14.798 ( 8.095 -0.000 -6.313) 10.265 14.866 ( -6.481 0.000 -3.318) 7.281 14.959 ( 8.017 -0.000 -0.267) 8.021 15.009 ( 4.705 -0.000 0.492) 4.731 15.516 ( 13.831 -0.000 3.191) 14.195 16.521 ( -5.470 0.000 1.624) 5.706 16.585 ( -5.369 0.000 -2.224) 5.811 19.584 ( -1.622 0.000 -0.727) 1.777 19.671 ( -3.909 0.000 0.753) 3.980 ======================= Grid point 35 (24/117) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.229 -1.363 0.404) 1.440 1.623 ( 3.194 -1.201 1.157) 3.603 1.810 ( 6.439 0.839 -2.148) 6.839 1.906 ( 6.305 0.113 -3.245) 7.092 2.019 ( -0.204 -0.353 0.496) 0.642 2.122 ( -1.103 0.934 3.959) 4.215 2.263 ( 5.332 -0.071 -3.869) 6.588 2.377 ( -5.540 3.863 -1.675) 6.959 2.436 ( 3.047 0.821 -3.577) 4.770 2.476 ( 1.375 -0.578 1.283) 1.968 2.517 ( -2.038 1.313 2.407) 3.416 2.567 ( 2.751 0.884 -2.095) 3.569 2.655 ( 6.499 -7.334 1.659) 9.939 2.784 ( -3.302 -1.932 3.864) 5.437 2.963 ( 5.141 2.783 1.949) 6.163 3.038 ( 0.013 -5.173 -2.008) 5.549 3.202 ( -0.474 0.946 -0.056) 1.060 3.280 ( -0.719 4.539 6.141) 7.670 3.382 ( -3.368 -2.824 -0.643) 4.442 3.551 ( 1.886 3.310 -1.549) 4.113 3.839 ( -1.500 2.159 1.415) 2.985 3.990 ( 4.000 1.906 2.059) 4.885 4.048 ( -2.995 2.778 -3.409) 5.321 4.087 ( -0.144 0.464 -3.160) 3.197 4.301 ( -5.346 -1.417 -2.658) 6.136 4.592 ( -4.173 1.189 1.238) 4.513 4.744 ( -10.052 -0.854 6.112) 11.796 4.951 ( -9.502 -0.918 -0.281) 9.550 5.017 ( -6.691 0.832 1.920) 7.010 5.289 ( 0.076 0.522 3.829) 3.866 5.432 ( -4.077 0.086 -4.849) 6.335 5.515 ( -8.813 -3.971 -11.402) 14.949 5.844 ( -0.274 2.317 5.030) 5.545 6.197 ( -16.158 -3.434 5.303) 17.350 6.530 ( 3.015 0.353 -1.563) 3.415 6.601 ( -11.425 -3.633 -14.608) 18.897 6.646 ( -5.532 0.030 -5.386) 7.721 6.911 ( -8.089 5.170 2.682) 9.968 6.999 ( -10.561 -0.428 0.008) 10.570 7.061 ( -3.756 -3.942 4.606) 7.132 7.365 ( -3.792 -0.120 6.538) 7.559 7.586 ( -19.981 -1.673 6.872) 21.196 7.680 ( -4.156 3.402 -9.438) 10.859 7.979 ( -4.586 -4.773 8.027) 10.404 8.090 ( -2.849 -2.271 -8.404) 9.160 8.234 ( -2.921 -2.325 9.102) 9.838 8.522 ( 4.180 -1.068 6.583) 7.871 9.178 ( 11.702 5.335 -7.848) 15.066 9.223 ( 15.520 -1.511 -11.417) 19.326 9.515 ( -22.765 -5.682 3.036) 23.659 9.987 ( -10.069 1.220 7.214) 12.447 10.012 ( -7.165 -1.653 9.548) 12.051 10.264 ( 11.415 5.345 -10.642) 16.496 10.587 ( -1.613 -2.058 -0.481) 2.658 10.866 ( -3.126 -2.078 8.913) 9.671 11.201 ( -16.837 -0.378 -7.696) 18.517 11.846 ( 5.177 5.262 -5.562) 9.242 11.985 ( -7.546 -6.809 3.035) 10.607 13.020 ( 3.539 9.653 -1.026) 10.332 13.218 ( 6.848 -4.879 1.689) 8.577 14.185 ( -5.355 0.964 4.618) 7.136 14.209 ( -2.882 -2.067 0.990) 3.682 14.518 ( 1.290 0.298 1.156) 1.758 14.705 ( -4.035 8.949 -2.780) 10.203 14.925 ( 3.768 -2.456 -6.809) 8.160 15.091 ( 6.261 0.161 0.081) 6.264 15.135 ( 8.409 -4.542 1.189) 9.631 15.774 ( 16.969 3.732 3.553) 17.734 16.423 ( -6.424 -0.781 2.500) 6.938 16.491 ( -6.560 -3.472 -3.338) 8.138 19.555 ( -1.696 -0.338 -1.612) 2.364 19.597 ( -5.006 -0.483 1.759) 5.328 ======================= Grid point 36 (25/117) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.044 3.169 -1.312) 3.585 1.713 ( 4.452 -1.169 -0.125) 4.605 1.831 ( -5.684 11.990 -2.044) 13.426 1.917 ( 3.953 -1.127 -1.877) 4.519 2.057 ( 2.282 3.000 2.299) 4.415 2.146 ( 5.116 -3.092 2.274) 6.396 2.237 ( -1.592 -1.575 1.173) 2.528 2.408 ( 1.269 -2.683 -6.147) 6.826 2.437 ( 3.131 1.492 -0.158) 3.472 2.493 ( 1.874 1.109 -0.517) 2.238 2.539 ( 0.497 -4.035 3.136) 5.135 2.608 ( 2.464 -1.576 -2.303) 3.722 2.742 ( -2.680 -3.980 3.253) 5.797 2.872 ( 11.005 -1.218 2.567) 11.366 2.997 ( -0.740 -2.057 -1.167) 2.478 3.053 ( -0.412 2.372 0.137) 2.411 3.177 ( -2.461 0.203 -1.059) 2.687 3.208 ( -5.242 7.646 0.652) 9.294 3.356 ( 4.990 1.926 3.430) 6.354 3.599 ( 4.222 2.510 2.238) 5.398 3.775 ( -2.610 3.322 -0.533) 4.258 3.923 ( -4.658 7.156 -3.717) 9.312 4.031 ( -1.603 -0.519 -1.169) 2.051 4.063 ( 1.505 0.793 1.308) 2.146 4.196 ( -9.572 -2.392 -2.363) 10.146 4.422 ( -11.877 0.868 3.299) 12.357 4.600 ( -9.066 -3.684 4.417) 10.736 4.821 ( -7.851 3.413 -2.789) 9.004 4.940 ( -0.321 -1.501 -1.123) 1.902 5.212 ( -7.580 -1.759 -7.206) 10.606 5.373 ( -8.619 -4.614 -4.781) 10.883 5.423 ( -0.175 -2.573 10.246) 10.566 5.861 ( 2.203 2.009 -3.850) 4.870 5.984 ( -11.863 -4.572 4.182) 13.384 6.342 ( -16.428 -4.984 -16.800) 24.020 6.540 ( -5.872 -0.270 6.362) 8.662 6.584 ( -3.307 -1.155 -0.188) 3.508 6.708 ( -10.290 6.942 -2.294) 12.623 6.923 ( 0.884 -2.631 3.123) 4.178 7.016 ( -9.836 -3.201 6.313) 12.118 7.254 ( -4.106 1.694 1.888) 4.826 7.419 ( -5.417 -6.234 -0.554) 8.277 7.638 ( 4.406 -0.550 -8.929) 9.972 7.924 ( -8.022 -7.426 1.384) 11.019 8.054 ( -5.182 -5.117 -0.156) 7.285 8.306 ( 7.306 -2.488 14.354) 16.297 8.579 ( 1.857 1.457 3.292) 4.051 9.075 ( -21.685 -4.122 0.460) 22.078 9.368 ( 4.278 0.740 7.818) 8.943 9.414 ( 0.350 -3.697 -25.794) 26.059 9.755 ( -10.777 4.782 2.350) 12.022 9.978 ( 0.697 -4.209 6.743) 7.980 10.281 ( -4.315 5.835 -1.804) 7.477 10.573 ( -7.045 -6.473 -0.064) 9.567 10.938 ( -0.140 1.589 -2.006) 2.563 10.998 ( 6.971 -1.491 1.649) 7.317 11.850 ( 0.110 1.961 4.292) 4.721 11.969 ( -1.516 -3.207 -5.031) 6.156 12.984 ( 0.338 5.410 -1.252) 5.563 13.331 ( 5.469 3.418 2.394) 6.880 14.067 ( -6.287 1.611 5.247) 8.346 14.191 ( -3.302 -3.938 -2.262) 5.615 14.537 ( 1.339 1.108 -0.381) 1.780 14.568 ( -2.741 8.483 -0.261) 8.919 14.984 ( 2.808 -0.198 -4.311) 5.149 15.175 ( 4.701 3.301 0.354) 5.755 15.332 ( 9.247 -5.007 -1.109) 10.574 15.996 ( 13.260 7.151 3.773) 15.531 16.330 ( -6.124 -2.450 3.218) 7.339 16.455 ( -2.781 -9.894 -4.495) 11.218 19.516 ( -5.324 -0.933 2.348) 5.893 19.534 ( -1.361 -1.034 -1.926) 2.575 ======================= Grid point 37 (26/117) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.959 11.993 -1.732) 13.093 1.555 ( -7.206 18.763 -0.580) 20.107 1.749 ( -0.951 2.497 0.364) 2.696 1.984 ( 1.659 -4.813 -4.270) 6.644 2.087 ( 3.738 5.105 3.577) 7.269 2.267 ( 5.034 -3.202 1.681) 6.198 2.301 ( 3.695 -3.004 1.164) 4.902 2.400 ( 0.419 1.640 0.208) 1.706 2.456 ( 1.497 3.705 -3.034) 5.018 2.570 ( 1.418 -9.768 -2.643) 10.218 2.591 ( 0.256 -0.965 3.474) 3.614 2.668 ( 3.332 -2.075 -0.127) 3.927 2.752 ( -0.360 -3.394 0.921) 3.535 2.868 ( -4.709 15.212 -0.551) 15.934 2.983 ( -1.739 -2.986 -1.098) 3.625 3.080 ( -2.213 0.609 0.189) 2.303 3.109 ( 3.631 1.696 1.066) 4.147 3.147 ( 2.842 -2.719 0.601) 3.979 3.469 ( 6.293 0.779 2.369) 6.769 3.578 ( -1.033 4.061 1.357) 4.404 3.705 ( -3.917 4.749 -1.908) 6.445 3.808 ( 0.232 6.775 2.285) 7.154 3.938 ( -9.451 1.906 -5.175) 10.943 4.061 ( -2.306 -1.991 -1.567) 3.426 4.109 ( 1.265 0.805 2.409) 2.838 4.295 ( -6.347 -7.652 3.379) 10.500 4.514 ( -4.387 -1.620 3.752) 5.996 4.673 ( -2.550 2.651 0.591) 3.726 4.953 ( -8.075 -6.439 -10.637) 14.826 5.059 ( -4.487 1.672 -7.135) 8.593 5.362 ( 1.712 -3.703 3.302) 5.249 5.474 ( 1.168 -5.143 13.781) 14.756 5.847 ( -0.083 -0.226 -7.044) 7.048 5.896 ( -5.694 -4.925 1.807) 7.742 6.110 ( -14.612 -6.721 -14.035) 21.347 6.410 ( -10.860 4.548 -0.114) 11.774 6.458 ( -2.913 1.703 6.570) 7.386 6.595 ( -2.405 -1.751 0.404) 3.002 6.847 ( -8.852 0.123 5.072) 10.203 6.971 ( -0.510 -4.096 1.762) 4.488 7.240 ( 0.699 -1.565 -2.239) 2.820 7.485 ( 6.259 -8.140 -4.045) 11.036 7.844 ( 17.120 -4.644 -5.404) 18.543 7.876 ( -5.029 -8.121 0.832) 9.588 7.973 ( -10.567 -5.526 3.827) 12.524 8.484 ( 6.775 1.876 8.770) 11.240 8.581 ( -3.505 0.692 4.622) 5.842 8.744 ( -15.922 -9.271 5.771) 19.307 9.245 ( -16.959 -3.313 -17.766) 24.783 9.473 ( 8.255 5.877 0.597) 10.151 9.636 ( -1.435 -1.759 2.066) 3.070 10.025 ( -4.160 -1.631 -5.291) 6.925 10.111 ( -7.694 -0.850 1.841) 7.957 10.540 ( -0.310 -4.070 2.657) 4.870 10.847 ( -3.491 1.482 3.878) 5.424 11.322 ( 20.363 -0.467 -5.528) 21.105 11.818 ( -3.880 0.778 7.095) 8.124 11.950 ( -1.699 0.192 -4.561) 4.871 12.948 ( -1.052 0.151 -0.877) 1.378 13.349 ( 3.336 9.904 1.535) 10.564 13.969 ( -4.177 0.716 2.653) 5.000 14.164 ( -3.230 -3.724 -1.599) 5.182 14.459 ( -1.120 8.679 -0.508) 8.765 14.544 ( 0.748 1.884 0.392) 2.064 15.018 ( 1.946 1.305 -1.929) 3.035 15.174 ( 1.750 9.732 0.978) 9.937 15.521 ( 6.900 -6.748 -3.031) 10.116 16.101 ( 4.829 2.379 3.299) 6.314 16.272 ( -4.329 -4.058 3.283) 6.782 16.575 ( 4.591 -12.262 -4.391) 13.810 19.439 ( -4.508 -0.520 2.366) 5.117 19.528 ( -0.572 -1.805 -1.593) 2.474 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 17.524 -0.000) 17.524 1.304 ( -0.000 21.963 -0.000) 21.963 1.703 ( -0.000 3.638 -0.000) 3.638 2.037 ( 0.000 -3.617 0.000) 3.617 2.073 ( -0.000 4.954 -0.000) 4.954 2.289 ( -0.000 11.323 -0.000) 11.323 2.364 ( 0.000 -3.066 0.000) 3.066 2.404 ( -0.000 2.265 -0.000) 2.265 2.459 ( 0.000 -0.773 0.000) 0.773 2.480 ( -0.000 19.537 -0.000) 19.537 2.661 ( -0.000 3.861 -0.000) 3.861 2.718 ( 0.000 -15.905 0.000) 15.905 2.753 ( 0.000 -0.420 0.000) 0.420 2.814 ( 0.000 -4.199 0.000) 4.199 2.986 ( 0.000 -1.650 0.000) 1.650 3.086 ( 0.000 -6.173 0.000) 6.173 3.112 ( 0.000 -3.430 0.000) 3.430 3.234 ( 0.000 -1.447 0.000) 1.447 3.502 ( -0.000 1.451 -0.000) 1.451 3.582 ( -0.000 6.243 -0.000) 6.243 3.606 ( -0.000 0.193 -0.000) 0.193 3.768 ( -0.000 7.295 -0.000) 7.295 3.793 ( -0.000 0.220 -0.000) 0.220 4.056 ( -0.000 0.586 -0.000) 0.586 4.111 ( -0.000 1.960 -0.000) 1.960 4.333 ( 0.000 -10.726 0.000) 10.726 4.474 ( -0.000 1.162 -0.000) 1.162 4.721 ( -0.000 1.317 -0.000) 1.317 4.811 ( 0.000 -8.885 0.000) 8.885 5.032 ( -0.000 3.666 -0.000) 3.666 5.419 ( 0.000 -2.245 0.000) 2.245 5.567 ( 0.000 -8.476 0.000) 8.476 5.837 ( 0.000 -0.230 0.000) 0.230 5.928 ( 0.000 -5.654 0.000) 5.654 5.986 ( 0.000 -7.444 0.000) 7.444 6.270 ( -0.000 3.923 -0.000) 3.923 6.429 ( -0.000 2.178 -0.000) 2.178 6.584 ( 0.000 -2.023 0.000) 2.023 6.768 ( -0.000 0.632 -0.000) 0.632 7.002 ( 0.000 -6.008 0.000) 6.008 7.270 ( 0.000 -2.627 0.000) 2.627 7.722 ( 0.000 -16.168 0.000) 16.168 7.817 ( -0.000 0.175 -0.000) 0.175 7.918 ( 0.000 -9.269 0.000) 9.269 8.234 ( 0.000 -1.554 0.000) 1.554 8.288 ( 0.000 -7.890 0.000) 7.890 8.494 ( -0.000 4.226 -0.000) 4.226 8.925 ( 0.000 -5.921 0.000) 5.921 8.952 ( -0.000 0.710 -0.000) 0.710 9.515 ( -0.000 6.372 -0.000) 6.372 9.675 ( 0.000 -4.839 0.000) 4.839 9.924 ( 0.000 -1.630 0.000) 1.630 10.094 ( 0.000 -3.852 0.000) 3.852 10.594 ( 0.000 -3.897 0.000) 3.897 10.798 ( -0.000 2.432 -0.000) 2.432 11.563 ( 0.000 -0.395 0.000) 0.395 11.737 ( 0.000 -0.076 0.000) 0.076 11.914 ( -0.000 2.110 -0.000) 2.110 12.953 ( 0.000 -2.662 0.000) 2.662 13.283 ( -0.000 10.906 -0.000) 10.906 13.928 ( -0.000 0.257 -0.000) 0.257 14.158 ( 0.000 -2.070 0.000) 2.070 14.376 ( -0.000 7.677 -0.000) 7.677 14.527 ( -0.000 3.579 -0.000) 3.579 15.016 ( -0.000 3.430 -0.000) 3.430 15.083 ( -0.000 12.326 -0.000) 12.326 15.655 ( 0.000 -8.466 0.000) 8.466 16.147 ( 0.000 -1.790 0.000) 1.790 16.270 ( 0.000 -4.660 0.000) 4.660 16.741 ( 0.000 -12.891 0.000) 12.891 19.394 ( -0.000 0.508 -0.000) 0.508 19.542 ( 0.000 -2.474 0.000) 2.474 ======================= Grid point 45 (28/117) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.525 -0.000 -1.503) 2.938 1.700 ( 5.725 -0.000 0.478) 5.745 1.895 ( 1.969 -0.000 -1.395) 2.413 1.964 ( -0.477 0.000 -1.780) 1.842 2.071 ( 6.300 -0.000 1.303) 6.433 2.131 ( 1.459 -0.000 3.088) 3.415 2.223 ( -8.445 0.000 -1.061) 8.512 2.343 ( 2.154 -0.000 -2.918) 3.627 2.476 ( 4.549 -0.000 -1.362) 4.749 2.480 ( -0.590 0.000 -0.105) 0.600 2.524 ( 1.122 -0.000 1.847) 2.161 2.611 ( 0.995 -0.000 -3.999) 4.121 2.687 ( -2.558 0.000 4.425) 5.111 2.858 ( 13.445 -0.000 3.068) 13.791 2.972 ( -1.715 0.000 -1.862) 2.532 3.082 ( 3.105 -0.000 -0.340) 3.124 3.182 ( -2.255 0.000 -1.168) 2.539 3.280 ( -4.441 0.000 2.795) 5.247 3.365 ( 4.311 -0.000 4.393) 6.155 3.644 ( 6.528 -0.000 -0.095) 6.529 3.795 ( -4.444 0.000 1.205) 4.604 3.980 ( -5.009 0.000 -3.767) 6.268 4.031 ( -4.992 0.000 -1.149) 5.123 4.072 ( 3.748 -0.000 0.679) 3.809 4.176 ( -8.429 0.000 -2.947) 8.929 4.473 ( -17.540 0.000 6.037) 18.550 4.525 ( -5.818 0.000 1.625) 6.040 4.853 ( -3.774 0.000 -0.195) 3.779 4.933 ( -3.416 0.000 -2.458) 4.208 5.193 ( -10.004 0.000 -9.630) 13.886 5.326 ( -7.791 0.000 -6.102) 9.896 5.402 ( 0.095 -0.000 12.069) 12.070 5.882 ( 2.040 -0.000 -2.314) 3.085 5.938 ( -12.089 0.000 5.418) 13.248 6.291 ( -17.804 0.000 -19.496) 26.402 6.535 ( -4.025 0.000 6.247) 7.431 6.575 ( -3.320 0.000 -0.873) 3.433 6.811 ( -14.774 0.000 -4.929) 15.575 6.869 ( 0.242 -0.000 4.504) 4.511 6.982 ( -3.548 0.000 8.423) 9.139 7.295 ( -5.740 0.000 -1.048) 5.835 7.336 ( -6.486 0.000 6.386) 9.102 7.636 ( 1.491 -0.000 -11.371) 11.468 7.849 ( -6.909 0.000 -1.067) 6.991 8.008 ( -4.794 0.000 -0.742) 4.851 8.284 ( 7.754 -0.000 15.108) 16.982 8.597 ( 3.653 -0.000 5.053) 6.235 9.032 ( -26.919 0.000 4.223) 27.249 9.361 ( -2.325 0.000 -24.185) 24.296 9.397 ( 11.042 -0.000 2.944) 11.427 9.812 ( -12.554 0.000 2.595) 12.819 9.930 ( 1.672 -0.000 5.855) 6.089 10.350 ( -8.006 0.000 -1.079) 8.078 10.496 ( -4.923 0.000 -1.030) 5.029 10.961 ( -9.464 0.000 1.169) 9.536 10.976 ( 17.497 -0.000 -0.944) 17.522 11.847 ( -4.314 0.000 7.879) 8.983 11.961 ( 3.797 -0.000 -8.723) 9.514 13.039 ( -3.607 0.000 -5.460) 6.544 13.359 ( 9.463 -0.000 6.661) 11.573 14.096 ( -5.953 0.000 6.591) 8.881 14.143 ( -3.793 0.000 -2.428) 4.504 14.544 ( 1.319 -0.000 0.762) 1.524 14.667 ( -3.836 0.000 0.110) 3.837 14.970 ( 3.172 -0.000 -10.817) 11.273 15.164 ( 4.857 -0.000 -0.607) 4.895 15.316 ( 11.469 -0.000 4.435) 12.296 16.082 ( 15.745 -0.000 3.126) 16.053 16.312 ( -6.154 0.000 2.292) 6.566 16.337 ( -8.399 0.000 -3.727) 9.189 19.508 ( -5.150 0.000 1.917) 5.495 19.524 ( -1.436 0.000 -1.712) 2.235 ======================= Grid point 47 (29/117) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.381 5.274 -1.733) 5.564 1.772 ( 1.600 1.717 0.161) 2.352 1.842 ( -4.756 8.929 -1.963) 10.305 1.916 ( 0.302 0.797 -1.274) 1.533 2.126 ( 1.701 -3.569 2.406) 4.628 2.215 ( 5.118 -7.267 0.611) 8.909 2.220 ( 2.926 2.100 1.619) 3.949 2.362 ( -1.038 -5.017 -1.517) 5.343 2.461 ( -0.536 1.551 0.571) 1.737 2.512 ( -1.082 2.031 0.410) 2.337 2.584 ( 3.860 -0.743 -0.068) 3.931 2.629 ( 2.236 -2.342 -1.947) 3.778 2.679 ( 0.979 -2.845 1.710) 3.460 2.928 ( -1.771 -2.045 -1.598) 3.142 3.066 ( -0.210 5.276 1.046) 5.383 3.125 ( 6.041 0.493 -2.060) 6.402 3.130 ( -2.012 0.669 -2.456) 3.245 3.155 ( -2.905 3.116 5.551) 6.997 3.479 ( 7.205 0.313 3.103) 7.851 3.679 ( -0.277 6.117 0.405) 6.137 3.748 ( -2.008 -0.855 -0.347) 2.210 3.903 ( -1.632 2.954 -0.258) 3.385 3.958 ( -9.103 0.599 -3.147) 9.650 4.015 ( -3.296 -2.341 -0.491) 4.072 4.128 ( 3.865 1.419 0.765) 4.188 4.224 ( -10.952 -0.718 3.511) 11.523 4.469 ( -1.422 -2.553 4.695) 5.531 4.747 ( -6.250 5.181 -2.416) 8.470 4.844 ( -9.387 -5.650 -9.717) 14.644 5.091 ( 0.177 1.399 -5.293) 5.478 5.279 ( 0.258 -4.163 -1.380) 4.393 5.423 ( 0.432 -1.101 16.274) 16.317 5.805 ( -5.289 -2.503 5.142) 7.790 5.882 ( -1.275 1.547 -6.579) 6.877 6.003 ( -14.570 -4.550 -16.247) 22.292 6.465 ( -11.047 1.586 0.220) 11.163 6.480 ( -2.744 0.640 6.091) 6.711 6.588 ( -4.318 0.537 -1.569) 4.626 6.846 ( -6.104 -0.326 5.161) 8.000 6.931 ( -1.641 -0.746 3.939) 4.332 7.222 ( -1.222 -0.353 -3.427) 3.655 7.360 ( 3.915 -4.611 0.732) 6.093 7.764 ( -3.152 -3.511 -1.817) 5.056 7.780 ( 13.734 -2.229 -7.533) 15.822 7.918 ( -6.315 -1.421 0.861) 6.530 8.496 ( 13.430 -0.130 16.299) 21.120 8.581 ( -24.835 -1.594 3.284) 25.102 8.654 ( 1.179 -0.362 4.468) 4.635 9.181 ( -15.308 -2.747 -17.494) 23.408 9.571 ( 9.518 4.002 -2.453) 10.613 9.630 ( -5.921 0.348 4.343) 7.351 9.958 ( -2.015 -3.707 -6.505) 7.754 10.127 ( -14.108 1.157 3.587) 14.603 10.494 ( 3.594 -1.290 1.712) 4.185 10.862 ( -3.486 0.361 4.692) 5.857 11.315 ( 19.298 -0.282 -8.036) 20.907 11.800 ( -3.868 -1.100 10.551) 11.291 11.981 ( 0.619 1.528 -5.878) 6.105 12.952 ( -4.573 0.233 -3.852) 5.983 13.488 ( 6.507 4.769 4.061) 9.032 14.000 ( -4.168 2.361 3.449) 5.903 14.093 ( -3.377 -3.653 -1.312) 5.146 14.561 ( 0.798 0.358 0.358) 0.946 14.597 ( -1.360 5.499 0.105) 5.666 15.005 ( 1.334 -1.439 -5.536) 5.874 15.248 ( 3.435 -1.304 -1.006) 3.809 15.486 ( 8.451 2.427 2.686) 9.194 16.164 ( -2.362 4.832 -0.388) 5.393 16.223 ( -4.248 -1.520 2.015) 4.941 16.367 ( 5.760 -9.957 -0.981) 11.545 19.435 ( -3.513 -0.066 1.404) 3.783 19.506 ( -0.768 -0.631 -1.172) 1.536 ======================= Grid point 48 (30/117) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.000 12.309 -0.000) 12.309 1.656 ( -0.000 17.677 -0.000) 17.677 1.762 ( -0.000 2.822 -0.000) 2.822 1.950 ( 0.000 -4.800 0.000) 4.800 2.172 ( -0.000 5.789 -0.000) 5.789 2.242 ( 0.000 -8.327 0.000) 8.327 2.351 ( 0.000 -1.432 0.000) 1.432 2.411 ( 0.000 -16.468 0.000) 16.468 2.431 ( -0.000 3.448 -0.000) 3.448 2.488 ( -0.000 1.762 -0.000) 1.762 2.604 ( -0.000 0.037 -0.000) 0.037 2.680 ( 0.000 -5.394 0.000) 5.394 2.762 ( 0.000 -2.341 0.000) 2.341 2.929 ( -0.000 13.865 -0.000) 13.865 2.939 ( 0.000 -2.997 0.000) 2.997 3.053 ( -0.000 0.730 -0.000) 0.730 3.097 ( -0.000 1.582 -0.000) 1.582 3.254 ( -0.000 2.064 -0.000) 2.064 3.549 ( -0.000 2.744 -0.000) 2.744 3.646 ( -0.000 4.927 -0.000) 4.927 3.669 ( -0.000 3.708 -0.000) 3.708 3.805 ( -0.000 0.683 -0.000) 0.683 3.872 ( -0.000 4.218 -0.000) 4.218 4.059 ( 0.000 -0.126 0.000) 0.126 4.140 ( 0.000 -4.346 0.000) 4.346 4.165 ( 0.000 -1.645 0.000) 1.645 4.498 ( -0.000 1.413 -0.000) 1.413 4.672 ( 0.000 -6.431 0.000) 6.431 4.741 ( -0.000 1.021 -0.000) 1.021 5.092 ( -0.000 2.655 -0.000) 2.655 5.338 ( 0.000 -6.419 0.000) 6.419 5.463 ( 0.000 -2.898 0.000) 2.898 5.807 ( 0.000 -3.556 0.000) 3.556 5.845 ( 0.000 -3.799 0.000) 3.799 5.892 ( 0.000 -2.349 0.000) 2.349 6.326 ( -0.000 2.341 -0.000) 2.341 6.460 ( -0.000 1.198 -0.000) 1.198 6.562 ( 0.000 -0.451 0.000) 0.451 6.780 ( -0.000 0.615 -0.000) 0.615 6.932 ( 0.000 -2.405 0.000) 2.405 7.228 ( 0.000 -1.952 0.000) 1.952 7.482 ( 0.000 -10.084 0.000) 10.084 7.771 ( 0.000 -6.631 0.000) 6.631 7.828 ( -0.000 1.197 -0.000) 1.197 8.126 ( 0.000 -8.963 0.000) 8.963 8.215 ( 0.000 -0.681 0.000) 0.681 8.587 ( -0.000 5.858 -0.000) 5.858 8.812 ( 0.000 -6.633 0.000) 6.633 8.952 ( 0.000 -0.375 0.000) 0.375 9.587 ( 0.000 -3.939 0.000) 3.939 9.644 ( -0.000 7.700 -0.000) 7.700 9.941 ( -0.000 1.791 -0.000) 1.791 9.992 ( 0.000 -7.001 0.000) 7.001 10.555 ( 0.000 -0.969 0.000) 0.969 10.827 ( -0.000 0.938 -0.000) 0.938 11.527 ( 0.000 -2.522 0.000) 2.522 11.746 ( -0.000 0.831 -0.000) 0.831 11.962 ( -0.000 2.648 -0.000) 2.648 12.913 ( 0.000 -1.639 0.000) 1.639 13.480 ( -0.000 10.062 -0.000) 10.062 13.944 ( -0.000 1.756 -0.000) 1.756 14.097 ( 0.000 -4.328 0.000) 4.328 14.526 ( -0.000 8.207 -0.000) 8.207 14.563 ( -0.000 0.920 -0.000) 0.920 15.029 ( 0.000 -1.440 0.000) 1.440 15.266 ( -0.000 4.999 -0.000) 4.999 15.548 ( 0.000 -0.646 0.000) 0.646 16.125 ( 0.000 -0.614 0.000) 0.614 16.205 ( 0.000 -2.717 0.000) 2.717 16.517 ( 0.000 -11.632 0.000) 11.632 19.402 ( -0.000 0.338 -0.000) 0.338 19.508 ( 0.000 -1.327 0.000) 1.327 ======================= Grid point 58 (31/117) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 0.000 -0.000) 0.000 1.786 ( -0.000 0.000 -0.000) 0.000 1.837 ( 0.000 -0.000 0.000) 0.000 1.936 ( -0.000 0.000 -0.000) 0.000 2.129 ( -0.000 0.000 -0.000) 0.000 2.234 ( -0.000 0.000 -0.000) 0.000 2.240 ( -0.000 0.000 -0.000) 0.000 2.318 ( -0.000 0.000 -0.000) 0.000 2.474 ( 0.000 -0.000 0.000) 0.000 2.505 ( -0.000 0.000 -0.000) 0.000 2.599 ( -0.000 0.000 -0.000) 0.000 2.618 ( 0.000 -0.000 0.000) 0.000 2.738 ( -0.000 0.000 -0.000) 0.000 2.911 ( -0.000 0.000 -0.000) 0.000 3.046 ( 0.000 -0.000 0.000) 0.000 3.063 ( -0.000 0.000 -0.000) 0.000 3.120 ( -0.000 0.000 -0.000) 0.000 3.273 ( -0.000 0.000 -0.000) 0.000 3.568 ( -0.000 0.000 -0.000) 0.000 3.705 ( -0.000 0.000 -0.000) 0.000 3.716 ( -0.000 0.000 -0.000) 0.000 3.810 ( -0.000 0.000 -0.000) 0.000 3.908 ( -0.000 0.000 -0.000) 0.000 4.057 ( -0.000 0.000 -0.000) 0.000 4.066 ( -0.000 0.000 -0.000) 0.000 4.190 ( -0.000 0.000 -0.000) 0.000 4.513 ( -0.000 0.000 -0.000) 0.000 4.611 ( -0.000 0.000 -0.000) 0.000 4.752 ( -0.000 0.000 -0.000) 0.000 5.116 ( -0.000 0.000 -0.000) 0.000 5.268 ( -0.000 0.000 -0.000) 0.000 5.440 ( -0.000 0.000 -0.000) 0.000 5.764 ( -0.000 0.000 -0.000) 0.000 5.808 ( -0.000 0.000 -0.000) 0.000 5.878 ( -0.000 0.000 -0.000) 0.000 6.347 ( -0.000 0.000 -0.000) 0.000 6.470 ( -0.000 0.000 -0.000) 0.000 6.561 ( -0.000 0.000 -0.000) 0.000 6.786 ( -0.000 0.000 -0.000) 0.000 6.911 ( -0.000 0.000 -0.000) 0.000 7.210 ( -0.000 0.000 -0.000) 0.000 7.392 ( -0.000 0.000 -0.000) 0.000 7.710 ( -0.000 0.000 -0.000) 0.000 7.846 ( -0.000 0.000 -0.000) 0.000 8.033 ( -0.000 0.000 -0.000) 0.000 8.209 ( -0.000 0.000 -0.000) 0.000 8.683 ( 0.000 -0.000 0.000) 0.000 8.709 ( -0.000 0.000 -0.000) 0.000 8.947 ( -0.000 0.000 -0.000) 0.000 9.552 ( -0.000 0.000 -0.000) 0.000 9.738 ( -0.000 0.000 -0.000) 0.000 9.903 ( -0.000 0.000 -0.000) 0.000 9.959 ( -0.000 0.000 -0.000) 0.000 10.548 ( -0.000 0.000 -0.000) 0.000 10.834 ( -0.000 0.000 -0.000) 0.000 11.502 ( -0.000 0.000 -0.000) 0.000 11.755 ( -0.000 0.000 -0.000) 0.000 11.987 ( -0.000 0.000 -0.000) 0.000 12.899 ( -0.000 0.000 -0.000) 0.000 13.579 ( -0.000 0.000 -0.000) 0.000 13.976 ( -0.000 0.000 -0.000) 0.000 14.040 ( -0.000 0.000 -0.000) 0.000 14.570 ( -0.000 0.000 -0.000) 0.000 14.611 ( -0.000 0.000 -0.000) 0.000 15.005 ( -0.000 0.000 -0.000) 0.000 15.273 ( -0.000 0.000 -0.000) 0.000 15.589 ( 0.000 -0.000 0.000) 0.000 16.122 ( -0.000 0.000 -0.000) 0.000 16.179 ( -0.000 0.000 -0.000) 0.000 16.397 ( -0.000 0.000 -0.000) 0.000 19.405 ( -0.000 0.000 -0.000) 0.000 19.496 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -2.794 0.000 26.650) 26.796 0.546 ( -6.505 0.000 26.420) 27.209 1.050 ( -0.340 0.000 51.442) 51.443 1.408 ( 6.426 -0.000 -15.161) 16.466 1.525 ( 2.628 -0.000 -20.785) 20.950 2.091 ( -3.726 0.000 6.844) 7.793 2.296 ( -0.783 0.000 1.568) 1.752 2.440 ( 0.264 -0.000 4.341) 4.349 2.592 ( -1.550 0.000 -4.190) 4.467 2.639 ( -0.967 0.000 -5.135) 5.226 2.703 ( 0.058 -0.000 3.600) 3.600 2.721 ( 3.160 -0.000 0.557) 3.209 2.796 ( -7.114 0.000 -0.424) 7.127 2.952 ( 3.211 -0.000 -0.029) 3.211 2.984 ( 1.662 -0.000 -20.300) 20.368 3.105 ( 2.117 -0.000 -7.688) 7.974 3.204 ( -7.349 0.000 0.075) 7.349 3.277 ( 6.079 -0.000 -5.055) 7.906 3.458 ( -6.674 0.000 0.858) 6.729 3.557 ( 0.096 -0.000 -5.266) 5.267 3.626 ( 2.284 -0.000 2.277) 3.225 3.725 ( 0.480 -0.000 -1.079) 1.181 4.003 ( 2.427 -0.000 7.960) 8.321 4.043 ( 7.457 -0.000 3.892) 8.412 4.079 ( -4.253 0.000 3.400) 5.445 4.340 ( -1.053 0.000 -8.339) 8.405 4.631 ( 1.709 -0.000 0.288) 1.733 4.671 ( -0.153 0.000 -2.016) 2.022 4.956 ( -2.921 0.000 2.813) 4.055 5.070 ( 7.946 -0.000 -0.922) 7.999 5.274 ( -6.074 0.000 9.457) 11.240 5.374 ( -1.818 0.000 2.054) 2.743 6.090 ( 7.259 -0.000 1.909) 7.505 6.202 ( -4.370 0.000 3.295) 5.473 6.215 ( -0.766 0.000 -5.332) 5.387 6.413 ( -3.717 0.000 4.652) 5.955 6.597 ( 7.025 -0.000 -0.362) 7.035 6.786 ( 1.527 -0.000 4.300) 4.563 6.998 ( 0.348 -0.000 2.803) 2.825 7.282 ( 4.118 -0.000 -5.575) 6.931 7.309 ( 4.266 -0.000 -1.311) 4.463 7.644 ( -9.053 0.000 -14.096) 16.753 7.863 ( 2.685 -0.000 11.210) 11.527 8.223 ( -14.566 0.000 3.732) 15.037 8.344 ( -2.697 0.000 1.353) 3.017 8.478 ( 36.914 -0.000 0.877) 36.925 8.610 ( -6.646 0.000 -11.763) 13.511 8.663 ( -2.283 0.000 -4.049) 4.648 9.028 ( 7.947 -0.000 12.077) 14.457 9.524 ( -8.319 0.000 -8.978) 12.239 10.028 ( 3.115 -0.000 5.176) 6.041 10.291 ( -0.493 0.000 10.304) 10.315 10.467 ( -3.794 0.000 -13.678) 14.194 10.747 ( 6.376 -0.000 -10.972) 12.690 11.202 ( -30.848 0.000 11.167) 32.807 11.565 ( 13.852 -0.000 -5.935) 15.070 11.633 ( 9.576 -0.000 7.928) 12.432 11.798 ( -11.909 0.000 -0.050) 11.909 12.938 ( -1.835 0.000 0.877) 2.034 12.986 ( 1.967 -0.000 -0.972) 2.194 14.033 ( -6.933 0.000 0.771) 6.976 14.064 ( 1.166 -0.000 -0.443) 1.247 14.304 ( 1.209 -0.000 0.355) 1.260 14.316 ( -1.033 0.000 -0.124) 1.040 14.736 ( -1.043 0.000 1.281) 1.652 14.820 ( 1.034 -0.000 -2.021) 2.270 15.865 ( -16.551 0.000 3.067) 16.833 16.035 ( 5.715 -0.000 -3.785) 6.855 16.485 ( -13.672 0.000 1.330) 13.736 16.533 ( 65.918 -0.000 -0.703) 65.922 19.669 ( 5.938 -0.000 0.895) 6.005 19.713 ( -35.777 0.000 -0.863) 35.787 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 13.875 -6.315 15.804) 21.958 0.704 ( 9.835 -15.425 18.648) 26.123 1.368 ( 20.352 -10.753 41.094) 47.102 1.531 ( 6.292 -0.956 -15.422) 16.683 1.600 ( 6.058 -4.946 -19.107) 20.646 2.004 ( -5.389 -1.027 7.368) 9.186 2.250 ( -4.654 0.148 0.746) 4.716 2.432 ( -0.834 1.428 4.645) 4.930 2.549 ( -2.240 0.365 -0.581) 2.342 2.596 ( 0.462 8.060 -0.595) 8.095 2.690 ( -3.728 0.754 2.663) 4.643 2.722 ( -2.621 -0.585 -0.765) 2.792 2.753 ( -1.534 -4.624 -0.804) 4.938 2.923 ( -3.674 -1.163 -0.949) 3.969 3.034 ( 3.830 -2.485 -17.059) 17.660 3.083 ( -3.911 0.072 -4.740) 6.146 3.139 ( 2.006 -2.323 -8.036) 8.602 3.328 ( -2.034 0.013 -1.085) 2.305 3.333 ( -4.546 0.627 -2.631) 5.290 3.565 ( 2.759 3.046 -4.216) 5.888 3.657 ( 2.840 3.376 2.523) 5.082 3.723 ( 0.888 3.121 -0.709) 3.322 4.003 ( -4.640 0.149 0.203) 4.647 4.044 ( 2.207 0.443 6.226) 6.621 4.283 ( 14.000 2.361 -3.267) 14.569 4.377 ( 5.476 0.137 -7.945) 9.650 4.652 ( -0.292 3.077 2.203) 3.795 4.693 ( 2.439 1.426 -1.449) 3.175 4.956 ( 5.276 -0.016 -1.904) 5.609 5.139 ( -4.692 -3.640 -0.297) 5.946 5.211 ( -2.614 -5.456 4.207) 7.369 5.559 ( 18.705 2.005 -3.789) 19.190 6.106 ( -6.081 0.638 -4.892) 7.831 6.149 ( -1.176 1.812 4.838) 5.299 6.240 ( 11.407 0.413 -0.127) 11.416 6.392 ( 0.925 0.037 3.955) 4.062 6.714 ( 5.614 1.477 2.030) 6.150 6.810 ( 1.904 9.727 -1.647) 10.048 7.107 ( 18.150 7.914 13.949) 24.220 7.285 ( -2.933 0.100 -1.692) 3.387 7.332 ( 2.536 6.707 0.431) 7.184 7.516 ( -8.219 -13.375 1.011) 15.731 7.792 ( -8.945 -0.320 7.912) 11.946 7.943 ( -11.513 -2.404 -2.654) 12.057 8.401 ( 7.188 0.638 2.843) 7.756 8.581 ( 3.047 10.424 -5.680) 12.256 8.737 ( 8.550 -1.427 -7.027) 11.159 9.067 ( 20.624 -0.624 -3.223) 20.883 9.166 ( 9.079 0.301 -1.112) 9.152 9.408 ( -3.382 -4.278 -12.514) 13.650 10.025 ( 0.873 16.832 5.104) 17.611 10.142 ( 2.536 12.334 9.493) 15.770 10.521 ( -1.409 -10.835 -8.395) 13.779 10.601 ( -21.311 0.620 4.239) 21.737 10.940 ( 6.336 7.407 0.915) 9.790 11.462 ( -18.491 1.659 3.455) 18.884 11.764 ( 9.113 5.300 4.589) 11.497 11.903 ( 12.763 -7.430 -4.097) 15.326 12.854 ( -7.442 0.165 -0.215) 7.447 12.991 ( -2.110 -2.942 -0.708) 3.689 14.012 ( 5.281 1.857 3.584) 6.647 14.147 ( 6.334 -1.275 0.073) 6.461 14.299 ( 0.248 0.566 -0.800) 1.011 14.330 ( 1.391 -0.671 0.688) 1.690 14.785 ( 4.362 -2.574 0.215) 5.070 14.852 ( 0.102 -4.794 -0.150) 4.797 15.488 ( -24.702 -11.325 17.300) 32.214 15.898 ( -18.592 -1.364 -4.215) 19.113 16.423 ( 5.618 2.140 -5.652) 8.251 17.057 ( -0.764 2.898 -3.298) 4.456 19.403 ( 2.704 -0.096 0.300) 2.722 19.741 ( 2.694 1.896 5.312) 6.251 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 16.225 -7.895 6.138) 19.059 1.085 ( 14.757 -17.227 8.054) 24.071 1.521 ( -3.939 -0.460 -14.067) 14.616 1.772 ( 8.003 -8.686 -15.450) 19.447 1.867 ( 17.577 -9.777 27.263) 33.879 2.013 ( 3.832 -4.241 9.611) 11.182 2.147 ( -6.941 -0.400 -0.339) 6.960 2.404 ( -0.707 2.432 3.478) 4.302 2.472 ( -6.284 3.295 2.500) 7.523 2.538 ( -3.977 3.768 1.212) 5.611 2.549 ( -4.986 3.656 -0.746) 6.228 2.658 ( -2.961 -0.314 -2.540) 3.914 2.754 ( -2.693 -1.814 -0.182) 3.252 2.894 ( -1.361 2.067 2.167) 3.289 3.060 ( 1.168 -1.370 -5.188) 5.492 3.106 ( -0.154 -1.795 -8.203) 8.398 3.124 ( -7.501 -5.850 -3.823) 10.252 3.232 ( -0.318 -0.382 0.784) 0.928 3.406 ( 8.742 -1.392 -13.180) 15.876 3.564 ( 2.735 7.802 -3.325) 8.911 3.664 ( 1.584 3.897 1.591) 4.497 3.709 ( 1.494 3.610 0.879) 4.005 3.933 ( -3.864 -1.804 -0.333) 4.278 4.082 ( 1.804 0.349 3.551) 3.998 4.473 ( 11.672 3.879 0.686) 12.319 4.489 ( 8.397 2.171 -5.949) 10.518 4.606 ( -0.040 1.609 -1.352) 2.102 4.722 ( 1.812 -1.051 -0.946) 2.298 5.053 ( 0.534 1.675 9.217) 9.383 5.134 ( 7.611 -0.994 -7.876) 10.997 5.241 ( -0.353 -5.815 -3.366) 6.728 5.711 ( -0.831 1.024 -4.110) 4.316 6.095 ( 7.732 3.329 -1.766) 8.601 6.168 ( 4.281 0.031 1.646) 4.587 6.439 ( 5.304 3.782 5.170) 8.317 6.474 ( 14.949 -0.234 -3.035) 15.256 6.702 ( 2.054 5.661 3.074) 6.761 6.834 ( 4.211 2.172 2.331) 5.281 7.237 ( -0.435 1.274 -2.417) 2.767 7.272 ( -1.866 3.369 8.513) 9.343 7.351 ( 8.315 4.914 5.850) 11.292 7.523 ( -0.634 -2.523 6.710) 7.197 7.760 ( 7.568 0.382 1.914) 7.815 7.901 ( 2.070 -4.612 -3.632) 6.224 8.387 ( -5.477 5.718 -0.856) 7.964 8.609 ( 6.282 1.212 3.699) 7.390 8.820 ( 1.720 8.231 2.344) 8.730 9.070 ( -0.601 8.332 -8.414) 11.857 9.374 ( 4.983 1.037 -16.525) 17.291 9.547 ( 11.065 -8.549 -0.488) 13.991 9.990 ( 12.290 12.879 0.227) 17.803 10.098 ( -9.653 0.764 11.397) 14.955 10.216 ( -12.328 -1.229 2.467) 12.633 10.636 ( 4.311 -1.938 -9.352) 10.478 10.990 ( 1.467 -0.311 -0.391) 1.550 11.121 ( -16.667 3.215 4.509) 17.563 11.896 ( 12.725 8.356 5.814) 16.295 12.154 ( 11.821 -2.728 -4.988) 13.118 12.705 ( -9.049 0.342 -0.813) 9.092 12.989 ( -2.915 -6.780 -0.084) 7.380 14.133 ( 9.336 2.357 1.731) 9.783 14.254 ( 3.902 -2.314 -0.715) 4.592 14.313 ( 0.906 -1.480 -1.334) 2.189 14.375 ( 4.105 1.101 1.376) 4.468 14.855 ( -1.450 -4.985 1.098) 5.307 14.930 ( 5.009 -2.322 1.580) 5.743 15.278 ( -15.374 -13.010 13.655) 24.333 15.596 ( -16.994 -3.791 -7.957) 19.144 16.498 ( 5.765 4.012 -3.768) 7.971 16.918 ( -7.698 2.892 4.322) 9.290 19.515 ( 7.782 1.292 -6.654) 10.320 19.739 ( -0.551 2.908 5.888) 6.590 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 9.845 -6.782 1.285) 12.024 1.391 ( 2.003 -6.526 -8.842) 11.170 1.553 ( 11.928 -8.820 2.199) 14.997 1.919 ( -2.651 -6.611 -6.561) 9.684 1.976 ( 0.106 3.043 5.484) 6.273 2.068 ( 0.352 -2.283 -0.577) 2.381 2.234 ( -0.286 -6.022 11.581) 13.056 2.310 ( -3.364 2.520 -0.623) 4.249 2.397 ( -1.938 2.484 -0.462) 3.184 2.438 ( -4.018 -0.623 2.276) 4.660 2.491 ( 0.618 4.048 1.746) 4.452 2.638 ( -5.578 -3.113 1.640) 6.595 2.706 ( 2.363 -4.100 0.454) 4.754 2.867 ( 0.847 3.952 4.399) 5.974 2.995 ( -4.564 -2.515 -2.892) 5.960 3.071 ( -0.886 0.035 -1.393) 1.651 3.179 ( 0.017 -6.527 -4.251) 7.789 3.243 ( 2.286 3.500 1.283) 4.372 3.520 ( 1.838 9.900 -3.450) 10.644 3.546 ( 5.090 0.636 -7.049) 8.718 3.674 ( 1.117 -0.849 -1.028) 1.739 3.725 ( 3.587 -0.802 1.410) 3.937 3.908 ( -1.069 -1.429 0.360) 1.821 4.093 ( -0.226 1.338 0.800) 1.575 4.481 ( -1.580 3.903 -2.013) 4.666 4.624 ( 7.007 1.234 -1.331) 7.238 4.707 ( 7.360 -0.513 3.029) 7.976 4.799 ( 6.960 -2.526 -4.600) 8.717 5.050 ( 1.616 2.856 0.746) 3.365 5.268 ( 6.776 0.068 -4.958) 8.396 5.308 ( 4.593 -2.584 -2.163) 5.697 5.618 ( -6.173 0.763 -5.010) 7.987 6.198 ( 4.722 2.798 6.744) 8.695 6.278 ( 7.177 -2.244 -0.361) 7.529 6.459 ( 3.750 8.704 -0.341) 9.484 6.724 ( 13.013 -1.468 -4.897) 13.981 6.787 ( 6.020 -2.999 7.003) 9.710 6.883 ( 5.532 0.605 2.268) 6.010 7.169 ( -4.029 2.904 2.607) 5.609 7.265 ( 4.953 4.072 -3.913) 7.512 7.435 ( 3.760 -0.734 9.070) 9.846 7.537 ( 3.508 5.199 2.303) 6.682 7.955 ( 12.427 2.586 5.862) 13.982 7.990 ( 1.351 0.175 -3.652) 3.898 8.274 ( 1.344 2.097 -2.002) 3.196 8.659 ( -8.542 4.301 3.081) 10.048 8.690 ( 0.773 2.406 5.835) 6.359 8.968 ( 0.330 14.298 -12.692) 19.122 9.327 ( -13.943 -3.763 -1.959) 14.574 9.665 ( 0.709 -3.615 -4.954) 6.174 9.949 ( -8.213 -3.890 11.430) 14.603 10.078 ( 10.574 8.365 -4.339) 14.164 10.291 ( 10.134 -6.585 -5.687) 13.357 10.696 ( 6.768 9.841 -4.499) 12.763 10.842 ( -8.722 0.409 2.359) 9.044 11.064 ( -0.085 -6.232 1.771) 6.479 12.051 ( 13.101 8.528 7.287) 17.247 12.334 ( 7.839 0.485 -3.144) 8.460 12.564 ( -5.243 1.438 -1.842) 5.741 13.006 ( -4.151 -10.207 0.108) 11.020 14.256 ( 6.367 1.475 -0.194) 6.538 14.317 ( 2.293 -0.623 -2.283) 3.295 14.352 ( 1.545 -3.145 0.351) 3.522 14.446 ( 6.292 3.767 1.046) 7.408 14.847 ( -4.205 -4.025 3.975) 7.049 15.000 ( 0.012 -1.940 4.981) 5.346 15.197 ( -7.160 -9.509 3.771) 12.487 15.392 ( -10.519 -4.579 -7.761) 13.851 16.539 ( 3.811 4.124 -1.302) 5.764 16.796 ( -4.325 2.156 1.738) 5.136 19.606 ( 5.131 1.577 -4.943) 7.297 19.699 ( -1.587 2.502 4.471) 5.363 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 3.193 -5.442 -3.023) 6.996 1.477 ( 5.438 1.613 -2.545) 6.217 1.800 ( -2.833 -6.642 -5.232) 8.917 1.882 ( -5.647 4.269 4.399) 8.335 1.917 ( 6.649 -7.837 3.927) 11.002 2.161 ( 4.191 -0.704 0.473) 4.276 2.225 ( -5.619 1.462 -0.127) 5.807 2.247 ( 0.453 -4.959 -2.736) 5.682 2.313 ( -3.624 0.837 3.352) 5.007 2.388 ( -0.729 0.899 -0.989) 1.523 2.448 ( -3.635 3.753 0.027) 5.225 2.550 ( -2.371 2.240 -1.007) 3.414 2.839 ( 0.805 3.335 6.854) 7.665 2.920 ( 4.667 -11.477 0.830) 12.417 2.982 ( 0.192 -3.117 -0.338) 3.141 3.060 ( -0.734 -1.735 -0.721) 2.017 3.212 ( -0.532 -4.091 -0.882) 4.219 3.232 ( 1.290 7.182 1.156) 7.387 3.457 ( 1.001 8.346 -0.998) 8.465 3.556 ( -0.168 3.353 0.347) 3.376 3.698 ( 2.345 -0.084 -1.050) 2.571 3.844 ( 2.568 -8.550 -1.305) 9.022 3.908 ( 0.525 0.984 0.677) 1.305 4.055 ( -1.831 2.640 0.761) 3.302 4.425 ( -1.572 0.820 -2.456) 3.029 4.694 ( 2.617 1.712 -2.407) 3.946 4.794 ( 3.784 -0.719 3.265) 5.049 4.939 ( 2.128 -1.671 -1.226) 2.971 5.075 ( 7.315 2.501 -5.526) 9.502 5.363 ( 4.077 0.261 -0.836) 4.170 5.413 ( 5.024 -1.773 -4.569) 7.018 5.521 ( -3.599 -0.566 -5.042) 6.220 6.162 ( -4.308 3.011 9.479) 10.839 6.406 ( 0.918 6.809 -1.143) 6.965 6.498 ( 9.026 -6.281 -0.525) 11.009 6.845 ( 2.836 -1.020 2.637) 4.005 6.955 ( 6.419 -3.835 2.416) 7.858 7.032 ( 8.159 1.329 -2.712) 8.700 7.119 ( 2.126 2.032 1.479) 3.292 7.298 ( 2.070 2.685 2.164) 4.022 7.513 ( -1.217 -3.082 8.554) 9.173 7.571 ( 10.705 7.994 -4.867) 14.219 7.904 ( -3.400 1.114 -4.149) 5.479 8.113 ( 6.437 3.226 5.824) 9.261 8.381 ( 6.369 3.123 0.515) 7.112 8.436 ( -7.050 5.205 -1.733) 8.933 8.683 ( -1.990 1.342 -5.570) 6.065 8.806 ( -10.279 1.848 1.781) 10.595 9.100 ( -7.585 -0.276 5.812) 9.560 9.659 ( -11.493 -5.106 4.793) 13.458 9.914 ( 3.936 -5.790 -5.848) 9.122 10.204 ( 8.925 7.176 -6.500) 13.168 10.441 ( 4.692 2.003 -5.510) 7.509 10.693 ( 2.729 4.215 5.920) 7.762 10.805 ( 2.576 2.675 -8.336) 9.125 11.132 ( 0.747 -7.415 3.751) 8.343 12.176 ( 3.388 0.293 5.559) 6.516 12.364 ( -1.352 0.086 7.062) 7.191 12.566 ( 10.424 9.704 -6.802) 15.783 13.014 ( -6.440 -11.710 -0.514) 13.374 14.321 ( 1.721 -1.355 -0.801) 2.332 14.345 ( 0.350 -1.609 -3.005) 3.426 14.408 ( 3.663 2.097 1.001) 4.338 14.515 ( 5.849 4.565 -0.382) 7.430 14.798 ( -5.049 -2.173 6.138) 8.239 14.989 ( -3.486 -2.747 7.902) 9.063 15.183 ( -2.859 -5.260 -4.057) 7.232 15.299 ( -3.379 -2.119 -5.384) 6.700 16.561 ( 2.505 2.483 -0.272) 3.537 16.730 ( -2.150 1.096 0.101) 2.416 19.653 ( -0.065 1.333 0.902) 1.610 19.664 ( 1.556 0.993 -1.003) 2.100 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.612 2.151 0.296) 3.397 1.574 ( 5.388 -4.619 -1.483) 7.250 1.736 ( -3.366 0.134 1.267) 3.599 1.745 ( -7.481 2.198 -4.737) 9.124 2.090 ( 3.510 -1.837 1.100) 4.111 2.112 ( -2.566 0.923 -0.574) 2.787 2.233 ( -1.734 0.219 3.922) 4.294 2.258 ( 0.221 0.540 -0.410) 0.713 2.346 ( 0.013 2.714 1.328) 3.021 2.360 ( 3.146 -6.515 -0.207) 7.238 2.400 ( 1.232 -2.180 -2.009) 3.210 2.491 ( -1.430 4.026 -2.909) 5.168 2.826 ( 0.856 4.052 7.506) 8.572 2.957 ( 1.413 3.464 -3.012) 4.803 3.069 ( -2.243 -9.247 -2.218) 9.770 3.077 ( -0.257 -1.553 -2.024) 2.564 3.175 ( 1.032 6.617 1.118) 6.790 3.263 ( 1.825 -4.477 2.472) 5.430 3.404 ( -1.911 3.989 5.740) 7.247 3.519 ( -1.021 1.163 -1.186) 1.950 3.733 ( 1.732 1.509 -1.831) 2.938 3.897 ( -1.037 1.452 2.279) 2.894 3.921 ( -0.949 -6.007 -2.295) 6.499 4.014 ( -0.190 1.457 1.572) 2.151 4.424 ( 1.016 -2.343 -2.227) 3.389 4.687 ( -0.322 2.688 -3.193) 4.186 4.852 ( 1.724 0.209 2.337) 2.911 4.923 ( -2.074 -0.385 0.151) 2.114 5.190 ( 4.841 -0.916 -7.361) 8.858 5.388 ( -2.084 -0.205 0.686) 2.203 5.448 ( 3.083 3.400 -5.001) 6.788 5.528 ( 0.447 -4.180 -6.355) 7.620 6.073 ( -6.177 -1.912 11.057) 12.809 6.361 ( 1.033 4.019 1.693) 4.482 6.649 ( 2.349 -2.665 -3.921) 5.291 6.879 ( -0.112 -0.403 -2.380) 2.417 7.009 ( -4.398 5.015 7.126) 9.761 7.040 ( -1.697 -4.892 -0.954) 5.266 7.155 ( -2.303 1.871 2.356) 3.789 7.294 ( -1.518 -0.869 6.563) 6.792 7.456 ( -4.179 -0.182 -1.546) 4.460 7.763 ( 14.259 3.093 -5.299) 15.523 7.945 ( 4.697 -5.006 0.780) 6.909 8.122 ( -0.633 -2.215 0.753) 2.424 8.291 ( 2.407 10.230 -5.927) 12.065 8.390 ( -10.443 -2.911 4.351) 11.681 8.640 ( 2.741 -1.673 -0.654) 3.277 8.720 ( -0.567 -0.079 -0.852) 1.027 9.103 ( 5.532 1.627 8.635) 10.383 9.488 ( -12.247 -6.796 9.466) 16.905 10.009 ( 0.626 4.311 -16.694) 17.253 10.229 ( 3.075 -0.730 -4.984) 5.901 10.498 ( 6.588 5.051 3.675) 9.079 10.687 ( -6.143 -6.827 -3.063) 9.681 10.800 ( 3.621 9.695 -5.027) 11.505 11.205 ( 0.261 -4.399 3.214) 5.454 12.135 ( -12.922 -13.003 4.388) 18.849 12.405 ( 6.632 6.503 8.192) 12.385 12.655 ( 11.402 12.393 -4.207) 17.358 12.989 ( -7.543 -10.208 -1.700) 12.806 14.345 ( 0.122 -0.768 -1.097) 1.345 14.353 ( -1.580 -3.379 -2.631) 4.565 14.430 ( 1.975 4.042 1.139) 4.641 14.559 ( 3.210 3.139 -3.683) 5.807 14.735 ( -3.408 0.888 9.197) 9.848 14.963 ( -1.771 -0.229 7.249) 7.465 15.180 ( -1.029 -2.895 -5.778) 6.544 15.293 ( 2.611 1.517 -3.648) 4.736 16.585 ( 1.775 -0.125 -0.220) 1.793 16.694 ( -1.871 -0.107 -0.169) 1.881 19.621 ( -1.771 0.440 1.499) 2.362 19.699 ( 1.930 -0.495 -1.498) 2.493 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -6.930 1.288 -5.045) 8.668 1.560 ( -4.493 -0.333 -7.860) 9.059 1.631 ( 2.132 5.524 4.847) 7.652 1.773 ( 2.474 -1.426 4.498) 5.328 2.006 ( -2.581 8.834 -2.015) 9.421 2.115 ( -0.113 4.914 5.712) 7.536 2.211 ( -0.580 -0.298 -1.214) 1.378 2.269 ( 3.087 -4.648 -0.840) 5.643 2.348 ( -0.020 0.393 -0.343) 0.522 2.433 ( -0.164 -2.829 -2.996) 4.123 2.460 ( 3.469 1.322 0.567) 3.756 2.527 ( 6.155 -5.026 0.388) 7.956 2.797 ( -1.004 4.287 8.078) 9.200 2.954 ( 2.168 4.818 -0.020) 5.284 3.009 ( -1.415 9.078 -1.211) 9.267 3.101 ( -1.197 -5.339 -2.804) 6.148 3.181 ( 0.484 -1.356 2.328) 2.737 3.320 ( 0.875 -2.538 -0.235) 2.695 3.333 ( -3.851 -0.350 5.524) 6.743 3.494 ( -3.012 -2.330 -5.105) 6.369 3.719 ( -0.299 3.594 -1.895) 4.073 3.841 ( -3.755 0.888 1.628) 4.188 3.954 ( -0.204 -4.850 -3.564) 6.022 4.019 ( 1.097 0.323 3.337) 3.527 4.473 ( 0.507 -3.492 -2.284) 4.203 4.646 ( -1.506 1.936 -2.373) 3.413 4.836 ( -2.931 1.180 2.926) 4.306 4.900 ( -1.681 -1.529 -0.924) 2.453 5.203 ( -5.244 -1.172 -7.745) 9.426 5.342 ( -0.159 -0.679 1.569) 1.717 5.483 ( 4.428 4.044 -5.228) 7.956 5.548 ( -1.955 -4.784 -8.108) 9.615 6.002 ( -7.780 -5.685 11.402) 14.929 6.369 ( 0.923 2.573 1.091) 2.944 6.626 ( -4.346 -0.591 -3.583) 5.664 6.800 ( -12.276 4.633 7.406) 15.067 6.827 ( -6.152 -0.752 -2.406) 6.649 7.021 ( -5.639 -1.967 0.749) 6.019 7.079 ( -2.192 0.875 0.422) 2.397 7.295 ( -1.646 -4.345 4.778) 6.664 7.366 ( -6.496 0.666 -1.396) 6.677 7.805 ( -5.141 0.734 2.707) 5.857 8.092 ( -1.650 -10.419 2.134) 10.762 8.204 ( 3.990 1.593 1.015) 4.415 8.256 ( -2.272 -1.590 4.314) 5.129 8.370 ( 10.884 -1.994 -13.009) 17.078 8.650 ( -3.269 -4.854 -2.232) 6.263 8.795 ( 5.792 -3.312 7.168) 9.793 9.251 ( 13.309 4.102 5.956) 15.147 9.442 ( 2.311 -2.592 2.596) 4.336 9.805 ( -11.512 10.703 -10.108) 18.688 10.313 ( -2.659 -8.262 -5.535) 10.294 10.565 ( 2.971 -0.754 5.553) 6.343 10.630 ( -2.940 -3.403 -8.772) 9.857 10.751 ( 1.788 10.045 -0.739) 10.230 11.205 ( -4.027 -2.470 1.977) 5.121 12.026 ( -14.697 -15.382 5.610) 22.002 12.427 ( -0.166 3.212 2.138) 3.862 12.724 ( 9.543 11.848 0.026) 15.213 12.946 ( -4.637 -4.904 -2.379) 7.156 14.333 ( -2.373 -1.975 -2.615) 4.046 14.350 ( -1.529 -1.530 -0.722) 2.280 14.413 ( -0.742 2.227 1.988) 3.076 14.543 ( -2.635 1.259 -6.659) 7.272 14.705 ( 2.134 4.869 11.703) 12.854 14.946 ( 1.032 4.431 6.055) 7.574 15.179 ( -0.150 0.726 -5.002) 5.057 15.353 ( 7.327 3.340 -3.229) 8.676 16.627 ( 1.598 -2.736 -0.830) 3.276 16.663 ( -2.297 -1.269 0.669) 2.708 19.588 ( -2.152 -0.237 0.035) 2.166 19.738 ( 1.464 -2.383 -0.138) 2.800 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -14.871 5.872 -5.794) 17.006 1.436 ( -9.260 10.372 3.730) 14.396 1.627 ( -3.066 4.640 -5.479) 7.807 1.788 ( 4.819 -1.300 5.069) 7.113 1.898 ( -3.499 9.054 -4.457) 10.681 2.115 ( 5.153 3.279 2.126) 6.467 2.226 ( 0.750 1.223 2.900) 3.236 2.347 ( -2.070 0.620 4.503) 4.994 2.378 ( 5.715 -1.704 -0.848) 6.024 2.427 ( -2.103 -2.625 1.755) 3.794 2.528 ( 3.202 -0.883 3.604) 4.902 2.659 ( 4.181 -3.440 0.162) 5.416 2.748 ( -0.033 1.501 2.832) 3.205 2.878 ( -1.190 7.172 5.282) 8.986 2.978 ( 3.485 5.016 -1.539) 6.299 3.110 ( -1.948 -3.385 -5.265) 6.555 3.186 ( -1.693 -2.811 1.760) 3.724 3.312 ( 2.373 7.377 -0.647) 7.776 3.367 ( 1.357 -5.273 -4.179) 6.864 3.444 ( -5.014 -6.634 -7.713) 11.342 3.665 ( -1.546 4.044 -1.717) 4.658 3.774 ( -4.046 -1.040 2.028) 4.643 3.975 ( -1.595 -3.387 -4.094) 5.547 4.053 ( 1.768 -0.601 3.828) 4.260 4.461 ( -5.390 -4.212 -2.145) 7.169 4.611 ( -1.307 -0.645 -1.340) 1.980 4.755 ( -4.850 1.103 0.678) 5.019 4.894 ( -3.390 -4.150 1.824) 5.661 5.053 ( -7.974 2.927 -5.649) 10.201 5.382 ( -0.970 -3.135 -0.642) 3.344 5.491 ( 1.142 2.668 -7.550) 8.089 5.565 ( 1.108 -5.620 -7.704) 9.600 5.917 ( -9.602 -5.378 10.700) 15.350 6.264 ( -8.527 3.439 0.831) 9.231 6.562 ( -8.917 -0.502 -3.843) 9.723 6.629 ( -0.879 0.636 3.085) 3.270 6.705 ( -8.168 -0.481 1.361) 8.294 6.939 ( -4.291 -1.561 5.761) 7.351 7.056 ( -1.326 -0.841 1.535) 2.196 7.221 ( -7.003 0.571 -1.423) 7.169 7.329 ( -0.729 -3.210 3.903) 5.105 7.673 ( -7.994 2.700 2.833) 8.901 8.026 ( -16.982 -13.586 12.234) 24.952 8.190 ( 1.756 5.593 -11.101) 12.554 8.353 ( 6.199 -0.864 5.249) 8.169 8.407 ( -7.238 -9.146 -1.515) 11.761 8.792 ( 7.202 -6.048 -1.916) 9.598 8.960 ( 9.630 -5.460 -1.234) 11.139 9.373 ( -9.908 8.763 -12.158) 17.966 9.419 ( 2.431 3.360 5.645) 7.005 9.732 ( 19.702 3.999 0.006) 20.104 10.225 ( -14.557 -11.672 0.992) 18.685 10.536 ( -7.744 0.134 1.254) 7.846 10.673 ( 6.767 3.404 -14.342) 16.219 10.776 ( 7.098 -0.971 7.247) 10.191 11.141 ( -4.870 -3.064 1.762) 6.017 11.916 ( -14.743 -14.995 5.537) 21.745 12.350 ( -7.018 -0.319 -2.224) 7.369 12.775 ( 7.405 9.006 0.847) 11.690 12.921 ( 0.203 1.560 -1.865) 2.440 14.297 ( -2.977 -0.342 -1.902) 3.550 14.319 ( -3.850 -1.857 -0.321) 4.287 14.374 ( -3.316 -0.989 2.501) 4.270 14.452 ( -4.581 2.502 -4.831) 7.112 14.739 ( 5.671 5.582 10.105) 12.862 14.928 ( 3.450 9.834 5.355) 11.717 15.138 ( -1.094 5.697 -3.105) 6.580 15.476 ( 11.317 4.078 -3.486) 12.524 16.614 ( -3.847 -1.602 -3.902) 5.708 16.706 ( 2.128 -4.680 4.339) 6.728 19.553 ( -2.063 -0.491 -1.951) 2.882 19.796 ( 1.586 -4.879 1.438) 5.328 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -14.748 7.742 4.611) 17.283 1.106 ( -14.143 17.115 12.166) 25.317 1.503 ( -5.774 2.613 -13.167) 14.612 1.707 ( -5.671 8.463 -13.396) 16.830 1.882 ( -12.813 6.810 17.977) 23.102 2.012 ( -1.293 6.231 10.680) 12.432 2.216 ( 4.441 1.927 3.173) 5.788 2.374 ( 5.513 -3.180 0.232) 6.368 2.430 ( -1.839 -3.369 4.866) 6.198 2.492 ( 3.395 -5.508 -0.651) 6.504 2.621 ( 6.658 -1.654 0.694) 6.895 2.724 ( 1.917 -0.513 0.318) 2.010 2.779 ( 1.941 1.664 -2.360) 3.479 2.871 ( 4.003 3.026 5.562) 7.491 3.008 ( 4.066 2.181 -3.559) 5.827 3.104 ( 0.098 -1.599 -5.403) 5.636 3.187 ( -1.213 2.007 -4.315) 4.911 3.208 ( -2.413 5.546 -14.429) 15.645 3.441 ( 1.778 -5.443 -5.982) 8.281 3.481 ( 2.171 -5.204 -0.020) 5.639 3.612 ( -1.458 1.883 0.324) 2.404 3.730 ( -3.389 -3.074 1.282) 4.751 3.958 ( -2.076 -1.657 -2.031) 3.344 4.072 ( -0.048 0.246 3.696) 3.705 4.386 ( -9.537 -8.754 -3.105) 13.312 4.603 ( -2.806 -0.973 -2.369) 3.799 4.688 ( -4.418 -4.078 -1.904) 6.306 4.764 ( -8.401 1.114 0.798) 8.512 4.987 ( 1.701 3.355 0.968) 3.884 5.285 ( -12.165 -3.852 -10.405) 16.464 5.485 ( -0.789 2.621 -0.325) 2.756 5.648 ( -0.908 -5.313 -9.574) 10.987 5.808 ( -4.986 -4.656 13.114) 14.782 6.113 ( -2.953 6.114 -1.714) 7.003 6.412 ( -8.504 -1.678 0.068) 8.668 6.543 ( -9.803 -4.637 0.912) 10.883 6.640 ( -2.157 1.188 0.798) 2.588 6.908 ( -4.881 -6.579 9.334) 12.419 7.048 ( -4.116 -2.982 0.487) 5.106 7.159 ( 4.971 5.203 5.452) 9.028 7.351 ( 1.752 -0.748 4.303) 4.706 7.506 ( -8.148 5.453 3.053) 10.269 7.825 ( -13.648 -6.443 2.625) 15.319 8.212 ( 1.968 -2.824 2.299) 4.139 8.316 ( -4.884 -3.022 -1.900) 6.050 8.515 ( 3.092 -6.391 2.021) 7.381 8.844 ( -6.247 2.058 -7.920) 10.295 8.978 ( -8.557 7.569 9.514) 14.866 9.136 ( -0.946 0.917 -17.371) 17.421 9.557 ( 6.317 -6.919 -4.505) 10.396 9.969 ( 4.230 1.450 2.334) 5.044 10.158 ( -0.276 -7.751 6.940) 10.408 10.395 ( -5.235 0.827 -1.003) 5.394 10.737 ( -0.676 -5.215 -9.000) 10.423 10.949 ( 11.566 -3.248 0.097) 12.014 11.175 ( 6.464 -3.371 5.136) 8.918 11.794 ( -15.532 -14.575 4.322) 21.734 12.202 ( -10.022 -0.051 -3.594) 10.647 12.831 ( 6.453 4.786 0.021) 8.034 12.922 ( 3.405 4.814 -1.650) 6.123 14.227 ( -4.693 1.200 0.679) 4.891 14.249 ( -8.038 -4.261 0.361) 9.105 14.317 ( -3.494 -0.318 -2.516) 4.318 14.372 ( -2.234 0.983 -0.624) 2.520 14.809 ( 4.602 2.149 6.792) 8.481 14.901 ( 3.984 12.139 7.086) 14.609 15.058 ( 6.408 18.024 3.964) 19.535 15.656 ( 14.714 4.770 -4.181) 16.023 16.534 ( -6.609 -0.625 -6.363) 9.196 16.770 ( -1.321 -4.611 7.243) 8.687 19.534 ( -0.008 -0.610 -4.106) 4.151 19.884 ( 1.730 -8.328 2.452) 8.852 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -9.371 5.767 21.481) 24.135 0.737 ( -13.082 14.421 19.731) 27.720 1.352 ( -23.750 9.078 31.291) 40.318 1.401 ( -5.569 4.410 -10.103) 12.350 1.566 ( -2.908 5.228 -19.442) 20.342 2.087 ( 3.221 -0.108 7.028) 7.731 2.273 ( 3.324 0.977 0.399) 3.487 2.430 ( -1.158 -2.304 5.537) 6.108 2.532 ( 6.526 -4.090 1.334) 7.816 2.595 ( 3.717 -4.914 -1.329) 6.303 2.697 ( 2.294 3.084 2.008) 4.337 2.722 ( -2.474 -0.182 -1.681) 2.996 2.840 ( 4.242 -2.413 -4.828) 6.865 2.882 ( 1.313 4.082 5.451) 6.936 3.036 ( -3.501 4.017 -19.718) 20.425 3.066 ( 4.960 2.665 -6.882) 8.892 3.168 ( 5.656 -0.347 -8.398) 10.131 3.221 ( 1.850 -0.255 0.623) 1.968 3.508 ( 2.041 -3.626 -5.308) 6.745 3.550 ( -1.053 -0.567 -3.309) 3.519 3.577 ( 0.435 -1.407 5.132) 5.340 3.717 ( -1.582 -3.295 -0.403) 3.677 3.956 ( 1.401 -0.189 3.469) 3.745 4.064 ( -1.291 -0.158 1.645) 2.097 4.264 ( -15.140 -8.461 -7.692) 18.973 4.456 ( -10.595 0.228 -5.977) 12.167 4.630 ( -1.397 0.605 -0.095) 1.526 4.748 ( -3.478 -2.147 -1.184) 4.255 4.983 ( 0.031 1.235 3.847) 4.041 5.064 ( -10.097 0.437 -10.448) 14.536 5.392 ( -6.296 3.719 7.087) 10.183 5.515 ( -10.680 0.920 0.684) 10.741 5.948 ( 7.447 -6.855 0.902) 10.161 6.098 ( 8.115 3.276 -2.468) 9.093 6.294 ( -6.414 -0.387 2.785) 7.003 6.462 ( -5.997 -5.968 6.420) 10.620 6.572 ( -3.349 0.386 -1.941) 3.890 6.874 ( -7.013 -1.038 0.095) 7.090 6.980 ( -7.036 -10.134 11.989) 17.203 7.237 ( 5.595 5.032 2.159) 7.828 7.292 ( -6.466 -0.145 -2.887) 7.083 7.522 ( 16.448 4.192 12.276) 20.948 7.780 ( 5.123 2.693 4.178) 7.138 8.260 ( -2.356 -3.445 -3.584) 5.502 8.278 ( -3.697 -6.379 0.696) 7.405 8.444 ( -7.610 5.786 -0.324) 9.565 8.738 ( -2.889 -1.440 1.018) 3.385 8.842 ( -3.433 7.030 3.004) 8.381 9.010 ( -11.016 -1.559 -16.613) 19.994 9.634 ( -2.867 -1.954 -5.772) 6.734 9.979 ( 0.513 -1.798 2.770) 3.342 10.228 ( -1.490 -8.116 10.430) 13.299 10.427 ( 7.105 -1.345 -5.320) 8.977 10.724 ( -5.705 -8.481 -7.040) 12.411 11.235 ( 14.019 -7.633 -3.761) 16.400 11.383 ( 10.750 -4.764 9.121) 14.881 11.644 ( -14.450 -7.660 -1.352) 16.410 12.009 ( -11.377 1.676 -1.767) 11.635 12.908 ( 5.004 1.050 0.355) 5.125 12.947 ( 4.237 4.267 -2.005) 6.339 14.119 ( -6.007 0.828 -1.433) 6.231 14.152 ( -9.206 -7.306 0.666) 11.772 14.283 ( -0.254 -0.332 -1.210) 1.280 14.338 ( -1.542 -0.023 0.109) 1.546 14.809 ( -2.720 3.685 0.291) 4.589 14.834 ( -1.335 4.312 0.036) 4.515 15.270 ( 45.939 26.993 32.094) 62.201 15.875 ( 17.232 7.073 -4.855) 19.250 16.365 ( -13.062 0.833 -7.554) 15.112 16.711 ( -10.794 -2.124 8.175) 13.706 19.571 ( 4.264 -0.793 -3.837) 5.791 19.979 ( -3.660 -11.786 -2.945) 12.688 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 14.819 -0.000 14.328) 20.613 0.954 ( 20.585 -0.000 5.070) 21.200 1.526 ( -3.314 0.000 -16.251) 16.586 1.684 ( 8.281 -0.000 -16.421) 18.391 1.759 ( 23.095 -0.000 32.178) 39.608 1.994 ( 2.807 -0.000 8.940) 9.370 2.143 ( -7.327 0.000 -0.288) 7.333 2.440 ( 0.242 -0.000 5.615) 5.620 2.491 ( -5.057 0.000 4.733) 6.926 2.541 ( -11.854 0.000 -1.404) 11.937 2.641 ( -2.958 0.000 -3.219) 4.371 2.666 ( -2.068 0.000 -1.321) 2.454 2.724 ( -0.049 0.000 0.621) 0.623 2.900 ( 2.050 -0.000 2.923) 3.571 3.035 ( -2.596 0.000 -12.662) 12.925 3.047 ( 0.575 -0.000 -8.435) 8.454 3.107 ( -5.604 0.000 -3.056) 6.383 3.227 ( -0.379 0.000 0.544) 0.663 3.396 ( 6.850 -0.000 -11.372) 13.276 3.634 ( 3.640 -0.000 -6.002) 7.019 3.731 ( -1.284 0.000 -1.292) 1.821 3.732 ( 3.756 -0.000 2.684) 4.616 3.908 ( -5.523 0.000 1.272) 5.667 4.087 ( 1.874 -0.000 4.050) 4.463 4.508 ( 9.947 -0.000 -5.324) 11.282 4.511 ( 11.558 -0.000 -3.162) 11.983 4.653 ( -4.708 0.000 -1.021) 4.818 4.683 ( 1.459 -0.000 -0.068) 1.460 5.107 ( 9.093 -0.000 2.480) 9.425 5.116 ( 2.211 -0.000 -7.744) 8.054 5.150 ( 1.095 -0.000 4.938) 5.058 5.720 ( -1.760 0.000 -4.432) 4.768 6.128 ( 9.749 -0.000 -6.514) 11.725 6.167 ( 1.309 -0.000 7.314) 7.430 6.439 ( 4.934 -0.000 2.708) 5.628 6.484 ( 16.207 -0.000 -2.996) 16.482 6.819 ( 4.571 -0.000 6.379) 7.847 6.845 ( -2.847 0.000 -3.997) 4.907 7.207 ( -7.923 0.000 14.626) 16.634 7.280 ( -0.385 0.000 -3.319) 3.341 7.396 ( 3.946 -0.000 2.248) 4.541 7.546 ( 11.637 -0.000 15.279) 19.206 7.765 ( 9.716 -0.000 -2.261) 9.975 7.839 ( -0.093 0.000 -3.601) 3.602 8.436 ( -5.270 0.000 2.497) 5.831 8.622 ( 0.824 -0.000 0.004) 0.824 8.877 ( 0.041 -0.000 7.211) 7.211 9.225 ( 13.101 -0.000 -4.612) 13.889 9.345 ( 0.300 -0.000 -16.216) 16.219 9.430 ( 9.186 -0.000 -9.921) 13.521 10.044 ( -5.261 0.000 6.784) 8.585 10.204 ( -18.075 0.000 -1.485) 18.136 10.286 ( 0.901 -0.000 11.791) 11.825 10.524 ( 8.900 -0.000 -13.577) 16.234 11.003 ( -0.423 0.000 -4.973) 4.991 11.152 ( -17.139 0.000 4.771) 17.791 12.027 ( 12.949 -0.000 4.794) 13.808 12.074 ( 14.019 -0.000 -4.465) 14.713 12.713 ( -8.816 0.000 0.653) 8.840 12.923 ( -3.844 0.000 0.193) 3.849 14.168 ( 10.576 -0.000 2.729) 10.922 14.215 ( 1.662 -0.000 1.198) 2.049 14.302 ( 0.342 -0.000 -1.923) 1.953 14.393 ( 6.614 -0.000 1.136) 6.711 14.807 ( -1.667 0.000 3.069) 3.493 14.903 ( 8.245 -0.000 -2.588) 8.641 15.144 ( -13.072 0.000 21.738) 25.366 15.555 ( -17.774 0.000 -9.899) 20.345 16.535 ( 5.603 -0.000 -4.481) 7.175 16.941 ( -9.119 0.000 6.367) 11.122 19.529 ( 8.267 -0.000 -8.441) 11.815 19.767 ( -1.088 0.000 6.801) 6.887 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 8.901 -7.709 5.281) 12.905 1.293 ( 16.069 -3.049 -2.148) 16.496 1.501 ( 5.097 0.047 -6.393) 8.176 1.807 ( 2.974 -4.270 -11.882) 12.972 2.022 ( -0.234 1.822 7.566) 7.786 2.041 ( -2.271 -1.145 -2.409) 3.503 2.122 ( 9.095 -4.368 24.725) 26.705 2.349 ( -6.448 1.400 -1.499) 6.766 2.418 ( -2.987 -0.296 1.658) 3.429 2.455 ( 0.299 2.417 3.222) 4.039 2.535 ( -7.942 -0.346 -1.679) 8.125 2.609 ( -2.850 1.138 -0.543) 3.117 2.706 ( -1.525 1.212 0.195) 1.958 2.933 ( 0.604 2.826 2.435) 3.779 2.956 ( -2.562 -1.004 0.051) 2.752 3.042 ( -2.855 -3.079 -2.958) 5.136 3.093 ( 3.254 -2.632 -6.872) 8.046 3.262 ( 2.924 -0.272 -0.528) 2.984 3.509 ( 5.353 -1.454 -9.869) 11.321 3.656 ( 0.758 2.156 -9.414) 9.687 3.687 ( -0.746 3.107 -1.813) 3.674 3.777 ( 2.289 4.560 4.055) 6.517 3.868 ( -0.127 -3.369 4.133) 5.334 4.111 ( 0.852 0.638 0.564) 1.205 4.534 ( -5.174 1.827 -2.356) 5.972 4.649 ( 6.333 1.305 -0.846) 6.521 4.694 ( 7.358 -0.700 2.178) 7.706 4.760 ( 7.318 -1.631 -4.170) 8.579 5.125 ( 4.274 5.485 0.148) 6.955 5.224 ( 4.432 -5.031 -3.751) 7.683 5.285 ( 8.001 -0.034 -3.663) 8.799 5.632 ( -5.678 0.536 -3.837) 6.874 6.217 ( 4.279 0.107 7.029) 8.230 6.245 ( 2.530 -0.888 -2.882) 3.937 6.568 ( 7.090 1.688 4.427) 8.527 6.735 ( 9.270 3.107 -9.553) 13.669 6.760 ( 2.868 0.273 3.648) 4.648 6.896 ( 4.419 -0.149 6.691) 8.020 7.143 ( -3.568 -3.837 12.841) 13.869 7.315 ( 4.462 1.665 -6.028) 7.682 7.413 ( 1.155 -0.161 2.178) 2.470 7.696 ( 8.938 9.237 2.991) 13.197 7.926 ( 6.007 -6.104 -3.358) 9.199 7.989 ( 10.520 1.128 2.651) 10.907 8.309 ( -3.917 1.410 1.212) 4.336 8.642 ( 0.253 -0.368 1.728) 1.784 8.770 ( -10.844 1.637 14.805) 18.425 9.231 ( -4.524 10.653 -12.133) 16.768 9.282 ( -12.811 0.198 -5.156) 13.811 9.592 ( 10.959 -4.529 -8.069) 14.343 9.880 ( -15.003 -2.353 10.514) 18.471 10.086 ( 2.647 -3.953 -15.109) 15.840 10.345 ( 11.714 7.455 5.730) 15.021 10.725 ( 11.584 -3.048 -7.841) 14.317 10.907 ( -7.755 5.249 3.844) 10.123 10.986 ( -3.884 -3.501 0.998) 5.324 12.176 ( 6.961 4.656 1.830) 8.572 12.317 ( 10.610 -1.245 -2.169) 10.901 12.597 ( -1.875 1.049 2.656) 3.416 12.869 ( -4.742 -4.452 -0.386) 6.516 14.228 ( -0.211 -1.871 1.061) 2.161 14.312 ( 1.025 -0.329 -2.739) 2.943 14.355 ( 10.634 1.174 1.956) 10.876 14.520 ( 8.937 3.178 0.465) 9.496 14.790 ( -1.989 -1.751 5.027) 5.682 14.979 ( -3.394 0.405 9.528) 10.123 15.051 ( -1.213 -6.564 2.305) 7.062 15.315 ( -10.271 -3.017 -10.695) 15.132 16.595 ( 2.956 1.924 -1.999) 4.054 16.814 ( -6.135 0.223 3.314) 6.976 19.629 ( 4.837 0.797 -6.394) 8.057 19.732 ( -2.648 1.056 5.450) 6.150 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 5.426 -7.148 -1.177) 9.051 1.496 ( 6.409 -0.329 -5.012) 8.142 1.682 ( 7.818 -3.810 -0.241) 8.700 1.812 ( -0.115 -4.920 -1.869) 5.265 1.943 ( -6.716 2.480 4.861) 8.653 2.119 ( 6.764 -3.126 -2.929) 8.006 2.178 ( -0.682 -2.041 6.608) 6.950 2.277 ( -8.896 2.495 -3.279) 9.804 2.326 ( -2.626 0.575 1.862) 3.270 2.398 ( -0.544 1.244 0.704) 1.530 2.521 ( -0.358 2.362 0.165) 2.394 2.578 ( -0.835 -0.133 4.613) 4.689 2.712 ( 2.350 -5.511 2.264) 6.404 2.904 ( -0.736 1.911 1.262) 2.405 2.953 ( 0.473 -0.878 1.936) 2.178 3.046 ( -0.110 -1.908 -0.511) 1.978 3.142 ( 0.527 -1.444 -2.853) 3.240 3.311 ( 2.664 1.485 1.269) 3.304 3.522 ( -2.920 1.061 -7.792) 8.389 3.669 ( 1.082 -5.409 -7.452) 9.271 3.673 ( 3.023 4.948 -1.590) 6.013 3.772 ( 2.626 4.814 5.037) 7.446 3.921 ( 2.567 -0.308 4.399) 5.103 4.099 ( -0.930 2.024 -0.892) 2.399 4.440 ( -3.970 0.724 -2.293) 4.642 4.715 ( 2.894 0.737 -1.800) 3.487 4.789 ( 4.470 0.263 2.980) 5.379 4.906 ( 5.520 -1.996 -2.255) 6.288 5.148 ( 4.408 5.513 -3.731) 7.984 5.335 ( 4.229 -2.992 -5.215) 7.350 5.386 ( 4.186 -1.410 -2.141) 4.909 5.536 ( -3.741 1.596 -3.147) 5.142 6.191 ( -5.677 0.925 2.463) 6.257 6.385 ( 8.508 -5.738 1.259) 10.339 6.545 ( -1.974 7.619 5.900) 9.836 6.767 ( -0.826 -5.761 3.993) 7.058 6.920 ( 6.495 -0.328 -2.732) 7.054 7.053 ( 12.099 0.201 2.101) 12.282 7.149 ( 1.108 0.592 2.856) 3.120 7.342 ( 0.243 2.967 1.430) 3.303 7.470 ( 3.156 -2.324 3.853) 5.496 7.725 ( 4.905 8.239 -9.585) 13.558 7.932 ( -2.873 2.870 -5.136) 6.547 8.147 ( 7.154 -0.397 10.008) 12.308 8.364 ( 5.014 -2.416 -3.960) 6.831 8.486 ( -16.907 1.275 11.280) 20.364 8.691 ( 1.285 -1.127 -0.248) 1.727 8.914 ( -17.746 5.525 2.923) 18.814 9.120 ( -3.770 3.593 -3.792) 6.442 9.600 ( -13.792 -0.152 8.605) 16.257 9.827 ( 8.636 -3.302 -10.325) 13.860 10.208 ( 4.439 -6.928 -16.948) 18.839 10.501 ( 9.051 3.954 2.945) 10.307 10.730 ( -5.506 5.390 1.067) 7.779 10.909 ( 5.590 3.994 -5.404) 8.741 11.021 ( 5.916 -5.452 7.081) 10.717 12.131 ( -10.296 -2.699 -0.125) 10.644 12.443 ( 7.982 5.576 5.400) 11.134 12.681 ( 10.224 2.873 1.195) 10.687 12.839 ( -4.318 -6.916 -2.718) 8.595 14.246 ( -0.745 -4.018 0.173) 4.090 14.328 ( 0.797 -0.118 -3.066) 3.170 14.502 ( 9.151 4.939 1.546) 10.513 14.618 ( 6.895 6.660 -0.036) 9.587 14.769 ( -2.295 -0.461 6.128) 6.560 14.924 ( -4.359 -4.377 10.348) 12.051 15.074 ( -3.132 -6.819 -6.024) 9.623 15.252 ( -0.036 -2.710 -6.569) 7.106 16.605 ( 0.757 2.350 -0.161) 2.474 16.732 ( -4.058 -0.628 0.385) 4.124 19.674 ( 1.053 0.982 -1.971) 2.441 19.682 ( -1.471 0.828 1.719) 2.409 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.710 -5.473 1.501) 8.788 1.532 ( -0.365 0.003 -3.540) 3.559 1.707 ( -1.169 -1.240 -2.659) 3.158 1.794 ( -7.524 2.138 -0.457) 7.835 1.989 ( 7.989 -6.726 3.270) 10.943 2.126 ( -3.383 0.697 -1.033) 3.606 2.249 ( 4.846 -2.348 -0.864) 5.454 2.252 ( 1.793 -1.651 4.205) 4.860 2.284 ( 1.198 1.066 -1.534) 2.219 2.386 ( 0.060 1.557 -0.748) 1.729 2.440 ( -3.140 5.829 0.524) 6.641 2.556 ( -0.520 2.882 -1.252) 3.185 2.833 ( -0.307 -12.927 1.221) 12.988 2.884 ( 0.626 2.069 5.362) 5.781 2.989 ( 1.284 -2.979 0.181) 3.249 3.049 ( 0.200 1.795 -1.282) 2.214 3.152 ( -1.146 -4.384 -2.151) 5.016 3.307 ( 0.371 5.395 3.591) 6.491 3.461 ( -2.214 -0.341 -4.747) 5.250 3.645 ( 0.555 10.966 4.862) 12.008 3.719 ( -0.459 -5.006 -3.972) 6.406 3.825 ( 5.021 -0.324 -1.711) 5.314 3.952 ( 1.403 2.578 4.282) 5.191 4.052 ( -1.418 2.517 -0.153) 2.893 4.392 ( -1.442 -1.226 -1.792) 2.606 4.721 ( -1.169 1.218 -2.500) 3.017 4.854 ( 2.472 0.090 2.584) 3.577 4.945 ( 0.891 2.153 -1.014) 2.542 5.188 ( 3.083 1.020 -6.803) 7.538 5.380 ( -0.911 -0.815 -2.035) 2.373 5.448 ( -0.959 -4.762 -3.323) 5.885 5.498 ( 2.695 2.035 -3.565) 4.911 6.060 ( -8.576 0.738 5.193) 10.053 6.447 ( -1.306 4.722 5.904) 7.672 6.563 ( 3.439 -5.663 -2.673) 7.145 6.806 ( -2.084 -7.837 3.033) 8.658 6.951 ( -3.981 -1.707 -2.035) 4.786 7.139 ( -2.135 7.209 2.032) 7.788 7.179 ( 0.131 0.401 2.778) 2.809 7.270 ( -5.148 -1.336 5.944) 7.976 7.497 ( 0.633 2.995 -2.651) 4.049 7.801 ( 8.427 -1.759 -8.512) 12.106 7.903 ( 0.300 3.428 -1.047) 3.597 8.103 ( -6.214 0.583 -0.050) 6.242 8.315 ( -6.381 -3.060 9.686) 11.995 8.412 ( -1.106 -0.910 -7.222) 7.362 8.653 ( -6.541 3.761 7.764) 10.826 8.735 ( 2.493 0.758 -1.181) 2.861 9.107 ( 3.181 -1.638 5.941) 6.936 9.414 ( -6.164 0.735 5.238) 8.122 9.970 ( 2.975 -5.695 -14.335) 15.710 10.273 ( 1.127 1.577 -9.707) 9.899 10.507 ( -6.404 -2.817 4.833) 8.503 10.649 ( -0.051 3.313 -0.775) 3.403 10.936 ( 3.537 3.816 -6.001) 7.942 11.181 ( 7.152 1.786 5.157) 8.996 11.951 ( -14.538 -7.567 2.304) 16.551 12.490 ( -0.273 1.428 5.063) 5.268 12.794 ( 3.109 -0.487 9.357) 9.872 12.870 ( 6.819 2.614 -10.937) 13.151 14.270 ( -1.073 -4.654 -0.780) 4.839 14.330 ( -0.366 0.253 -2.415) 2.456 14.549 ( 1.796 7.583 2.723) 8.255 14.644 ( 4.045 5.993 -3.983) 8.255 14.742 ( -1.505 -0.029 9.819) 9.934 14.946 ( 2.281 -2.277 5.265) 6.173 15.091 ( -0.988 -6.968 -5.734) 9.077 15.306 ( 5.212 0.169 -3.935) 6.533 16.589 ( -0.748 0.627 -0.108) 0.982 16.679 ( -3.675 -1.541 -0.215) 3.991 19.630 ( -2.606 0.491 1.834) 3.224 19.694 ( 0.619 -0.097 -1.854) 1.957 ======================= Grid point 120 (46/117) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -2.953 -1.145 -0.133) 3.170 1.546 ( -4.008 -1.586 -6.738) 7.999 1.709 ( 2.594 3.759 2.020) 4.994 1.748 ( 4.563 -1.492 1.400) 5.001 2.122 ( 2.327 2.598 -2.296) 4.176 2.139 ( 2.824 -4.719 1.727) 5.764 2.203 ( -2.417 2.046 5.518) 6.362 2.255 ( -1.551 5.762 1.705) 6.206 2.365 ( 2.337 -3.828 -2.877) 5.329 2.391 ( 0.015 3.028 -2.454) 3.898 2.430 ( 6.225 -3.571 -0.455) 7.191 2.519 ( 1.229 2.813 -2.248) 3.805 2.874 ( -0.657 0.490 5.739) 5.797 2.935 ( -0.027 -8.479 -0.595) 8.499 3.025 ( -0.353 1.410 -0.953) 1.738 3.041 ( 2.223 -2.087 -1.349) 3.334 3.183 ( -1.006 -6.891 -3.769) 7.919 3.274 ( 0.356 4.316 5.153) 6.731 3.397 ( -5.063 5.906 4.234) 8.857 3.543 ( -0.713 7.590 2.610) 8.057 3.731 ( -1.751 -2.849 -1.543) 3.683 3.883 ( 0.516 3.030 -3.454) 4.624 3.923 ( 0.343 2.850 0.289) 2.886 4.034 ( 0.811 1.051 1.796) 2.234 4.408 ( 0.105 -3.687 -1.454) 3.965 4.665 ( -3.531 0.273 -1.737) 3.945 4.851 ( -2.375 1.183 3.051) 4.043 4.922 ( -1.390 3.523 -2.758) 4.685 5.185 ( -3.182 -0.980 -7.359) 8.077 5.342 ( -1.406 0.409 0.800) 1.668 5.453 ( -3.397 -5.558 -4.485) 7.909 5.536 ( 2.758 1.086 -4.566) 5.443 5.920 ( -8.838 -2.417 7.043) 11.557 6.423 ( 0.707 3.469 2.717) 4.463 6.577 ( -6.681 -4.638 -4.640) 9.363 6.777 ( -9.838 -2.914 -0.595) 10.277 6.869 ( -6.663 -6.491 7.536) 11.972 6.940 ( -9.619 3.116 1.053) 10.166 7.132 ( -4.785 3.423 -1.990) 6.210 7.223 ( -2.979 -3.601 2.982) 5.544 7.443 ( -2.433 6.394 -1.469) 6.997 7.775 ( -9.281 -3.627 5.986) 11.625 7.923 ( -4.489 -8.053 -4.069) 10.078 8.165 ( 2.607 -2.512 0.074) 3.621 8.238 ( 2.166 -0.902 4.922) 5.453 8.455 ( 9.319 6.183 -12.026) 16.422 8.568 ( -4.703 -4.147 1.581) 6.466 8.730 ( -3.841 -3.217 5.677) 7.572 9.233 ( 5.412 -4.863 10.442) 12.727 9.457 ( 14.316 4.272 -4.003) 15.467 9.934 ( -9.009 0.787 -11.253) 14.436 10.185 ( -9.677 -1.537 0.109) 9.799 10.503 ( 2.108 -5.772 0.385) 6.157 10.599 ( -4.894 -0.813 0.978) 5.056 10.940 ( 3.673 8.565 -6.461) 11.340 11.197 ( -3.315 2.519 1.128) 4.314 11.814 ( -10.206 -8.881 5.688) 14.676 12.421 ( -9.166 -4.857 1.278) 10.452 12.859 ( 3.384 -0.267 9.119) 9.730 12.943 ( 8.269 9.612 -9.180) 15.653 14.283 ( -2.039 -3.873 -1.785) 4.728 14.307 ( -2.079 -0.720 -0.782) 2.335 14.481 ( -2.547 4.600 2.800) 5.957 14.619 ( -0.475 5.895 -4.425) 7.386 14.758 ( 2.825 1.837 9.143) 9.744 15.023 ( 5.952 2.852 3.432) 7.439 15.144 ( 1.540 -4.544 -5.003) 6.932 15.413 ( 9.611 3.595 -2.448) 10.549 16.579 ( -1.215 -2.549 -1.057) 3.015 16.630 ( -4.122 -2.504 0.586) 4.859 19.585 ( -2.634 -0.125 0.330) 2.658 19.701 ( -0.491 -1.761 -0.336) 1.859 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -10.919 4.586 -4.671) 12.731 1.531 ( -0.447 1.867 -6.023) 6.322 1.744 ( -3.297 6.480 5.267) 8.978 1.788 ( 5.815 1.625 4.879) 7.763 2.059 ( -2.231 8.129 -3.069) 8.971 2.164 ( 2.906 2.244 2.621) 4.511 2.203 ( 1.472 -2.446 -1.206) 3.099 2.288 ( 2.942 -2.604 0.876) 4.025 2.389 ( 2.477 0.380 0.499) 2.555 2.409 ( 1.736 -1.914 -4.516) 5.203 2.544 ( 4.133 1.350 3.003) 5.284 2.596 ( 6.296 -3.375 -1.466) 7.293 2.822 ( -2.669 5.843 7.359) 9.769 2.986 ( -1.140 -3.874 -2.891) 4.967 3.023 ( 1.191 2.180 2.445) 3.485 3.100 ( 3.041 -1.625 -2.467) 4.240 3.139 ( -7.872 8.027 7.113) 13.304 3.239 ( -2.556 -10.875 -3.302) 11.649 3.309 ( 1.359 1.349 2.894) 3.470 3.499 ( 0.991 6.609 -2.325) 7.075 3.708 ( -2.370 0.010 0.433) 2.409 3.790 ( -5.084 3.271 -2.296) 6.466 3.931 ( 0.355 -0.011 -4.247) 4.261 4.054 ( 2.002 0.548 2.405) 3.177 4.398 ( -6.013 -3.073 -1.356) 6.888 4.604 ( -3.966 -0.622 -1.160) 4.178 4.783 ( -4.625 1.797 2.380) 5.503 4.828 ( -6.334 -1.920 -1.665) 6.825 5.096 ( -4.715 1.453 -4.848) 6.918 5.318 ( -6.967 -4.392 -2.564) 8.626 5.455 ( 2.068 -3.366 -1.789) 4.337 5.561 ( 2.287 1.556 -6.378) 6.952 5.815 ( -8.807 -5.310 7.283) 12.602 6.296 ( -11.350 0.700 -0.360) 11.377 6.503 ( -7.893 -5.064 -6.945) 11.670 6.679 ( -2.377 -0.625 8.156) 8.519 6.694 ( -10.161 4.226 0.000) 11.005 6.871 ( -7.258 -6.962 2.237) 10.303 7.033 ( -3.092 -0.652 0.950) 3.300 7.217 ( -2.472 -2.358 0.671) 3.482 7.337 ( -2.188 4.360 0.915) 4.963 7.664 ( -7.676 -3.138 3.144) 8.869 7.809 ( -15.639 -9.901 7.662) 20.033 8.210 ( -4.729 -9.409 -3.264) 11.025 8.298 ( 3.375 4.348 -5.478) 7.766 8.422 ( 1.168 4.907 6.682) 8.372 8.677 ( 0.810 -6.433 -1.395) 6.632 8.805 ( 10.692 -9.927 -8.376) 16.823 9.336 ( -0.905 -4.530 0.895) 4.706 9.617 ( -5.765 8.975 -1.507) 10.773 9.824 ( 17.391 5.582 0.331) 18.268 10.017 ( -14.240 -9.063 0.265) 16.882 10.497 ( -9.119 -3.719 1.545) 9.968 10.618 ( 2.378 -5.984 0.742) 6.482 10.905 ( 3.470 10.013 -4.266) 11.424 11.087 ( -6.664 -2.397 0.167) 7.084 11.747 ( -6.408 -4.715 5.667) 9.768 12.294 ( -10.825 -6.250 -1.886) 12.641 12.922 ( 2.937 0.112 4.225) 5.147 12.964 ( 6.323 11.523 -4.618) 13.931 14.249 ( -4.414 -2.141 0.107) 4.907 14.283 ( -3.293 -3.195 -1.712) 4.897 14.402 ( -2.881 3.382 2.155) 4.938 14.536 ( -2.282 6.125 -3.083) 7.227 14.804 ( 4.156 3.172 7.004) 8.740 15.084 ( 4.377 5.808 2.395) 7.657 15.208 ( 5.294 1.344 -3.071) 6.266 15.566 ( 13.910 6.316 -1.699) 15.371 16.569 ( -4.227 -3.675 -4.999) 7.508 16.612 ( -1.066 -5.561 4.460) 7.207 19.544 ( -2.325 -0.518 -1.404) 2.765 19.712 ( -1.380 -4.320 1.307) 4.720 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -10.811 9.785 1.411) 14.650 1.389 ( -9.716 13.551 6.686) 17.965 1.576 ( -5.329 5.960 -6.437) 10.264 1.848 ( -1.676 5.978 -7.987) 10.117 1.982 ( 5.505 6.372 4.349) 9.477 2.235 ( 2.127 5.772 -0.746) 6.196 2.251 ( 2.046 2.081 3.406) 4.485 2.306 ( -4.654 3.273 8.593) 10.306 2.393 ( -0.410 0.840 1.668) 1.912 2.433 ( 0.368 -0.207 2.763) 2.795 2.566 ( 5.869 -4.043 -0.818) 7.173 2.706 ( 3.187 -1.670 0.619) 3.651 2.794 ( 1.640 0.533 1.910) 2.574 2.954 ( 3.253 6.110 6.744) 9.664 3.021 ( -0.909 -1.438 -0.312) 1.730 3.072 ( 0.347 -2.725 -1.935) 3.360 3.163 ( 3.391 -0.342 -3.478) 4.870 3.260 ( -4.432 -8.227 -8.462) 12.606 3.377 ( 2.908 -3.086 -0.667) 4.293 3.442 ( 2.642 8.558 -6.404) 11.010 3.658 ( -2.389 2.314 0.377) 3.347 3.684 ( -5.566 -1.280 0.660) 5.749 3.920 ( -1.689 -1.582 -2.953) 3.752 4.081 ( 0.968 0.727 1.585) 1.995 4.274 ( -10.590 -4.054 0.042) 11.339 4.559 ( -2.491 -3.312 -2.307) 4.743 4.648 ( -8.920 -0.412 -2.198) 9.196 4.766 ( -4.516 -1.273 4.246) 6.328 5.033 ( -0.953 1.566 -2.928) 3.455 5.181 ( -13.611 -7.546 -5.313) 16.445 5.525 ( 1.260 0.550 0.668) 1.529 5.587 ( 2.186 -0.262 -8.556) 8.835 5.733 ( -4.768 -4.595 9.286) 11.406 6.154 ( -4.742 -1.365 -1.927) 5.298 6.352 ( -11.920 -5.462 -4.156) 13.755 6.487 ( -11.826 0.241 -0.101) 11.829 6.668 ( -2.056 1.095 7.839) 8.178 6.805 ( -7.226 -5.410 3.798) 9.793 6.999 ( -3.363 -1.924 -0.116) 3.876 7.188 ( -1.597 -1.490 -0.358) 2.213 7.339 ( 2.620 -1.545 5.147) 5.979 7.552 ( -10.687 -0.544 4.336) 11.546 7.690 ( -1.889 -7.024 4.230) 8.414 8.159 ( -5.116 -6.873 -4.006) 9.458 8.284 ( -2.128 2.180 -10.977) 11.392 8.474 ( 4.515 0.690 12.804) 13.594 8.770 ( 1.746 -8.422 -0.935) 8.652 8.992 ( -2.077 -6.065 -9.081) 11.116 9.184 ( -13.810 0.936 -12.472) 18.631 9.507 ( 3.786 4.053 6.884) 8.840 9.885 ( -10.456 -12.748 0.610) 16.499 10.101 ( 10.761 4.470 7.099) 13.645 10.373 ( -7.994 -3.042 1.177) 8.634 10.615 ( -8.154 -7.750 -2.127) 11.448 10.953 ( 11.358 3.939 -1.882) 12.168 11.100 ( 3.834 -5.008 5.321) 8.252 11.671 ( -5.419 -0.662 2.508) 6.008 12.166 ( -9.600 -4.111 -3.429) 10.992 12.953 ( 3.835 5.518 -9.099) 11.312 12.973 ( 3.487 4.656 7.009) 9.108 14.180 ( -6.747 -3.149 2.137) 7.747 14.231 ( -5.042 -1.323 -2.138) 5.634 14.329 ( -2.522 2.715 0.844) 3.801 14.440 ( -1.935 6.267 -2.642) 7.071 14.852 ( 3.853 3.143 5.491) 7.408 15.049 ( -1.978 6.664 1.517) 7.115 15.329 ( 14.775 8.226 0.923) 16.936 15.777 ( 18.990 8.451 -1.373) 20.831 16.510 ( -5.219 -2.374 -6.979) 9.032 16.658 ( -2.197 -7.817 5.349) 9.724 19.520 ( -0.592 -0.867 -3.266) 3.431 19.731 ( -3.110 -8.003 3.236) 9.175 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -7.428 12.428 14.268) 20.328 1.049 ( -12.638 18.357 14.863) 26.788 1.451 ( -1.936 5.426 -12.226) 13.516 1.714 ( -1.756 10.773 -15.871) 19.262 1.754 ( -16.235 29.465 23.207) 40.870 2.096 ( 2.951 1.889 6.521) 7.402 2.295 ( 1.313 0.433 0.514) 1.476 2.368 ( 2.188 -4.281 1.437) 5.018 2.440 ( 1.578 -3.274 1.502) 3.933 2.523 ( 7.193 -4.276 1.652) 8.529 2.708 ( -2.990 -1.328 -2.568) 4.159 2.732 ( 5.630 -0.206 2.121) 6.020 2.791 ( 0.444 -0.752 -0.224) 0.902 2.970 ( 0.847 3.832 2.798) 4.820 3.037 ( 0.443 -2.368 -4.245) 4.881 3.160 ( 6.536 -0.162 -3.548) 7.439 3.190 ( 0.026 5.535 -10.275) 11.671 3.215 ( 1.494 -0.466 -7.770) 7.926 3.417 ( 1.223 -4.422 -3.861) 5.997 3.493 ( 2.487 -3.715 -1.536) 4.727 3.580 ( -4.529 1.070 2.039) 5.081 3.646 ( -1.460 -3.425 -0.388) 3.744 3.917 ( -1.273 -3.895 1.216) 4.275 4.074 ( -0.391 1.502 1.102) 1.903 4.152 ( -7.145 -3.272 2.523) 8.253 4.452 ( -9.034 -0.233 -5.655) 10.660 4.601 ( -2.519 -4.483 -0.130) 5.144 4.728 ( -1.268 0.971 1.572) 2.242 4.977 ( -4.690 -4.538 -7.369) 9.843 5.033 ( -7.022 -2.168 2.431) 7.740 5.478 ( -3.779 4.603 -0.775) 6.006 5.536 ( -5.702 1.230 -3.301) 6.703 5.829 ( 7.717 -5.525 4.453) 10.483 6.138 ( 1.534 0.397 -4.449) 4.723 6.252 ( -4.944 -5.510 3.132) 8.039 6.333 ( -7.114 -5.553 3.728) 9.764 6.592 ( -4.954 1.024 5.665) 7.595 6.732 ( -8.197 -8.673 5.620) 13.191 6.931 ( -7.162 -0.361 2.855) 7.718 7.195 ( -3.519 -6.899 -2.704) 8.203 7.307 ( -3.543 -0.400 2.132) 4.155 7.559 ( 10.302 -0.871 -0.145) 10.340 7.850 ( 15.909 3.350 1.870) 16.365 8.182 ( -1.082 -6.575 1.536) 6.839 8.197 ( -3.169 -1.640 -8.098) 8.849 8.477 ( -8.348 -0.975 7.292) 11.127 8.749 ( -7.580 -1.084 -8.745) 11.624 8.920 ( -10.195 0.367 -4.808) 11.278 8.992 ( -0.963 0.615 0.541) 1.264 9.578 ( 0.610 -2.675 0.499) 2.788 9.886 ( -1.706 -11.580 -4.437) 12.518 10.064 ( -12.533 -4.281 9.400) 16.240 10.347 ( 1.428 -6.185 7.295) 9.670 10.588 ( -0.360 -3.804 -0.279) 3.831 11.120 ( -0.822 -3.999 6.787) 7.921 11.273 ( 12.651 -5.408 1.594) 13.850 11.630 ( 4.069 3.217 -1.430) 5.381 12.017 ( -10.565 -0.817 -3.120) 11.047 12.968 ( 4.095 5.559 -2.736) 7.427 12.995 ( 1.775 0.883 -1.425) 2.441 14.075 ( -8.265 -2.122 3.995) 9.422 14.143 ( -4.381 1.378 -2.457) 5.209 14.280 ( -1.196 0.857 -0.199) 1.485 14.368 ( -0.756 4.250 -1.955) 4.739 14.883 ( 2.455 3.346 2.859) 5.040 14.929 ( -3.969 7.836 2.603) 9.162 15.586 ( 22.438 6.002 3.867) 23.546 16.078 ( 26.462 9.671 0.819) 28.185 16.407 ( -5.144 3.802 -14.123) 15.504 16.640 ( -8.661 -5.765 5.542) 11.789 19.547 ( 3.068 -1.768 -3.509) 4.985 19.732 ( -9.236 -12.682 4.772) 16.398 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -5.107 11.101 21.585) 24.804 0.765 ( -0.326 19.515 20.367) 28.209 1.323 ( -1.269 28.812 37.561) 47.356 1.435 ( 5.558 3.075 -14.176) 15.534 1.611 ( 2.146 9.177 -19.165) 21.357 2.100 ( -3.050 1.081 6.982) 7.696 2.294 ( -1.271 -0.167 1.511) 1.982 2.424 ( 0.934 -1.092 1.671) 2.204 2.509 ( 0.566 -8.071 0.537) 8.109 2.620 ( -5.314 -0.658 -5.377) 7.589 2.671 ( 4.150 -2.341 2.924) 5.590 2.744 ( -0.260 1.564 3.757) 4.078 2.820 ( -1.393 1.412 -1.979) 2.801 2.961 ( 1.024 1.477 0.578) 1.887 3.027 ( 0.690 2.596 -13.212) 13.482 3.134 ( 1.361 2.711 -11.813) 12.196 3.202 ( -5.593 -0.346 -2.494) 6.134 3.282 ( 5.340 0.649 -4.116) 6.773 3.445 ( -4.899 -2.027 0.749) 5.354 3.516 ( -0.610 -3.530 -3.032) 4.693 3.573 ( 1.882 -5.273 2.221) 6.024 3.676 ( 0.255 -3.799 -1.629) 4.141 3.954 ( 3.390 -3.622 6.750) 8.377 4.074 ( -1.165 0.773 1.811) 2.288 4.091 ( 2.732 1.719 5.024) 5.972 4.346 ( -1.410 0.339 -8.564) 8.686 4.605 ( 1.042 -2.845 0.026) 3.030 4.660 ( -2.688 -0.827 -1.416) 3.149 4.947 ( -3.362 -0.345 2.118) 3.988 5.120 ( 15.256 -1.200 -3.281) 15.651 5.318 ( -8.673 6.146 0.780) 10.658 5.413 ( -4.331 3.506 -0.296) 5.580 6.031 ( 7.396 -7.967 0.072) 10.871 6.139 ( -0.544 -0.397 1.156) 1.338 6.248 ( -2.614 0.794 0.644) 2.806 6.364 ( 0.817 -5.518 6.058) 8.235 6.580 ( 5.061 -2.374 1.056) 5.689 6.729 ( -4.555 -13.344 7.249) 15.854 6.830 ( 0.948 -1.659 10.323) 10.498 7.219 ( 1.578 -6.583 -5.775) 8.898 7.315 ( 0.598 0.215 -0.996) 1.182 7.710 ( 2.213 1.258 -16.978) 17.168 7.918 ( -3.912 5.019 4.705) 7.914 8.215 ( -9.916 -2.146 4.176) 10.971 8.286 ( 0.377 -5.824 0.466) 5.855 8.487 ( 30.035 -0.343 1.788) 30.090 8.534 ( -13.227 -3.373 -9.542) 16.655 8.740 ( -4.053 1.765 -5.455) 7.022 9.082 ( 9.438 5.500 11.396) 15.786 9.539 ( -5.509 1.109 -6.331) 8.465 9.893 ( -12.712 -21.009 11.957) 27.312 10.022 ( 4.161 -4.206 4.299) 7.313 10.530 ( 7.555 -4.832 -6.319) 10.970 10.655 ( 6.980 -4.317 4.805) 9.510 10.973 ( -21.022 -8.861 17.020) 28.462 11.528 ( 8.814 -3.611 -0.390) 9.533 11.744 ( 9.277 2.855 -2.840) 10.113 11.812 ( -10.345 3.119 -1.478) 10.906 12.951 ( -2.723 1.679 0.302) 3.213 13.021 ( 2.005 2.151 -4.414) 5.304 13.980 ( -4.016 -1.946 4.129) 6.080 14.089 ( 1.308 2.490 -1.341) 3.116 14.278 ( 0.690 -1.143 0.040) 1.335 14.332 ( -0.046 2.095 -1.210) 2.420 14.808 ( -1.492 7.324 2.141) 7.775 14.884 ( 1.020 4.088 0.564) 4.251 15.867 ( 2.610 -0.297 3.846) 4.657 16.130 ( -12.917 3.248 -7.271) 15.175 16.457 ( -11.537 -2.924 1.862) 12.046 16.684 ( 42.579 9.580 -16.090) 46.515 19.577 ( -21.787 -9.251 7.308) 24.772 19.643 ( 5.308 -2.720 0.291) 5.971 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 7.108 -0.000 0.750) 7.148 1.483 ( 6.662 -0.000 -5.632) 8.724 1.669 ( 12.928 -0.000 1.861) 13.061 1.756 ( -3.338 0.000 -5.336) 6.294 1.965 ( -7.307 0.000 4.334) 8.496 2.087 ( 7.089 -0.000 -5.304) 8.854 2.162 ( -0.694 0.000 12.541) 12.560 2.298 ( -12.124 0.000 -4.299) 12.864 2.332 ( 0.715 -0.000 1.704) 1.848 2.416 ( -0.088 0.000 1.418) 1.421 2.533 ( 4.216 -0.000 6.328) 7.604 2.555 ( -3.232 0.000 -0.202) 3.239 2.700 ( -0.917 0.000 0.720) 1.165 2.909 ( -0.836 0.000 -1.685) 1.881 2.963 ( -2.792 0.000 0.122) 2.794 3.009 ( 1.395 -0.000 6.581) 6.727 3.145 ( 4.042 -0.000 -5.101) 6.509 3.309 ( 2.899 -0.000 -0.432) 2.931 3.542 ( 0.337 -0.000 -6.705) 6.714 3.600 ( -4.861 0.000 -7.819) 9.207 3.712 ( 2.680 -0.000 -4.618) 5.339 3.866 ( 2.945 -0.000 7.120) 7.705 3.890 ( 4.266 -0.000 3.599) 5.581 4.118 ( -0.581 0.000 -1.517) 1.625 4.447 ( -4.715 0.000 -2.129) 5.173 4.721 ( 2.674 -0.000 -1.378) 3.008 4.796 ( 4.487 -0.000 3.309) 5.575 4.883 ( 6.914 -0.000 -2.846) 7.477 5.237 ( 3.379 -0.000 0.334) 3.395 5.271 ( 4.798 -0.000 -9.968) 11.063 5.373 ( 2.714 -0.000 -1.943) 3.337 5.554 ( -3.176 0.000 -2.343) 3.946 6.202 ( -4.848 0.000 -1.537) 5.086 6.326 ( 6.924 -0.000 3.995) 7.994 6.634 ( -2.425 0.000 15.582) 15.770 6.694 ( -3.018 0.000 -4.105) 5.095 6.923 ( 6.797 -0.000 -5.451) 8.712 7.045 ( 10.435 -0.000 4.277) 11.278 7.149 ( 3.954 -0.000 8.309) 9.202 7.409 ( 5.995 -0.000 -4.466) 7.476 7.415 ( -1.816 0.000 3.988) 4.382 7.799 ( -4.515 0.000 -17.434) 18.010 8.006 ( 8.576 -0.000 -8.896) 12.357 8.095 ( 6.736 -0.000 18.913) 20.077 8.348 ( 2.590 -0.000 0.456) 2.629 8.491 ( -23.687 0.000 11.602) 26.376 8.681 ( 4.366 -0.000 -1.256) 4.543 8.943 ( -16.839 0.000 6.252) 17.962 9.170 ( -10.198 0.000 1.001) 10.247 9.629 ( -11.047 0.000 4.057) 11.768 9.800 ( 10.580 -0.000 -13.194) 16.912 10.108 ( 4.679 -0.000 -21.536) 22.039 10.531 ( 4.921 -0.000 6.956) 8.521 10.850 ( -6.555 0.000 -1.555) 6.737 10.886 ( 1.224 -0.000 10.095) 10.169 10.977 ( 15.102 -0.000 -6.122) 16.295 12.107 ( -12.065 0.000 -1.451) 12.152 12.495 ( 5.524 -0.000 1.753) 5.795 12.700 ( 10.631 -0.000 6.556) 12.490 12.780 ( -1.348 0.000 -3.282) 3.548 14.208 ( -0.710 0.000 1.556) 1.710 14.333 ( 1.784 -0.000 -3.784) 4.184 14.545 ( 9.909 -0.000 2.979) 10.347 14.699 ( 9.472 -0.000 -1.679) 9.619 14.778 ( 0.542 -0.000 5.546) 5.572 14.869 ( -7.513 0.000 13.860) 15.766 14.993 ( -4.782 0.000 -8.474) 9.730 15.224 ( 1.745 -0.000 -7.110) 7.321 16.630 ( 0.319 -0.000 -0.181) 0.366 16.722 ( -4.976 0.000 0.599) 5.011 19.683 ( 1.960 -0.000 -4.125) 4.567 19.689 ( -3.186 0.000 3.792) 4.953 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 7.312 -3.763 2.619) 8.630 1.515 ( -0.813 -1.070 -6.544) 6.680 1.718 ( 0.123 1.754 -0.301) 1.784 1.812 ( -8.513 -0.269 0.673) 8.544 1.901 ( 10.403 -2.641 2.431) 11.005 2.135 ( -5.152 0.257 -1.983) 5.526 2.205 ( 4.839 -1.556 -2.310) 5.583 2.218 ( 5.287 -1.241 5.392) 7.653 2.328 ( 0.534 1.999 -1.735) 2.700 2.426 ( 1.438 1.849 0.440) 2.383 2.507 ( -2.076 1.169 -0.390) 2.414 2.586 ( 0.233 0.266 3.130) 3.150 2.680 ( -1.919 -3.250 1.401) 4.026 2.896 ( -0.741 -0.589 -1.479) 1.756 2.940 ( -0.508 -1.087 2.230) 2.532 3.026 ( -0.864 -2.474 3.984) 4.768 3.178 ( 1.943 3.883 -2.383) 4.953 3.357 ( 1.948 -0.061 1.765) 2.629 3.471 ( -3.782 3.339 -4.984) 7.092 3.575 ( -2.547 -7.870 -4.279) 9.313 3.776 ( 5.426 2.335 -4.876) 7.660 3.901 ( 4.582 6.149 4.887) 9.093 3.968 ( 2.753 -1.104 5.322) 6.093 4.088 ( -1.885 1.190 -1.436) 2.652 4.381 ( -2.992 -0.219 -0.807) 3.106 4.734 ( -1.363 0.362 -1.613) 2.142 4.856 ( 2.535 0.127 2.804) 3.783 4.973 ( 4.451 0.775 -2.744) 5.286 5.238 ( 0.584 4.671 -6.143) 7.740 5.334 ( -0.192 -5.257 -6.334) 8.234 5.388 ( -1.372 -1.029 -0.067) 1.716 5.521 ( -0.297 0.667 -0.327) 0.800 6.092 ( -6.798 2.083 -0.077) 7.110 6.427 ( 1.372 -4.246 -1.912) 4.855 6.560 ( -3.146 3.404 13.890) 14.643 6.684 ( -1.883 -4.864 0.495) 5.240 6.944 ( -4.544 0.188 -4.871) 6.664 7.155 ( 1.519 -1.297 3.338) 3.890 7.235 ( 2.488 1.418 4.105) 5.006 7.281 ( -11.509 2.733 6.106) 13.312 7.528 ( 6.491 0.685 -3.513) 7.413 7.741 ( 1.708 -2.845 -17.766) 18.073 8.003 ( -16.509 4.628 4.868) 17.823 8.159 ( 3.061 5.593 -4.243) 7.659 8.255 ( -0.486 -3.457 10.798) 11.348 8.338 ( -1.021 -5.472 -5.067) 7.527 8.706 ( -11.547 1.734 11.665) 16.505 8.735 ( -1.041 -0.714 2.322) 2.643 9.065 ( -0.451 -1.859 13.884) 14.015 9.514 ( 1.447 7.267 -7.179) 10.317 9.869 ( -2.129 -4.973 -14.352) 15.338 10.227 ( 7.914 -3.808 -16.146) 18.380 10.509 ( -7.078 1.597 5.564) 9.144 10.691 ( -8.977 0.674 -0.411) 9.011 10.980 ( 6.936 2.032 8.660) 11.280 11.212 ( 11.319 0.731 -3.210) 11.788 11.869 ( -15.247 -2.085 -0.463) 15.396 12.451 ( -9.737 -3.052 3.052) 10.650 12.825 ( 7.222 3.891 1.322) 8.310 12.910 ( 11.358 -0.282 0.610) 11.377 14.208 ( -0.588 -2.009 0.603) 2.179 14.355 ( 1.687 1.603 -3.925) 4.563 14.654 ( 0.543 3.307 6.686) 7.479 14.747 ( 2.056 4.398 4.885) 6.887 14.770 ( -0.881 4.465 0.210) 4.556 14.875 ( 4.678 -5.444 1.369) 7.307 14.961 ( -0.144 -6.481 -4.317) 7.788 15.306 ( 7.920 -0.049 -4.726) 9.223 16.607 ( -2.344 1.230 0.524) 2.699 16.647 ( -4.771 -1.745 -0.705) 5.129 19.636 ( -3.168 0.221 2.094) 3.804 19.694 ( -0.160 0.033 -2.148) 2.154 ======================= Grid point 129 (53/117) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.593 -3.694 3.154) 6.041 1.516 ( 0.683 -1.295 -6.688) 6.846 1.734 ( 4.852 0.297 -1.174) 5.001 1.757 ( 2.735 1.391 1.705) 3.510 2.059 ( 4.265 -3.313 4.871) 7.273 2.120 ( 2.525 -1.406 -2.853) 4.061 2.241 ( -1.843 1.272 4.721) 5.225 2.309 ( 4.424 -1.752 -2.073) 5.191 2.363 ( 3.508 2.680 -1.471) 4.653 2.423 ( 0.813 5.342 0.125) 5.405 2.446 ( 0.183 2.369 -1.671) 2.905 2.561 ( -1.325 1.520 -1.660) 2.612 2.713 ( -1.085 -10.238 0.323) 10.300 2.900 ( -0.274 -2.395 0.607) 2.486 2.959 ( 0.184 -2.807 3.044) 4.145 3.046 ( -0.568 -4.044 -0.481) 4.112 3.155 ( 1.385 5.840 -2.083) 6.353 3.354 ( 0.342 4.154 4.537) 6.161 3.419 ( -1.390 -0.842 -1.560) 2.252 3.592 ( -3.532 -6.418 1.020) 7.397 3.783 ( 1.782 9.529 -1.074) 9.753 3.940 ( 3.588 3.466 -4.108) 6.462 3.997 ( 0.957 3.606 4.691) 5.994 4.051 ( -0.458 0.885 1.255) 1.603 4.353 ( -1.472 -2.326 0.039) 2.753 4.669 ( -4.890 0.445 -1.220) 5.059 4.876 ( -0.463 1.139 2.642) 2.914 4.998 ( -0.373 4.440 -3.707) 5.796 5.171 ( -4.950 -0.365 -6.305) 8.024 5.333 ( -4.149 -3.465 -5.983) 8.063 5.369 ( -0.928 -1.912 1.888) 2.843 5.520 ( -0.780 -2.060 0.087) 2.205 5.938 ( -7.916 3.753 0.878) 8.804 6.443 ( -2.814 -5.251 -4.577) 7.513 6.512 ( -4.046 1.515 6.674) 7.951 6.691 ( -4.725 -6.295 0.729) 7.905 6.761 ( -13.070 -2.677 2.542) 13.581 7.038 ( -10.812 5.275 1.874) 12.175 7.171 ( -1.180 -0.837 0.080) 1.449 7.179 ( -8.625 0.229 0.768) 8.662 7.552 ( -0.361 5.926 -3.661) 6.975 7.705 ( -12.271 -3.475 8.151) 15.136 7.802 ( -3.831 -6.247 -9.417) 11.932 8.133 ( -8.565 -2.131 0.015) 8.826 8.258 ( 7.565 4.040 4.840) 9.848 8.462 ( 7.795 -3.723 -8.176) 11.894 8.546 ( -6.485 0.857 11.390) 13.135 8.690 ( -5.415 -2.750 1.103) 6.172 9.167 ( 6.673 -1.251 11.479) 13.337 9.557 ( 11.138 6.706 -9.903) 16.343 9.837 ( -5.348 -8.361 -11.905) 15.500 10.266 ( -10.175 7.058 -0.158) 12.385 10.407 ( 3.322 -4.573 0.278) 5.658 10.551 ( -9.703 -4.704 -2.037) 10.975 11.054 ( 4.033 5.309 6.126) 9.054 11.263 ( -4.622 3.331 -4.146) 7.046 11.705 ( -5.166 -3.983 2.288) 6.913 12.293 ( -13.333 -7.407 1.008) 15.285 12.903 ( 5.575 4.265 3.076) 7.663 13.073 ( 9.544 4.340 -1.278) 10.561 14.217 ( -1.202 -3.132 -1.023) 3.507 14.340 ( -0.654 3.793 -2.121) 4.395 14.557 ( -4.984 3.670 6.337) 8.858 14.697 ( -2.722 3.188 0.322) 4.204 14.806 ( 5.436 2.850 1.928) 6.433 15.010 ( 5.054 -4.037 -0.688) 6.505 15.055 ( 5.547 -4.237 -0.529) 7.000 15.472 ( 12.924 2.745 -3.660) 13.710 16.545 ( -4.334 -1.224 -1.711) 4.818 16.583 ( -5.058 -2.447 1.235) 5.753 19.584 ( -3.051 -0.019 0.594) 3.108 19.679 ( -1.775 -0.819 -0.576) 2.038 ======================= Grid point 130 (54/117) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -6.113 0.783 -0.897) 6.228 1.541 ( 2.845 -0.108 -7.442) 7.968 1.818 ( 3.906 2.103 4.185) 6.099 1.837 ( 6.004 3.280 2.984) 7.464 2.113 ( -1.404 -1.203 3.581) 4.031 2.179 ( 0.499 -1.010 0.996) 1.504 2.207 ( 2.662 1.986 -1.286) 3.562 2.305 ( -0.195 4.180 1.614) 4.485 2.369 ( 1.508 -1.425 -2.969) 3.622 2.401 ( -0.455 1.631 -5.275) 5.540 2.525 ( 7.143 -1.492 -0.309) 7.304 2.575 ( 4.212 -0.809 0.944) 4.391 2.810 ( 1.965 -7.660 -0.855) 7.954 2.904 ( -2.727 -3.203 3.115) 5.234 3.002 ( 1.534 -3.005 2.121) 3.985 3.065 ( -1.578 -4.958 -1.930) 5.549 3.138 ( 1.846 3.870 -2.616) 5.023 3.319 ( -3.886 7.342 4.164) 9.292 3.372 ( -0.194 3.547 5.823) 6.820 3.579 ( -0.034 0.091 3.967) 3.968 3.720 ( 0.034 6.225 -3.291) 7.042 3.874 ( -5.030 5.551 -3.834) 8.415 3.982 ( 0.816 4.558 -1.959) 5.028 4.062 ( 1.627 0.168 2.540) 3.021 4.343 ( -4.633 -3.452 0.305) 5.786 4.581 ( -5.598 -1.250 -0.679) 5.775 4.814 ( -5.298 2.594 2.657) 6.470 4.856 ( -8.993 3.534 -3.982) 10.451 5.092 ( -4.654 -2.054 -2.207) 5.546 5.228 ( -12.018 -5.304 -7.948) 15.354 5.427 ( 5.736 -0.240 3.160) 6.553 5.531 ( -1.406 -4.958 0.816) 5.218 5.784 ( -6.622 2.278 -1.687) 7.203 6.303 ( -15.639 0.094 1.605) 15.721 6.402 ( -9.136 -6.273 -9.077) 14.324 6.638 ( -1.619 -2.751 6.411) 7.162 6.727 ( -4.099 -7.149 3.179) 8.833 6.806 ( -10.176 6.289 1.226) 12.026 7.027 ( -5.577 -0.429 0.187) 5.597 7.170 ( -1.725 -2.835 0.134) 3.321 7.426 ( -6.634 5.117 0.189) 8.380 7.597 ( -6.576 -3.547 2.951) 8.033 7.678 ( -14.004 -5.569 1.260) 15.123 8.054 ( -7.729 -8.192 -2.344) 11.504 8.338 ( 3.632 -0.601 6.258) 7.260 8.464 ( -2.682 0.201 12.166) 12.460 8.586 ( -3.720 -4.624 0.695) 5.975 8.711 ( 13.213 0.557 -22.914) 26.457 9.260 ( -1.406 -2.909 0.984) 3.378 9.614 ( -5.488 -8.006 -0.439) 9.716 9.934 ( 6.519 6.656 0.499) 9.329 9.993 ( -2.081 5.012 -2.620) 6.026 10.400 ( -11.063 -6.608 5.922) 14.181 10.536 ( 1.835 -3.941 -2.871) 5.210 11.034 ( -1.195 4.441 4.793) 6.643 11.079 ( -9.196 1.628 -4.501) 10.367 11.713 ( 0.850 -0.393 1.439) 1.717 12.156 ( -10.444 -8.195 -0.739) 13.296 12.945 ( 2.699 2.440 2.398) 4.357 13.151 ( 6.730 8.928 -2.108) 11.377 14.214 ( -2.456 -3.463 -2.833) 5.104 14.261 ( -4.792 2.781 1.796) 5.824 14.470 ( -2.155 3.771 2.722) 5.126 14.626 ( -2.344 3.678 0.574) 4.399 14.871 ( 5.279 3.721 2.819) 7.047 15.105 ( 2.803 -2.792 -2.015) 4.440 15.204 ( 9.025 -0.496 1.642) 9.186 15.678 ( 15.939 5.661 -2.897) 17.161 16.488 ( -5.156 -4.960 -4.874) 8.657 16.527 ( -4.640 -3.967 3.905) 7.246 19.536 ( -2.595 -0.347 -0.885) 2.764 19.651 ( -3.095 -2.524 0.927) 4.100 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -6.273 7.799 0.270) 10.012 1.558 ( -0.239 5.684 -3.921) 6.909 1.718 ( -6.074 9.861 4.259) 12.340 1.923 ( 3.078 3.021 1.480) 4.560 2.083 ( 2.252 3.221 1.965) 4.394 2.210 ( 1.846 0.213 -2.179) 2.864 2.250 ( 4.390 -0.657 -1.140) 4.583 2.324 ( 1.989 -1.250 0.279) 2.365 2.398 ( 0.626 -1.309 -1.398) 2.015 2.460 ( 6.774 -5.213 -5.473) 10.150 2.625 ( 1.785 5.743 5.420) 8.095 2.675 ( 4.643 -1.420 1.535) 5.092 2.820 ( -2.044 3.169 3.703) 5.285 2.923 ( -2.508 -6.946 1.557) 7.547 3.049 ( 0.029 -0.651 4.350) 4.399 3.074 ( -0.409 -1.566 0.885) 1.845 3.108 ( -1.622 1.785 1.083) 2.644 3.172 ( -0.175 1.970 -1.566) 2.522 3.392 ( 4.267 4.255 1.502) 6.210 3.585 ( 1.716 5.077 -1.232) 5.500 3.673 ( -2.135 0.560 -2.319) 3.201 3.714 ( -6.121 5.657 -3.624) 9.088 3.936 ( -1.716 3.172 -2.765) 4.545 4.094 ( 1.643 0.497 1.074) 2.025 4.225 ( -10.354 -2.059 0.916) 10.597 4.502 ( -5.187 -3.318 -1.341) 6.302 4.645 ( -11.297 -0.927 -2.536) 11.616 4.750 ( -1.814 1.456 4.367) 4.948 5.028 ( -14.872 -6.063 -14.284) 21.493 5.050 ( -3.880 -2.922 4.415) 6.564 5.500 ( -0.731 -3.716 6.587) 7.598 5.595 ( 5.429 -1.271 -1.198) 5.703 5.676 ( -3.391 0.665 -3.537) 4.945 6.107 ( -7.720 -2.581 1.384) 8.257 6.242 ( -14.048 -6.931 -6.779) 17.069 6.529 ( -11.866 3.158 -1.262) 12.344 6.674 ( -3.970 -0.022 7.702) 8.665 6.704 ( -4.801 -5.869 1.700) 7.771 6.993 ( -1.759 0.726 0.252) 1.920 7.142 ( -4.857 -2.789 -0.018) 5.601 7.299 ( -5.792 -2.266 4.242) 7.529 7.510 ( -8.838 -3.344 5.309) 10.839 7.595 ( 5.052 -4.564 -1.104) 6.897 7.994 ( -7.155 -10.168 -4.597) 13.256 8.371 ( -4.279 4.660 -8.517) 10.609 8.411 ( -2.765 -8.306 11.279) 14.278 8.673 ( 9.581 -0.789 8.403) 12.768 8.867 ( 1.801 -6.070 -19.893) 20.876 9.125 ( -16.046 -6.141 -11.748) 20.814 9.615 ( 0.035 0.463 13.517) 13.525 9.709 ( -10.583 -0.604 0.882) 10.637 10.202 ( 7.394 5.079 3.057) 9.477 10.288 ( -7.822 -5.742 5.986) 11.401 10.525 ( -3.237 -2.419 -4.189) 5.821 11.009 ( 1.288 -3.253 2.207) 4.137 11.025 ( 4.226 1.510 1.675) 4.790 11.708 ( 0.578 3.337 -2.882) 4.447 12.076 ( -6.618 -5.220 -0.642) 8.453 12.963 ( 0.744 -0.085 0.128) 0.759 13.149 ( 4.031 11.054 -2.188) 11.968 14.152 ( -6.482 0.131 3.653) 7.442 14.188 ( -3.556 -3.087 -3.961) 6.153 14.407 ( -1.080 5.468 1.953) 5.906 14.552 ( -1.671 5.419 -0.522) 5.695 14.924 ( 4.928 4.801 3.551) 7.742 15.132 ( -0.045 2.512 -0.173) 2.518 15.377 ( 11.139 -0.373 1.433) 11.237 15.910 ( 17.780 6.070 -1.167) 18.824 16.445 ( -4.391 -5.207 -7.468) 10.107 16.513 ( -4.104 -8.091 4.233) 10.011 19.506 ( -1.166 -0.740 -2.338) 2.716 19.620 ( -4.692 -4.718 2.654) 7.163 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -4.794 12.760 8.721) 16.182 1.360 ( -8.753 16.942 11.231) 22.131 1.567 ( -2.216 7.702 -8.394) 11.606 1.881 ( -0.105 7.664 -8.989) 11.813 2.125 ( 3.847 5.150 3.641) 7.387 2.238 ( -0.189 -3.842 0.708) 3.911 2.317 ( -3.891 18.671 8.627) 20.933 2.361 ( 1.814 6.043 -0.230) 6.314 2.413 ( 0.075 -1.342 -0.454) 1.419 2.444 ( 3.947 -0.697 4.222) 5.822 2.651 ( 8.037 -5.069 -4.187) 10.384 2.720 ( 0.057 0.375 2.196) 2.229 2.814 ( -0.547 0.740 4.821) 4.908 2.920 ( -2.574 -8.162 1.330) 8.661 3.030 ( -0.040 0.931 3.067) 3.206 3.120 ( -1.083 -7.522 -6.111) 9.751 3.169 ( 1.179 -1.862 1.168) 2.495 3.202 ( 7.413 0.435 0.097) 7.426 3.421 ( 2.065 2.041 -3.124) 4.265 3.533 ( -0.258 8.664 -12.237) 14.995 3.571 ( -4.955 -1.541 -0.391) 5.204 3.642 ( -1.969 2.368 1.093) 3.268 3.870 ( -3.503 -0.472 0.685) 3.600 4.104 ( 0.894 1.530 0.296) 1.797 4.116 ( -3.587 -1.554 3.654) 5.351 4.456 ( -7.228 0.597 -6.431) 9.693 4.502 ( -4.011 -6.374 2.463) 7.923 4.755 ( 0.367 1.635 2.929) 3.374 4.830 ( -9.391 -10.388 -11.679) 18.235 5.009 ( -4.331 -1.200 4.507) 6.365 5.502 ( -3.226 -2.343 3.532) 5.327 5.575 ( -2.992 3.284 -10.923) 11.792 5.755 ( 6.299 -3.187 5.964) 9.241 6.087 ( 0.009 -5.131 -1.259) 5.283 6.121 ( -3.943 -7.883 3.037) 9.323 6.318 ( -8.616 2.353 1.576) 9.069 6.566 ( -10.166 -3.483 7.274) 12.977 6.655 ( -5.451 -1.635 -0.192) 5.694 6.928 ( -4.747 0.537 0.761) 4.837 7.061 ( -8.194 -6.895 -0.620) 10.727 7.274 ( 0.021 -2.959 1.976) 3.558 7.515 ( 5.164 -3.646 -1.748) 6.559 7.855 ( 19.599 -3.013 -1.221) 19.867 8.013 ( -1.129 -10.923 -0.377) 10.987 8.215 ( -9.488 -0.064 -4.316) 10.423 8.409 ( -7.473 -5.070 3.563) 9.708 8.703 ( -10.006 -2.373 -6.670) 12.257 8.874 ( -14.134 -4.273 -13.818) 20.223 8.981 ( 8.493 -3.232 8.341) 12.335 9.598 ( 0.408 4.659 6.798) 8.251 9.657 ( -2.763 -10.566 -1.734) 11.058 10.096 ( -10.181 5.146 3.167) 11.840 10.245 ( -2.424 -6.137 10.808) 12.663 10.548 ( 2.396 -1.763 -1.595) 3.375 11.048 ( -5.371 -4.330 13.025) 14.739 11.215 ( 16.646 -1.818 -8.898) 18.963 11.709 ( 5.522 5.280 -3.519) 8.412 11.987 ( -8.366 -2.084 -0.669) 8.648 12.981 ( 0.571 -1.782 -1.201) 2.224 13.103 ( 1.753 9.452 -3.290) 10.160 14.050 ( -6.236 -0.844 4.249) 7.593 14.147 ( -2.556 -1.040 -3.850) 4.737 14.339 ( -0.999 5.896 2.003) 6.306 14.477 ( -0.536 6.866 -2.242) 7.243 14.955 ( 3.435 5.214 3.574) 7.194 15.064 ( -2.584 6.944 1.790) 7.622 15.600 ( 13.245 -2.462 2.502) 13.703 16.148 ( 10.402 0.541 3.032) 10.849 16.433 ( 1.072 -2.118 -7.606) 7.968 16.519 ( -2.544 -7.746 -3.701) 8.954 19.515 ( 1.584 -1.723 -2.839) 3.680 19.570 ( -7.610 -6.171 4.605) 10.825 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -2.038 15.257 14.801) 21.354 1.115 ( 0.038 20.127 17.227) 26.493 1.508 ( 3.872 5.229 -11.915) 13.576 1.795 ( 1.421 10.627 -14.847) 18.313 1.923 ( -2.310 35.204 19.311) 40.219 2.139 ( -1.348 3.722 6.328) 7.464 2.277 ( -0.767 -2.352 0.336) 2.497 2.386 ( 0.899 -2.932 -0.451) 3.099 2.425 ( -0.303 -1.032 -0.077) 1.078 2.592 ( 1.230 -4.736 4.348) 6.546 2.643 ( -0.560 2.123 -1.409) 2.609 2.763 ( -3.345 -0.747 0.319) 3.442 2.824 ( 3.741 -0.044 1.066) 3.891 2.951 ( -1.002 -4.276 -0.164) 4.395 3.043 ( 0.883 0.156 -0.600) 1.079 3.150 ( -3.505 -2.376 -1.697) 4.561 3.175 ( 0.375 -4.893 -9.761) 10.925 3.307 ( 2.876 -0.196 -0.559) 2.936 3.405 ( -0.259 2.788 -8.020) 8.495 3.481 ( -0.254 -1.902 -5.112) 5.460 3.511 ( -3.114 1.553 3.205) 4.731 3.617 ( -0.344 -2.546 -1.572) 3.011 3.899 ( 5.773 -2.341 6.426) 8.950 4.080 ( -3.441 0.122 0.181) 3.448 4.115 ( 2.142 0.880 4.185) 4.782 4.351 ( -1.819 0.256 -8.717) 8.908 4.515 ( -0.842 -7.111 1.078) 7.241 4.657 ( -3.833 -0.189 -2.934) 4.830 4.945 ( -2.825 0.123 -0.170) 2.832 5.038 ( 17.882 -6.368 1.562) 19.046 5.400 ( -8.861 2.435 -2.013) 9.407 5.471 ( -4.555 2.239 -6.528) 8.269 5.901 ( 6.336 -5.897 2.246) 8.942 6.140 ( 0.902 -2.211 -3.996) 4.655 6.223 ( 0.971 -5.231 8.313) 9.870 6.270 ( 4.228 -1.024 7.271) 8.473 6.477 ( -2.801 -7.107 10.532) 13.011 6.593 ( -1.157 -2.539 -2.343) 3.644 6.827 ( -3.554 -0.262 4.829) 6.002 7.073 ( 0.947 -8.987 -5.958) 10.824 7.312 ( 0.522 -0.643 0.554) 0.996 7.677 ( 8.110 -4.213 -14.354) 17.017 7.985 ( -10.432 1.095 3.078) 10.932 8.133 ( -2.475 -6.939 4.655) 8.714 8.166 ( 1.143 -6.628 -1.576) 6.908 8.444 ( 21.151 -4.486 3.109) 21.844 8.491 ( -15.594 -1.971 -7.821) 17.556 8.684 ( -8.591 -6.500 -6.765) 12.721 9.173 ( 10.376 3.543 10.000) 14.840 9.552 ( -2.288 1.859 2.772) 4.047 9.698 ( -7.342 -5.353 -0.118) 9.087 9.965 ( 3.871 -0.819 0.580) 4.000 10.371 ( 8.139 -8.578 6.666) 13.574 10.620 ( 3.700 -3.323 4.776) 6.895 10.895 ( -16.328 -1.651 9.340) 18.883 11.483 ( 10.954 -1.639 -6.077) 12.633 11.750 ( -5.678 0.163 0.655) 5.718 11.865 ( 1.849 1.945 -2.700) 3.807 12.978 ( -3.808 0.435 -0.238) 3.840 13.066 ( 2.905 4.411 -5.279) 7.468 13.974 ( -2.724 0.279 4.107) 4.936 14.130 ( 1.540 1.416 -2.648) 3.375 14.290 ( 0.169 3.256 1.151) 3.458 14.413 ( 0.404 6.770 -2.615) 7.268 14.953 ( -1.977 8.352 2.718) 9.003 14.956 ( 1.429 4.703 3.155) 5.841 15.834 ( 7.329 -3.818 5.614) 9.990 16.139 ( -9.851 -1.084 -4.630) 10.939 16.386 ( -9.778 -5.045 2.689) 11.327 16.731 ( 18.743 -3.672 -15.915) 24.861 19.469 ( -9.200 -3.511 5.853) 11.455 19.586 ( 3.894 -3.437 -0.670) 5.237 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 10.642 13.370 10.820) 20.226 1.043 ( 8.971 19.785 14.368) 26.046 1.562 ( 4.960 2.625 -13.660) 14.768 1.724 ( 9.766 25.677 25.687) 37.610 1.744 ( 6.530 11.406 -14.067) 19.252 2.050 ( -3.851 5.035 7.339) 9.698 2.245 ( -4.037 -0.360 0.087) 4.054 2.411 ( -1.718 -0.525 1.607) 2.411 2.452 ( 0.972 -7.365 0.435) 7.442 2.538 ( -4.555 -1.288 2.532) 5.368 2.667 ( -3.179 -1.714 -0.138) 3.614 2.712 ( -3.697 -1.393 -1.281) 4.153 2.817 ( -1.874 3.155 0.198) 3.675 2.936 ( -3.945 -0.899 0.154) 4.050 3.050 ( 0.270 -0.913 -4.795) 4.889 3.092 ( -0.202 0.584 -1.160) 1.315 3.231 ( 4.857 4.355 -15.185) 16.527 3.304 ( -2.123 -1.323 -3.714) 4.478 3.345 ( -4.894 2.439 -1.058) 5.570 3.470 ( 0.342 -6.701 -2.514) 7.165 3.574 ( 3.509 -4.668 2.709) 6.437 3.652 ( 1.452 -3.442 -0.001) 3.736 3.994 ( -1.253 -0.572 -0.100) 1.381 4.041 ( 1.648 0.192 4.059) 4.385 4.230 ( 10.828 -3.139 3.024) 11.672 4.369 ( 4.284 -0.618 -8.214) 9.285 4.602 ( -0.599 -5.062 -0.544) 5.127 4.644 ( 4.348 -1.289 2.318) 5.093 4.956 ( 5.034 -0.007 -3.181) 5.955 5.200 ( -7.893 3.490 5.605) 10.291 5.333 ( -1.983 5.219 -9.578) 11.086 5.492 ( 18.996 -5.329 -0.532) 19.737 6.069 ( 5.908 -5.133 0.029) 7.827 6.103 ( -6.916 -0.328 -6.478) 9.482 6.253 ( 5.581 -0.430 5.770) 8.038 6.347 ( 2.825 -4.606 5.812) 7.936 6.615 ( 3.247 -5.873 6.907) 9.630 6.683 ( 7.909 -3.704 -0.216) 8.736 6.979 ( 16.883 -6.887 11.653) 21.639 7.187 ( 2.151 -9.381 -3.437) 10.220 7.288 ( -2.351 -0.164 -1.279) 2.682 7.695 ( -5.395 6.301 -8.185) 11.653 7.796 ( -9.491 -0.038 8.124) 12.493 7.991 ( -9.296 1.672 -1.845) 9.624 8.364 ( 4.644 -12.568 -4.774) 14.224 8.381 ( 6.336 -1.908 1.522) 6.789 8.672 ( 1.355 -8.819 -1.578) 9.061 9.008 ( 29.835 -7.417 -8.486) 31.892 9.189 ( -6.811 2.306 2.044) 7.476 9.500 ( -0.238 3.277 -3.262) 4.630 9.702 ( 7.456 -5.976 7.225) 11.979 10.106 ( 6.177 -0.220 5.344) 8.171 10.549 ( -18.092 -5.023 3.813) 19.160 10.575 ( -1.878 -4.486 -1.384) 5.056 10.821 ( 13.724 -2.859 5.793) 15.168 11.425 ( -18.760 -1.737 5.231) 19.553 11.697 ( 4.438 -2.880 -2.057) 5.676 11.987 ( 10.595 2.081 -3.840) 11.460 12.859 ( -8.080 1.057 -1.626) 8.310 13.066 ( 0.569 4.911 -1.955) 5.316 13.990 ( 4.649 -0.510 2.923) 5.515 14.177 ( 5.609 1.729 -1.262) 6.003 14.293 ( 1.592 0.302 0.173) 1.630 14.368 ( 0.655 4.793 -1.414) 5.040 14.883 ( 2.039 7.130 1.274) 7.524 14.929 ( -0.319 4.020 3.023) 5.040 15.711 ( -19.047 10.294 6.127) 22.501 15.921 ( -16.063 0.495 -3.783) 16.510 16.360 ( 4.280 -4.580 -4.671) 7.818 16.961 ( 0.222 -7.891 -4.421) 9.048 19.406 ( 2.222 0.279 0.547) 2.305 19.684 ( 2.742 -4.203 3.486) 6.110 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.078 0.000 3.945) 4.459 1.505 ( 1.280 -0.000 -6.759) 6.879 1.751 ( 3.659 -0.000 -2.365) 4.357 1.757 ( 3.529 -0.000 3.034) 4.654 2.031 ( 4.850 -0.000 5.403) 7.261 2.103 ( 1.750 -0.000 -3.542) 3.951 2.248 ( -0.642 0.000 3.736) 3.790 2.297 ( 4.700 -0.000 0.168) 4.703 2.392 ( 5.868 -0.000 -5.562) 8.086 2.449 ( -0.247 0.000 -1.097) 1.125 2.527 ( 4.608 -0.000 0.998) 4.714 2.565 ( -3.138 0.000 -0.684) 3.212 2.597 ( -5.489 0.000 1.978) 5.835 2.864 ( -2.033 0.000 -0.341) 2.062 2.943 ( 0.817 -0.000 -1.392) 1.614 3.002 ( -0.105 0.000 3.662) 3.664 3.226 ( 1.153 -0.000 -0.423) 1.228 3.386 ( 1.323 -0.000 2.083) 2.467 3.446 ( -2.483 0.000 3.049) 3.932 3.483 ( -1.126 0.000 -5.928) 6.034 3.871 ( 3.963 -0.000 -3.347) 5.187 3.980 ( 0.429 -0.000 0.604) 0.741 4.028 ( 4.286 -0.000 5.308) 6.822 4.062 ( -1.495 0.000 0.255) 1.516 4.332 ( -2.591 0.000 0.846) 2.725 4.676 ( -4.885 0.000 -1.247) 5.041 4.885 ( 0.529 -0.000 2.753) 2.803 5.046 ( 2.129 -0.000 -4.499) 4.977 5.174 ( -10.619 0.000 -3.283) 11.115 5.275 ( -2.757 0.000 -10.246) 10.610 5.364 ( 0.198 -0.000 3.048) 3.055 5.497 ( -2.864 0.000 2.476) 3.786 5.990 ( -6.987 0.000 -1.631) 7.175 6.364 ( -5.601 0.000 -4.286) 7.053 6.549 ( 0.030 -0.000 14.747) 14.747 6.625 ( -5.217 0.000 -5.094) 7.291 6.739 ( -15.653 0.000 0.872) 15.677 7.102 ( -9.703 0.000 -0.091) 9.704 7.138 ( -3.106 0.000 3.409) 4.612 7.190 ( -8.468 0.000 -0.629) 8.491 7.626 ( 1.312 -0.000 -1.372) 1.898 7.685 ( -13.937 0.000 10.041) 17.178 7.712 ( -2.816 0.000 -16.126) 16.370 8.107 ( -11.877 0.000 0.590) 11.892 8.325 ( 0.308 -0.000 14.591) 14.594 8.409 ( 12.554 -0.000 -14.651) 19.294 8.571 ( -3.542 0.000 5.391) 6.450 8.633 ( -6.941 0.000 9.270) 11.581 9.169 ( 9.182 -0.000 11.128) 14.428 9.673 ( -13.773 0.000 -14.497) 19.996 9.704 ( 16.026 -0.000 -11.249) 19.580 10.352 ( 8.359 -0.000 -6.363) 10.505 10.364 ( -11.739 0.000 4.777) 12.674 10.482 ( -13.272 0.000 -2.781) 13.560 11.109 ( 3.665 -0.000 15.024) 15.464 11.292 ( -5.097 0.000 -6.588) 8.329 11.669 ( -3.466 0.000 -1.837) 3.923 12.221 ( -13.543 0.000 1.760) 13.657 12.952 ( 4.739 -0.000 -2.832) 5.521 13.104 ( 10.673 -0.000 5.004) 11.788 14.187 ( -1.102 0.000 -0.420) 1.180 14.387 ( 0.785 -0.000 -2.933) 3.036 14.593 ( -6.774 0.000 9.005) 11.269 14.752 ( -3.862 0.000 -7.856) 8.754 14.797 ( 3.049 -0.000 6.099) 6.819 14.987 ( 4.298 -0.000 -2.437) 4.941 14.996 ( 11.165 -0.000 3.560) 11.719 15.497 ( 14.241 -0.000 -4.924) 15.068 16.535 ( -6.595 0.000 -2.437) 7.031 16.559 ( -4.457 0.000 2.082) 4.919 19.584 ( -3.217 0.000 0.702) 3.293 19.672 ( -2.213 0.000 -0.685) 2.316 ======================= Grid point 139 (60/117) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -2.034 -0.988 1.644) 2.796 1.540 ( 3.489 0.056 -6.882) 7.716 1.843 ( 6.634 1.464 2.715) 7.316 1.869 ( 7.513 -0.205 1.162) 7.605 2.091 ( 1.290 -0.869 5.725) 5.933 2.157 ( 3.542 -0.512 -4.403) 5.674 2.218 ( -1.442 -0.193 3.905) 4.167 2.335 ( -2.209 -0.361 -2.712) 3.516 2.406 ( -0.712 4.608 -0.799) 4.731 2.472 ( -2.330 4.600 -3.203) 6.070 2.503 ( 4.544 -2.900 -2.220) 5.830 2.540 ( 0.996 -1.312 1.918) 2.529 2.689 ( 8.670 -4.930 0.916) 10.016 2.837 ( -2.737 -2.746 0.855) 3.970 2.954 ( -0.221 -1.633 -1.758) 2.409 3.024 ( 1.368 -0.785 0.083) 1.579 3.218 ( 0.044 3.382 0.758) 3.467 3.392 ( -2.294 0.814 1.349) 2.783 3.417 ( 2.510 3.233 5.593) 6.931 3.517 ( 1.853 -4.453 -1.482) 5.046 3.873 ( -0.227 6.379 0.399) 6.395 3.953 ( -2.848 2.730 -4.171) 5.741 4.054 ( -0.363 2.478 2.029) 3.223 4.055 ( 0.810 -0.515 2.253) 2.449 4.289 ( -4.401 -1.961 2.130) 5.268 4.581 ( -5.769 0.778 -2.569) 6.363 4.866 ( -5.202 2.603 4.754) 7.513 4.916 ( -11.514 2.735 -2.279) 12.052 5.028 ( -6.618 -4.220 -1.404) 7.973 5.158 ( -10.958 -2.244 -13.756) 17.730 5.429 ( 2.045 0.013 4.975) 5.379 5.449 ( -0.170 -2.786 3.945) 4.833 5.851 ( -6.240 3.571 -4.265) 8.359 6.251 ( -10.203 -4.883 -0.749) 11.336 6.347 ( -18.499 0.140 -5.601) 19.329 6.598 ( 1.166 -1.378 7.000) 7.229 6.637 ( -2.904 -2.729 1.967) 4.444 6.912 ( -10.310 4.686 -1.675) 11.448 7.016 ( -6.870 -0.758 1.486) 7.070 7.119 ( -2.241 -2.493 0.439) 3.381 7.497 ( -10.672 1.963 4.445) 11.726 7.566 ( -4.930 0.693 -1.535) 5.210 7.604 ( -11.427 -3.002 -4.742) 12.731 7.935 ( -10.081 -4.427 1.632) 11.131 8.294 ( -5.663 -2.352 15.555) 16.720 8.484 ( 2.018 0.548 13.185) 13.350 8.553 ( -0.051 1.611 -5.016) 5.269 8.710 ( 11.072 -2.019 -23.760) 26.290 9.284 ( -2.182 6.077 0.867) 6.514 9.442 ( -8.353 -10.265 -1.663) 13.339 10.016 ( 17.312 2.491 -3.952) 17.931 10.113 ( -9.736 6.796 -0.793) 11.899 10.284 ( -12.747 -6.245 1.687) 14.294 10.478 ( 4.190 -2.097 0.347) 4.699 11.089 ( -9.086 2.217 4.569) 10.409 11.107 ( -7.528 0.616 3.309) 8.246 11.707 ( 4.282 -0.365 -5.089) 6.661 12.049 ( -7.717 -3.327 1.758) 8.585 12.987 ( 0.820 1.595 -1.408) 2.280 13.258 ( 8.213 3.120 1.559) 8.923 14.163 ( -2.585 -1.774 -1.949) 3.692 14.335 ( -5.177 3.882 2.557) 6.958 14.516 ( -1.568 1.290 2.160) 2.965 14.676 ( -2.637 2.117 -2.384) 4.138 14.879 ( 4.186 -2.366 4.111) 6.326 15.063 ( 4.704 -0.863 -2.069) 5.211 15.201 ( 11.533 0.110 4.765) 12.479 15.748 ( 16.312 2.118 -6.143) 17.558 16.419 ( -7.481 -2.329 -3.287) 8.496 16.477 ( -5.905 -1.541 2.798) 6.713 19.532 ( -2.768 -0.115 -0.574) 2.829 19.623 ( -3.792 -0.786 0.630) 3.924 ======================= Grid point 140 (61/117) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.895 4.321 1.282) 4.595 1.609 ( 5.107 0.898 -6.558) 8.360 1.882 ( -1.266 7.438 4.654) 8.865 1.949 ( 1.146 0.651 3.702) 3.929 2.127 ( 3.894 2.200 4.146) 6.099 2.186 ( 3.496 -2.790 0.912) 4.565 2.263 ( 0.758 0.572 -1.046) 1.413 2.285 ( 0.133 -3.152 -3.813) 4.949 2.397 ( -1.556 2.468 -5.363) 6.105 2.405 ( 3.488 -0.317 -3.133) 4.700 2.596 ( 1.861 -6.918 1.791) 7.384 2.634 ( 5.771 -1.063 3.736) 6.956 2.802 ( -3.772 -5.399 1.702) 6.802 2.888 ( 7.608 1.747 -1.588) 7.965 2.964 ( 0.746 -3.455 -0.060) 3.536 3.058 ( 2.135 -0.236 0.004) 2.148 3.182 ( -1.089 2.538 1.462) 3.125 3.284 ( -6.033 6.741 4.232) 9.987 3.462 ( 4.222 2.785 5.310) 7.333 3.594 ( 2.558 -1.330 -2.275) 3.673 3.773 ( -3.140 8.342 0.809) 8.950 3.841 ( -3.207 7.260 -4.600) 9.173 3.997 ( -2.833 2.932 -1.340) 4.291 4.090 ( 1.617 -0.950 1.515) 2.411 4.188 ( -9.744 -2.266 1.994) 10.201 4.460 ( -7.122 -0.288 -1.306) 7.246 4.621 ( -13.829 -1.614 -0.124) 13.924 4.821 ( -3.198 5.439 1.971) 6.610 4.900 ( -15.104 -6.045 -7.138) 17.765 5.018 ( -3.418 -2.619 -5.110) 6.683 5.386 ( -5.346 -7.274 5.432) 10.536 5.584 ( 8.556 0.135 6.388) 10.679 5.734 ( -2.754 4.527 -8.498) 10.015 6.077 ( -10.860 -1.697 1.536) 11.099 6.111 ( -13.540 -6.902 -3.439) 15.582 6.562 ( -7.901 0.280 -1.698) 8.086 6.611 ( -4.761 -3.492 0.606) 5.936 6.702 ( -7.687 2.641 2.176) 8.414 6.994 ( -0.082 -0.907 2.789) 2.934 7.107 ( -2.427 -1.171 1.917) 3.308 7.279 ( -12.446 0.066 1.960) 12.600 7.452 ( -6.684 -2.888 2.706) 7.768 7.526 ( 2.450 -2.982 -2.618) 4.663 7.835 ( -7.384 -7.184 -1.555) 10.419 8.225 ( -9.567 -8.399 9.166) 15.687 8.486 ( 1.170 6.139 -6.214) 8.813 8.652 ( 10.297 -2.644 12.424) 16.351 8.813 ( 0.074 -1.075 -25.317) 25.340 9.020 ( -18.933 -4.503 -9.607) 21.704 9.532 ( 2.409 -4.212 9.320) 10.508 9.818 ( -9.937 6.758 4.562) 12.854 10.137 ( -9.543 -7.372 -0.375) 12.065 10.322 ( 9.069 4.959 5.607) 11.759 10.503 ( -1.103 -0.890 0.167) 1.427 10.964 ( -2.519 -0.574 2.628) 3.686 11.032 ( 0.395 -1.574 0.694) 1.765 11.756 ( 3.120 1.950 -8.005) 8.810 12.008 ( -2.018 -2.418 4.213) 5.260 12.965 ( -1.656 0.280 -0.454) 1.740 13.322 ( 4.777 7.708 -2.542) 9.418 14.128 ( -3.748 -2.871 -2.366) 5.281 14.192 ( -6.794 3.478 3.608) 8.442 14.494 ( 0.637 3.702 0.122) 3.758 14.619 ( -1.815 2.552 0.741) 3.218 14.975 ( 5.009 -0.068 4.225) 6.553 15.149 ( 4.405 -0.011 -2.090) 4.876 15.381 ( 10.044 1.676 5.473) 11.561 15.988 ( 14.861 2.978 -5.051) 15.976 16.334 ( -5.824 -6.396 -6.241) 10.667 16.402 ( -6.124 -4.322 3.715) 8.366 19.495 ( -1.548 -0.401 -1.664) 2.308 19.562 ( -4.817 -1.989 1.885) 5.542 ======================= Grid point 141 (62/117) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.962 10.826 5.393) 12.133 1.608 ( -1.090 9.761 -0.497) 9.834 1.729 ( -4.374 11.295 3.072) 12.496 1.951 ( 1.031 -0.085 0.422) 1.117 2.179 ( 2.447 2.401 4.211) 5.430 2.248 ( 0.736 4.742 -7.092) 8.563 2.312 ( 3.730 -6.395 1.424) 7.539 2.336 ( 2.822 -4.100 -1.401) 5.170 2.384 ( 2.270 -0.310 -3.186) 3.925 2.534 ( 6.871 -6.560 -2.342) 9.784 2.693 ( 1.721 -6.440 3.285) 7.431 2.698 ( 0.470 2.728 4.886) 5.616 2.782 ( -3.597 -4.747 1.650) 6.181 2.862 ( -3.511 7.397 0.176) 8.190 2.992 ( -1.341 0.303 -0.288) 1.404 3.086 ( 0.287 0.380 3.464) 3.497 3.145 ( -1.882 0.858 1.909) 2.815 3.234 ( 7.074 2.444 5.174) 9.098 3.483 ( 1.126 4.444 -1.734) 4.901 3.567 ( -3.009 1.558 -2.670) 4.314 3.664 ( -2.590 4.928 -1.587) 5.789 3.741 ( -0.538 9.552 -7.043) 11.880 3.895 ( -5.839 2.400 0.776) 6.361 4.084 ( -2.994 -2.001 3.981) 5.368 4.122 ( 1.740 0.118 -0.713) 1.884 4.383 ( -6.157 -6.163 4.899) 9.995 4.471 ( -5.675 0.525 -6.697) 8.794 4.651 ( -11.027 -8.978 -11.631) 18.370 4.795 ( 0.199 3.228 3.909) 5.073 4.987 ( -2.590 -1.409 0.625) 3.014 5.407 ( -1.871 -7.890 1.401) 8.229 5.633 ( -4.651 3.309 -9.987) 11.503 5.726 ( 5.752 -0.139 9.614) 11.204 5.968 ( -5.981 -7.987 -3.048) 10.433 6.026 ( 0.475 -3.167 8.802) 9.367 6.367 ( -9.230 2.561 -2.297) 9.850 6.511 ( -9.911 -2.576 -1.572) 10.360 6.626 ( -3.417 -1.257 3.569) 5.098 6.952 ( -4.573 1.015 -2.289) 5.214 6.977 ( -11.443 -2.327 4.004) 12.345 7.218 ( 2.202 -2.944 0.545) 3.716 7.444 ( 1.630 -4.132 0.326) 4.454 7.759 ( 18.171 -6.914 -3.228) 19.707 7.829 ( -1.362 -9.339 -0.523) 9.453 8.121 ( -11.838 -7.867 5.376) 15.197 8.411 ( -5.402 3.931 -7.732) 10.218 8.659 ( -13.661 -3.179 -8.282) 16.289 8.786 ( -14.031 -5.667 -17.976) 23.497 8.916 ( 14.549 -2.691 13.295) 19.891 9.546 ( -2.102 -2.777 -0.743) 3.561 9.699 ( -0.686 5.718 9.620) 11.212 10.102 ( -1.392 -7.458 -1.129) 7.670 10.217 ( -10.567 5.721 12.984) 17.691 10.512 ( -0.859 -2.506 -0.239) 2.660 10.992 ( -1.419 -1.596 9.213) 9.457 11.179 ( 14.381 -2.789 -9.806) 17.628 11.792 ( 5.821 3.799 -7.174) 9.989 11.967 ( -6.029 -0.006 4.327) 7.421 12.948 ( -0.577 -1.699 0.840) 1.981 13.284 ( 0.861 10.317 -6.103) 12.017 14.049 ( -5.763 0.755 3.998) 7.054 14.115 ( -1.880 -2.153 -2.921) 4.087 14.459 ( 0.286 6.646 1.602) 6.842 14.569 ( -0.942 3.452 -0.026) 3.578 15.044 ( 3.997 3.436 3.946) 6.585 15.174 ( 1.124 5.882 -0.962) 6.065 15.545 ( 9.071 -2.453 5.906) 11.099 16.146 ( 3.069 -0.241 1.684) 3.509 16.350 ( -6.477 -6.535 4.464) 10.227 16.373 ( 5.920 -8.303 -15.179) 18.287 19.490 ( 0.368 -1.141 -1.991) 2.324 19.498 ( -5.210 -2.459 2.858) 6.431 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.158 14.919 10.053) 17.991 1.458 ( 0.567 18.464 12.665) 22.398 1.612 ( 0.836 6.630 -8.029) 10.446 1.948 ( 1.256 6.094 -6.895) 9.288 2.177 ( -1.337 -0.099 5.492) 5.653 2.231 ( 0.851 2.186 -3.698) 4.379 2.336 ( -3.958 -0.923 -1.314) 4.271 2.388 ( 0.286 -2.239 -0.688) 2.360 2.491 ( 3.380 -2.629 2.545) 4.982 2.537 ( -1.154 20.179 6.389) 21.198 2.695 ( 1.297 -5.466 -1.799) 5.899 2.725 ( -1.173 4.250 1.761) 4.747 2.776 ( -1.210 -6.579 2.515) 7.147 2.823 ( 0.807 -7.892 1.374) 8.051 3.022 ( 1.536 -4.214 1.122) 4.624 3.089 ( -2.448 -3.374 0.295) 4.179 3.115 ( 1.008 3.473 2.546) 4.422 3.279 ( -2.693 -0.991 3.566) 4.577 3.455 ( 0.990 1.784 -4.364) 4.817 3.533 ( -3.190 4.592 -8.967) 10.567 3.590 ( 3.207 2.961 -1.367) 4.574 3.625 ( -2.745 8.219 -4.827) 9.919 3.877 ( 6.490 -0.253 6.159) 8.951 4.078 ( -1.852 -0.427 0.641) 2.006 4.127 ( -0.966 0.546 1.264) 1.681 4.340 ( -3.681 -4.096 -4.331) 7.006 4.378 ( -2.903 -5.730 -2.444) 6.873 4.639 ( -0.008 -1.626 -5.315) 5.558 4.929 ( 13.043 -4.736 1.843) 13.998 4.959 ( 2.275 0.758 -0.092) 2.400 5.405 ( -4.904 -2.315 -1.092) 5.532 5.482 ( -8.800 -0.359 -5.534) 10.401 5.821 ( 4.439 -3.417 3.484) 6.597 6.017 ( 1.888 -7.598 4.514) 9.037 6.192 ( 8.507 -1.640 5.716) 10.380 6.271 ( 2.869 0.975 6.678) 7.333 6.388 ( -4.285 -3.360 -0.987) 5.534 6.570 ( -3.334 -0.130 -0.920) 3.461 6.815 ( -5.546 -1.189 2.287) 6.116 6.944 ( 0.168 -5.175 -4.978) 7.183 7.292 ( 1.829 -1.629 2.214) 3.302 7.570 ( 7.314 -7.702 -10.146) 14.689 7.894 ( -7.787 -9.934 4.062) 13.259 8.005 ( -1.431 -6.359 5.581) 8.581 8.112 ( 2.334 -0.666 -6.467) 6.908 8.330 ( 10.819 -8.336 3.246) 14.039 8.466 ( -12.006 -0.942 -9.963) 15.630 8.583 ( -9.746 -3.815 -9.422) 14.083 9.189 ( 12.080 -1.394 9.084) 15.179 9.570 ( -1.233 -4.736 -8.778) 10.050 9.650 ( 0.137 4.994 10.143) 11.307 10.017 ( -2.108 4.981 4.850) 7.264 10.240 ( 7.405 -6.931 7.812) 12.802 10.534 ( -0.849 -5.374 2.317) 5.913 10.891 ( -10.826 0.620 6.627) 12.708 11.449 ( 13.255 -2.579 -11.123) 17.495 11.769 ( -13.756 1.745 2.993) 14.186 11.896 ( 6.610 2.163 -1.832) 7.192 12.970 ( 0.153 -0.701 1.948) 2.076 13.185 ( -0.539 8.495 -7.768) 11.523 13.977 ( -2.371 0.208 3.936) 4.600 14.127 ( 1.791 -1.467 -2.833) 3.659 14.395 ( -0.100 7.854 2.391) 8.211 14.527 ( 0.252 4.974 -1.426) 5.180 15.053 ( 1.269 5.276 2.949) 6.176 15.095 ( -1.731 8.842 0.849) 9.050 15.735 ( 6.170 -6.987 8.423) 12.563 16.115 ( -6.598 -1.260 -3.784) 7.710 16.291 ( -6.682 -5.310 2.228) 8.821 16.597 ( 9.432 -10.576 -12.293) 18.759 19.433 ( -4.056 -1.065 3.242) 5.301 19.531 ( 2.530 -2.601 -1.101) 3.792 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 6.383 14.232 7.201) 17.179 1.378 ( 7.730 18.593 13.330) 24.148 1.615 ( 3.563 3.201 -9.894) 10.993 1.897 ( 1.587 7.614 -9.498) 12.276 2.098 ( -4.167 9.677 5.909) 12.079 2.182 ( -2.252 2.223 3.377) 4.627 2.304 ( 2.036 4.204 1.882) 5.036 2.376 ( 1.662 6.914 3.143) 7.774 2.406 ( -2.099 1.375 0.524) 2.563 2.486 ( -7.345 -3.880 1.251) 8.401 2.667 ( -3.679 1.171 1.674) 4.208 2.704 ( 1.210 2.782 -0.651) 3.102 2.839 ( -0.875 -3.317 3.101) 4.624 2.890 ( -2.354 -4.497 0.162) 5.078 3.014 ( -4.870 -2.623 -1.869) 5.839 3.079 ( 1.587 -1.929 3.480) 4.284 3.160 ( 2.707 -4.521 -0.502) 5.293 3.281 ( 0.297 -4.561 0.775) 4.636 3.401 ( -6.506 -0.702 -4.901) 8.176 3.457 ( 0.296 6.448 -9.891) 11.811 3.555 ( 4.496 4.606 -1.669) 6.649 3.641 ( 3.714 2.706 0.961) 4.695 3.995 ( 0.362 0.733 -1.142) 1.404 4.047 ( 2.559 0.391 2.648) 3.703 4.177 ( 7.604 -3.043 4.337) 9.268 4.351 ( 2.200 -2.189 -6.656) 7.344 4.471 ( 4.404 -8.096 -1.328) 9.311 4.659 ( 3.393 1.970 1.587) 4.233 4.961 ( 4.291 0.675 -5.485) 6.996 5.259 ( -7.826 3.031 3.854) 9.235 5.316 ( 9.064 -7.481 -7.987) 14.209 5.424 ( 7.763 -1.645 3.385) 8.627 5.966 ( 6.826 -7.003 -0.726) 9.806 6.108 ( -9.520 -2.954 3.954) 10.723 6.146 ( 4.922 -2.724 -4.905) 7.464 6.370 ( 6.215 4.432 2.552) 8.049 6.568 ( 13.198 -1.827 12.579) 18.324 6.609 ( 5.974 -4.400 -1.818) 7.639 6.866 ( 10.136 -5.517 4.464) 12.373 7.024 ( 1.694 -8.335 -3.522) 9.206 7.285 ( -3.154 -0.320 -0.195) 3.177 7.735 ( 2.732 -2.750 -10.886) 11.555 7.766 ( -9.511 -4.138 7.281) 12.673 7.975 ( -5.431 -2.367 0.502) 5.946 8.176 ( -0.804 -7.770 -2.709) 8.268 8.319 ( 3.576 -5.868 -0.370) 6.881 8.523 ( -1.759 -5.026 -1.683) 5.585 8.837 ( 27.518 -11.779 -6.267) 30.582 9.236 ( -7.906 3.275 -1.522) 8.691 9.545 ( 0.077 2.966 0.193) 2.973 9.701 ( 10.258 -0.115 6.331) 12.055 10.114 ( 11.323 1.737 4.254) 12.220 10.417 ( -0.790 -7.228 -10.457) 12.736 10.489 ( -13.009 -5.187 22.824) 26.778 10.809 ( 9.752 -0.187 -2.338) 10.030 11.417 ( -21.069 0.712 6.125) 21.953 11.654 ( 5.251 -2.285 -9.942) 11.474 12.002 ( 7.087 0.545 0.042) 7.108 12.898 ( -6.707 3.545 -1.195) 7.680 13.153 ( 3.148 4.962 -3.171) 6.678 13.982 ( 2.699 -0.598 2.943) 4.037 14.191 ( 4.678 -0.295 -2.424) 5.277 14.342 ( 1.163 5.661 1.577) 5.991 14.482 ( 0.556 6.751 -1.416) 6.920 14.995 ( -1.286 5.659 2.849) 6.465 15.015 ( -0.392 5.939 1.676) 6.183 15.792 ( -8.677 -2.138 11.266) 14.380 15.929 ( -13.923 2.037 -8.536) 16.458 16.279 ( 2.520 -4.283 -3.454) 6.051 16.787 ( 1.136 -11.746 -4.993) 12.813 19.412 ( 1.940 0.379 0.547) 2.050 19.609 ( 2.612 -4.030 1.579) 5.055 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 12.227 8.556 1.991) 15.056 1.410 ( 12.733 17.974 8.635) 23.660 1.557 ( -5.597 3.430 -12.274) 13.919 1.901 ( 5.766 3.034 -2.267) 6.899 1.997 ( 1.141 8.767 1.494) 8.967 2.131 ( -3.997 -0.093 3.731) 5.468 2.256 ( 4.620 15.461 7.998) 18.010 2.375 ( -5.089 -4.398 1.327) 6.856 2.390 ( -1.441 -2.807 -0.476) 3.191 2.426 ( 0.177 -3.914 1.054) 4.057 2.556 ( -7.414 1.672 3.235) 8.260 2.695 ( 1.733 5.042 -0.112) 5.332 2.786 ( -7.101 0.771 -1.284) 7.257 2.835 ( -1.688 -3.066 3.845) 5.199 3.041 ( 0.582 -3.608 -1.253) 3.863 3.123 ( -1.097 -0.659 -2.628) 2.923 3.185 ( -3.072 -1.250 4.235) 5.379 3.266 ( -2.357 3.544 -5.270) 6.774 3.377 ( 2.101 -8.043 -2.819) 8.778 3.460 ( 6.101 0.440 -10.011) 11.732 3.639 ( 6.353 0.768 1.012) 6.479 3.666 ( 1.554 1.894 1.284) 2.766 3.960 ( -2.342 1.345 -2.705) 3.822 4.079 ( 1.087 -0.119 2.306) 2.552 4.391 ( 8.743 -4.951 3.433) 10.618 4.450 ( 8.604 -2.330 -4.994) 10.218 4.585 ( 4.452 -1.739 -2.547) 5.416 4.731 ( 5.556 1.265 0.436) 5.715 5.048 ( 1.119 0.462 7.647) 7.742 5.149 ( 2.661 0.505 -8.306) 8.736 5.306 ( -1.281 1.256 -5.055) 5.364 5.688 ( 3.134 -1.517 -2.164) 4.099 6.021 ( 4.511 -4.917 2.531) 7.136 6.155 ( 7.253 -3.508 -1.393) 8.176 6.294 ( 6.313 -7.046 0.314) 9.466 6.501 ( 12.944 2.374 -1.177) 13.212 6.707 ( 6.073 2.599 6.814) 9.490 6.785 ( 7.458 -2.085 -0.980) 7.806 7.116 ( 1.943 -9.790 5.052) 11.187 7.203 ( 11.135 -7.499 0.782) 13.448 7.234 ( -0.341 -3.741 3.439) 5.093 7.626 ( -7.384 5.639 0.284) 9.295 7.751 ( 4.501 -0.803 8.503) 9.655 7.951 ( 1.655 0.274 -2.503) 3.013 8.242 ( -0.601 -9.966 -10.211) 14.281 8.559 ( 8.766 -8.167 11.294) 16.465 8.608 ( 4.541 -9.817 -4.674) 11.783 9.005 ( -11.943 0.799 -6.329) 13.540 9.330 ( 15.065 -6.077 -18.322) 24.486 9.604 ( 12.617 0.453 8.530) 15.237 9.879 ( 2.614 0.675 3.051) 4.074 10.129 ( -11.554 1.019 6.701) 13.396 10.256 ( 1.416 3.352 10.223) 10.851 10.550 ( 2.917 -8.506 -14.116) 16.737 11.038 ( 8.535 3.565 3.619) 9.932 11.059 ( -17.939 -3.252 3.671) 18.597 11.772 ( 8.358 -5.325 3.217) 10.419 12.148 ( 9.392 -2.963 -4.628) 10.881 12.727 ( -9.089 3.359 -1.219) 9.766 13.127 ( -0.163 8.115 -0.467) 8.130 14.088 ( 7.459 -2.917 1.493) 8.147 14.274 ( 4.879 -0.105 -2.399) 5.438 14.340 ( 2.353 2.541 0.905) 3.579 14.424 ( -0.199 6.419 -0.335) 6.431 14.942 ( -2.784 3.957 4.121) 6.355 14.978 ( 2.742 3.310 0.302) 4.309 15.508 ( -16.367 11.518 5.661) 20.799 15.652 ( -15.033 1.895 -5.273) 16.043 16.411 ( 6.160 -5.385 -2.781) 8.642 16.832 ( -4.283 -6.955 1.078) 8.239 19.494 ( 6.494 -1.025 -3.773) 7.580 19.676 ( 0.556 -3.941 3.977) 5.626 ======================= Grid point 149 (66/117) ======================= q-point: (-0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 2.385 -0.000 2.188) 3.237 1.614 ( 5.654 -0.000 -6.473) 8.595 1.938 ( 0.541 -0.000 4.358) 4.392 1.969 ( 3.782 -0.000 1.773) 4.177 2.108 ( 2.085 -0.000 2.015) 2.899 2.216 ( 3.316 -0.000 5.032) 6.027 2.246 ( -5.297 0.000 1.189) 5.428 2.247 ( 5.255 -0.000 -5.050) 7.288 2.428 ( -3.237 0.000 -5.446) 6.336 2.430 ( 1.588 -0.000 -3.446) 3.794 2.504 ( 0.531 -0.000 0.444) 0.692 2.624 ( 5.706 -0.000 3.095) 6.492 2.746 ( -3.060 0.000 1.041) 3.233 2.900 ( 7.119 -0.000 -2.260) 7.469 2.937 ( 4.884 -0.000 2.652) 5.558 3.056 ( 2.275 -0.000 -2.382) 3.294 3.206 ( -2.901 0.000 2.652) 3.931 3.342 ( -4.528 0.000 1.899) 4.910 3.485 ( 3.460 -0.000 7.184) 7.974 3.583 ( 5.747 -0.000 -6.513) 8.686 3.860 ( -4.626 0.000 4.145) 6.211 3.914 ( -2.054 0.000 -2.459) 3.204 4.022 ( -4.053 0.000 -0.164) 4.057 4.076 ( 1.849 -0.000 0.505) 1.917 4.164 ( -9.257 0.000 2.804) 9.672 4.480 ( -5.794 0.000 -5.773) 8.179 4.593 ( -18.878 0.000 6.001) 19.809 4.841 ( -15.374 0.000 -9.019) 17.824 4.897 ( 0.021 -0.000 4.969) 4.969 4.973 ( -4.106 0.000 -9.928) 10.744 5.313 ( -7.082 0.000 4.947) 8.639 5.586 ( 8.670 -0.000 8.054) 11.834 5.792 ( -1.393 0.000 -7.311) 7.443 6.011 ( -17.246 0.000 -10.127) 20.000 6.080 ( -9.338 0.000 9.358) 13.220 6.559 ( -5.592 0.000 -1.670) 5.836 6.582 ( -3.814 0.000 -0.116) 3.815 6.734 ( -11.397 0.000 -1.580) 11.506 6.980 ( -0.518 0.000 4.630) 4.659 7.097 ( 0.951 -0.000 2.855) 3.009 7.285 ( -14.650 0.000 0.889) 14.677 7.424 ( -6.693 0.000 0.051) 6.694 7.500 ( 0.272 -0.000 -2.556) 2.571 7.767 ( -6.899 0.000 1.527) 7.066 8.148 ( -9.506 0.000 8.523) 12.768 8.569 ( 1.608 -0.000 -7.891) 8.053 8.605 ( 8.268 -0.000 13.720) 16.019 8.796 ( 0.848 -0.000 -26.809) 26.822 8.986 ( -21.508 0.000 -6.617) 22.503 9.496 ( 6.744 -0.000 7.573) 10.140 9.893 ( -12.682 0.000 5.421) 13.792 10.052 ( -9.024 0.000 -1.627) 9.170 10.374 ( 11.434 -0.000 1.593) 11.544 10.490 ( -2.154 0.000 5.959) 6.336 10.987 ( -4.081 0.000 1.858) 4.484 10.988 ( -1.039 0.000 0.065) 1.041 11.775 ( 4.218 -0.000 -9.065) 9.998 11.987 ( -0.103 0.000 6.064) 6.065 12.969 ( -2.823 0.000 -1.289) 3.104 13.393 ( 5.552 -0.000 -2.286) 6.004 14.099 ( -3.439 0.000 -2.037) 3.997 14.235 ( -8.135 0.000 4.593) 9.342 14.526 ( 1.100 -0.000 -1.102) 1.558 14.641 ( -1.952 0.000 -2.459) 3.139 14.961 ( 5.996 -0.000 8.323) 10.258 15.144 ( 5.269 -0.000 -1.009) 5.365 15.409 ( 11.155 -0.000 5.772) 12.560 16.015 ( 14.152 -0.000 -9.751) 17.186 16.269 ( -7.943 0.000 -2.558) 8.345 16.363 ( -6.693 0.000 2.659) 7.202 19.492 ( -1.680 0.000 -1.422) 2.200 19.545 ( -4.755 0.000 1.579) 5.010 ======================= Grid point 151 (67/117) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.256 5.076 3.887) 6.780 1.700 ( 4.253 1.710 -5.336) 7.034 1.895 ( -2.959 2.769 5.741) 7.027 1.958 ( -0.749 5.033 4.589) 6.852 2.187 ( 2.917 -3.163 1.771) 4.653 2.221 ( 1.517 -5.224 -0.021) 5.440 2.271 ( 1.848 2.297 0.932) 3.092 2.315 ( 1.514 0.412 -3.345) 3.695 2.393 ( 1.421 0.688 -3.916) 4.223 2.460 ( 0.752 0.400 -1.431) 1.666 2.552 ( 3.182 -7.465 -2.652) 8.537 2.702 ( -0.867 -1.438 2.501) 3.013 2.708 ( 0.649 -1.645 3.983) 4.358 2.884 ( -2.053 -0.920 -2.528) 3.384 3.069 ( -0.505 1.221 -1.601) 2.075 3.105 ( 2.274 3.005 1.920) 4.230 3.169 ( 0.307 0.660 4.095) 4.159 3.274 ( 1.913 1.655 4.753) 5.384 3.539 ( 2.183 1.476 2.451) 3.599 3.600 ( -1.684 1.406 -7.934) 8.231 3.761 ( -4.256 4.469 3.649) 7.170 3.891 ( -0.788 5.917 -2.850) 6.614 3.930 ( -5.256 1.003 0.333) 5.361 4.048 ( -2.640 -1.691 3.709) 4.857 4.108 ( 1.720 -1.005 -1.573) 2.538 4.322 ( -11.617 -0.663 6.905) 13.530 4.454 ( 2.470 -2.407 -6.262) 7.149 4.549 ( -16.324 -2.139 -13.696) 21.416 4.859 ( -2.252 3.048 6.979) 7.941 4.963 ( 0.322 -1.063 -4.647) 4.778 5.276 ( -0.028 -5.293 0.765) 5.348 5.692 ( -11.560 2.955 -5.580) 13.172 5.735 ( 6.522 1.080 9.910) 11.913 5.839 ( -0.826 -5.906 -3.755) 7.047 5.986 ( -1.978 -1.342 11.922) 12.159 6.395 ( -10.471 0.621 -5.354) 11.777 6.484 ( -7.586 -0.519 -4.856) 9.022 6.618 ( -2.813 0.079 4.183) 5.041 6.924 ( -6.573 -1.567 0.149) 6.759 6.988 ( -12.490 0.873 1.235) 12.581 7.188 ( 3.036 -0.474 1.135) 3.275 7.384 ( 0.339 -2.197 0.538) 2.288 7.662 ( 16.393 -3.094 -3.969) 17.148 7.705 ( -2.473 -4.141 1.702) 5.115 8.019 ( -7.476 -3.097 4.554) 9.286 8.488 ( -14.517 3.933 -8.110) 17.088 8.601 ( -6.059 -2.884 -8.498) 10.827 8.699 ( -10.500 -3.296 -20.072) 22.891 8.892 ( 11.409 -0.421 14.600) 18.533 9.531 ( -3.020 0.193 -1.611) 3.429 9.772 ( -0.107 2.311 9.738) 10.009 9.985 ( -0.455 -4.301 0.704) 4.382 10.307 ( -12.847 3.521 12.760) 18.446 10.466 ( -1.792 -2.135 -0.515) 2.835 10.990 ( -0.730 0.706 7.597) 7.665 11.126 ( 15.358 -2.377 -11.379) 19.261 11.839 ( 5.821 1.512 -8.181) 10.154 11.974 ( -4.355 0.377 6.891) 8.160 12.927 ( -1.087 -0.618 1.647) 2.067 13.426 ( 1.033 4.787 -7.960) 9.346 14.053 ( -2.497 -0.704 -0.383) 2.622 14.101 ( -6.160 0.723 2.537) 6.701 14.536 ( 1.023 1.893 -0.705) 2.264 14.608 ( -1.271 1.169 -0.527) 1.805 15.075 ( 5.908 1.039 9.544) 11.273 15.230 ( 4.389 0.026 -0.542) 4.423 15.555 ( 6.194 2.641 5.541) 8.720 16.149 ( -1.339 0.660 -0.368) 1.538 16.214 ( 1.526 -6.303 -10.826) 12.620 16.282 ( -1.877 -2.622 0.145) 3.228 19.472 ( -4.183 -0.630 2.069) 4.709 19.477 ( -0.050 -0.392 -1.682) 1.728 ======================= Grid point 152 (68/117) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 1.417 10.522 6.750) 12.581 1.688 ( 0.961 5.968 -4.122) 7.316 1.786 ( -0.895 13.735 7.842) 15.842 1.976 ( 2.365 -1.757 2.739) 4.023 2.197 ( -3.161 2.992 0.426) 4.373 2.259 ( -1.250 -4.353 -0.619) 4.571 2.298 ( 1.454 1.972 -6.478) 6.926 2.344 ( -0.622 -2.695 -1.520) 3.156 2.398 ( -0.634 -7.598 0.713) 7.658 2.519 ( 2.559 -6.687 3.517) 7.977 2.662 ( -3.139 -5.323 -0.099) 6.180 2.682 ( 0.088 -3.665 -3.724) 5.226 2.743 ( 1.217 -0.787 4.087) 4.336 2.866 ( 1.281 3.342 -2.419) 4.320 3.005 ( -0.825 4.554 2.873) 5.448 3.065 ( -0.399 0.996 1.162) 1.582 3.191 ( 2.500 2.364 7.400) 8.161 3.290 ( -4.709 1.486 3.012) 5.784 3.512 ( -2.171 3.696 -3.418) 5.482 3.587 ( 0.785 1.903 -6.732) 7.040 3.657 ( 0.086 6.319 1.347) 6.462 3.809 ( 0.704 9.345 -2.948) 9.824 3.884 ( 4.473 1.190 4.086) 6.174 4.066 ( 0.494 -0.871 1.083) 1.475 4.131 ( -2.147 -0.310 -2.258) 3.131 4.204 ( -5.820 -6.941 5.724) 10.715 4.339 ( -5.085 -1.894 -11.319) 12.552 4.620 ( 9.799 -0.259 -6.679) 11.862 4.859 ( 5.366 -3.382 5.037) 8.100 4.980 ( 2.533 1.267 -3.240) 4.304 5.335 ( 0.152 -4.290 0.434) 4.315 5.466 ( -12.344 -1.534 -3.559) 12.938 5.783 ( -0.476 -0.964 6.450) 6.539 5.926 ( 5.164 -2.943 2.941) 6.632 6.133 ( 13.494 -4.030 14.823) 20.447 6.296 ( 0.313 1.232 -1.233) 1.771 6.353 ( -5.214 -0.786 -7.680) 9.316 6.590 ( -0.924 2.013 2.795) 3.566 6.783 ( -7.162 -2.304 -1.486) 7.669 6.886 ( -1.886 -1.885 -4.246) 5.014 7.262 ( 3.092 -1.472 3.177) 4.672 7.441 ( 2.013 -5.854 -4.186) 7.472 7.721 ( -3.313 -8.398 1.056) 9.090 7.942 ( 3.910 -0.617 3.335) 5.176 8.076 ( 14.101 -4.637 -6.373) 16.154 8.198 ( -9.931 -4.709 3.194) 11.445 8.447 ( -14.208 -1.204 -14.807) 20.556 8.557 ( -4.344 0.209 -9.117) 10.102 9.148 ( 13.724 -2.549 10.006) 17.174 9.498 ( -0.799 -2.710 -6.939) 7.492 9.756 ( -1.149 5.541 8.519) 10.227 10.087 ( -2.260 1.513 5.109) 5.788 10.128 ( 6.206 -4.565 11.919) 14.192 10.463 ( -1.494 -2.496 -2.748) 4.001 10.903 ( -9.132 0.628 5.944) 10.915 11.401 ( 14.089 -2.423 -11.523) 18.362 11.798 ( -16.136 1.283 3.991) 16.671 11.939 ( 7.828 2.272 -2.215) 8.447 12.963 ( 3.707 -0.043 5.027) 6.246 13.334 ( -3.390 7.530 -11.571) 14.216 13.990 ( -2.601 1.399 3.347) 4.464 14.087 ( 1.597 -2.853 -1.103) 3.450 14.519 ( 0.294 4.972 0.745) 5.036 14.579 ( -0.445 1.670 -0.158) 1.736 15.128 ( 1.689 4.167 6.651) 8.028 15.251 ( 0.410 6.449 -1.430) 6.618 15.619 ( 1.168 -4.777 9.029) 10.281 16.107 ( -2.930 0.724 -3.146) 4.360 16.212 ( -3.066 -3.636 0.806) 4.823 16.396 ( 4.399 -11.190 -10.343) 15.860 19.423 ( -2.084 -0.249 1.897) 2.829 19.497 ( 1.663 -1.311 -1.115) 2.393 ======================= Grid point 153 (69/117) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 1.822 11.867 5.331) 13.137 1.667 ( 0.152 2.749 -7.316) 7.817 1.691 ( 6.284 16.651 11.082) 20.966 2.005 ( 0.848 3.664 -2.717) 4.640 2.124 ( -4.337 -2.257 4.959) 6.964 2.229 ( -6.363 0.066 -1.765) 6.603 2.260 ( 0.117 -0.497 -4.273) 4.303 2.326 ( -3.437 -3.885 -1.043) 5.291 2.449 ( -0.643 -0.955 -3.165) 3.368 2.561 ( -6.738 0.567 -2.003) 7.052 2.648 ( 1.353 -11.547 5.618) 12.912 2.727 ( -0.087 0.213 2.954) 2.963 2.766 ( 0.183 -4.233 3.363) 5.409 2.873 ( 5.228 8.981 -0.139) 10.393 2.995 ( -7.824 0.960 -2.796) 8.364 3.027 ( 1.496 -1.983 1.390) 2.846 3.204 ( -0.297 1.309 6.551) 6.687 3.216 ( 2.634 2.880 6.653) 7.713 3.407 ( -7.452 0.663 -3.676) 8.335 3.522 ( -0.068 4.540 -4.551) 6.429 3.678 ( 3.439 5.020 -3.568) 7.054 3.764 ( 6.169 11.240 -1.869) 12.957 4.020 ( -0.099 1.921 -3.388) 3.896 4.050 ( 3.795 -0.402 3.362) 5.086 4.121 ( 5.677 -3.261 4.649) 8.030 4.259 ( 2.581 -6.873 -0.358) 7.350 4.376 ( 6.307 -3.143 -7.530) 10.313 4.710 ( 6.013 3.957 1.245) 7.305 4.978 ( 3.541 0.988 -8.551) 9.308 5.148 ( 7.778 -10.445 -2.879) 13.337 5.299 ( -6.030 1.117 4.096) 7.374 5.391 ( 7.026 -2.011 4.799) 8.742 5.827 ( 2.671 -7.536 -1.589) 8.152 6.034 ( -0.831 -2.671 8.225) 8.688 6.190 ( 0.536 3.894 -13.217) 13.789 6.435 ( 9.187 1.541 -0.141) 9.317 6.499 ( 17.200 -5.098 17.928) 25.362 6.580 ( 5.026 1.847 -2.021) 5.723 6.792 ( 5.234 -3.342 0.401) 6.223 6.908 ( 0.681 -5.019 -3.598) 6.213 7.277 ( -2.790 -0.448 0.875) 2.958 7.549 ( 0.176 -13.406 -0.153) 13.408 7.714 ( -2.121 -3.614 -6.315) 7.579 7.959 ( -7.122 -0.114 3.868) 8.105 8.082 ( 7.693 -2.859 6.502) 10.470 8.227 ( -8.415 -3.483 -8.266) 12.300 8.492 ( -1.394 0.012 -6.097) 6.254 8.611 ( 24.392 -13.188 -6.226) 28.419 9.301 ( -2.407 3.868 -1.854) 4.918 9.547 ( 6.328 -3.884 -5.147) 9.034 9.696 ( 2.557 1.288 11.795) 12.137 10.159 ( 12.009 2.679 7.549) 14.435 10.332 ( 3.445 -2.954 -11.074) 11.967 10.401 ( -9.978 -4.226 22.538) 25.007 10.800 ( 4.060 -0.692 -4.778) 6.308 11.437 ( -23.505 1.221 5.501) 24.171 11.609 ( 8.124 -2.684 -12.289) 14.974 12.028 ( 4.510 2.379 2.415) 5.642 12.981 ( -2.000 5.502 1.948) 6.170 13.233 ( 0.919 3.885 -7.250) 8.277 13.976 ( 1.428 0.180 2.698) 3.058 14.168 ( 4.657 -2.322 -1.285) 5.360 14.468 ( 0.403 7.292 1.441) 7.444 14.563 ( 0.367 2.332 0.211) 2.370 15.083 ( -2.346 4.565 3.150) 6.022 15.148 ( -2.699 9.053 -1.091) 9.510 15.673 ( -5.557 -9.604 12.518) 16.728 15.990 ( -8.678 4.419 -8.267) 12.774 16.219 ( 2.040 -2.489 -2.212) 3.906 16.560 ( 2.072 -13.767 -4.601) 14.662 19.419 ( 1.837 0.341 0.413) 1.914 19.550 ( 2.356 -2.573 0.493) 3.523 ======================= Grid point 154 (70/117) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 5.067 7.040 0.768) 8.708 1.608 ( -3.781 2.387 -8.258) 9.391 1.710 ( 10.257 15.518 8.262) 20.354 1.946 ( -1.510 3.638 1.387) 4.176 2.101 ( -3.390 -3.204 3.249) 5.685 2.127 ( -3.021 2.924 -2.150) 4.722 2.281 ( -2.513 -4.246 0.214) 4.939 2.298 ( -0.252 -2.609 -3.412) 4.303 2.402 ( -2.466 3.167 -2.420) 4.687 2.463 ( -3.099 1.894 -2.605) 4.469 2.630 ( -6.852 3.632 6.436) 10.078 2.737 ( -4.100 -4.098 -0.212) 5.801 2.804 ( -1.642 -2.664 5.285) 6.142 2.859 ( 3.474 6.757 -0.749) 7.635 2.924 ( 1.157 -5.542 0.948) 5.740 3.068 ( -0.520 -3.017 0.729) 3.147 3.199 ( 1.258 1.295 4.271) 4.637 3.269 ( -5.036 3.965 -0.735) 6.452 3.297 ( 3.587 -3.623 4.079) 6.530 3.489 ( 0.083 2.156 -5.904) 6.286 3.690 ( 3.728 4.950 -2.469) 6.670 3.784 ( 6.687 9.494 -0.690) 11.633 3.983 ( -1.769 1.209 -3.919) 4.466 4.076 ( 0.554 -0.091 1.679) 1.771 4.309 ( 6.612 -4.283 2.614) 8.300 4.406 ( 11.083 -2.426 -1.521) 11.447 4.544 ( 9.169 -2.551 -3.013) 9.983 4.784 ( 6.496 4.494 0.341) 7.907 5.042 ( 1.236 -1.917 4.484) 5.031 5.142 ( -1.029 -1.650 -11.789) 11.948 5.303 ( 2.204 -0.116 -0.621) 2.293 5.659 ( 10.379 -2.144 5.056) 11.742 5.935 ( -4.271 -4.359 3.490) 7.030 6.007 ( 8.822 -10.016 -5.415) 14.404 6.291 ( 10.726 3.626 -6.218) 12.917 6.556 ( 10.197 3.465 -1.747) 10.911 6.674 ( 5.493 -3.217 2.100) 6.703 6.824 ( 13.445 3.205 6.869) 15.434 6.965 ( 2.343 -7.233 8.083) 11.096 7.037 ( 13.174 -8.926 -0.173) 15.914 7.209 ( -4.400 -0.776 -1.289) 4.650 7.648 ( 0.177 -6.567 1.590) 6.759 7.711 ( -0.788 -2.530 0.870) 2.789 7.910 ( -0.406 -2.141 3.295) 3.950 8.112 ( 1.946 -3.763 -13.085) 13.754 8.369 ( 5.712 -8.654 10.653) 14.866 8.517 ( 5.766 -4.172 -2.441) 7.524 9.068 ( -7.188 2.672 -5.822) 9.629 9.149 ( 17.102 -10.090 -15.756) 25.348 9.659 ( 8.765 4.958 4.575) 11.060 9.886 ( 4.508 -2.334 10.263) 11.450 10.081 ( -14.555 -5.323 4.819) 16.230 10.324 ( 4.500 3.927 12.340) 13.710 10.448 ( 5.272 -2.089 -15.412) 16.422 11.014 ( -13.575 -1.766 0.833) 13.714 11.071 ( 8.968 -0.316 5.923) 10.752 11.717 ( 4.637 -1.316 -4.539) 6.621 12.087 ( 4.183 -2.732 -0.141) 4.998 12.828 ( -7.228 8.031 -0.309) 10.809 13.242 ( 2.223 4.305 -1.740) 5.148 14.041 ( 5.033 -2.047 1.586) 5.660 14.259 ( 3.982 -1.491 -1.728) 4.589 14.425 ( 1.728 6.515 1.004) 6.814 14.537 ( -0.100 5.233 0.993) 5.328 15.002 ( -2.884 3.382 3.505) 5.661 15.041 ( -2.106 4.290 -1.305) 4.955 15.591 ( -11.629 -3.625 9.544) 15.475 15.720 ( -14.636 7.519 -9.198) 18.851 16.325 ( 6.371 -4.012 -2.291) 7.870 16.679 ( -0.206 -10.128 -0.546) 10.144 19.481 ( 5.253 -0.387 -1.971) 5.624 19.612 ( 1.492 -3.187 2.328) 4.220 ======================= Grid point 155 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.052 1.132 -2.390) 7.532 1.490 ( -3.552 4.962 -6.687) 9.053 1.784 ( 12.400 14.331 4.168) 19.404 1.919 ( -2.497 -2.334 5.527) 6.498 1.990 ( -7.796 1.170 -1.897) 8.109 2.119 ( 1.716 0.955 -0.683) 2.079 2.253 ( -1.083 0.685 -2.121) 2.477 2.336 ( -2.275 3.504 2.229) 4.735 2.342 ( -1.259 -5.182 1.073) 5.440 2.393 ( -3.674 -0.989 -2.971) 4.827 2.505 ( -3.834 2.047 2.133) 4.841 2.637 ( -8.371 -0.959 -1.773) 8.610 2.798 ( -0.317 -2.576 5.157) 5.773 2.899 ( 7.222 9.519 1.424) 12.033 2.985 ( 0.413 -2.629 -0.321) 2.681 3.107 ( 0.718 -1.816 -0.199) 1.963 3.156 ( -1.517 2.060 3.608) 4.422 3.239 ( -1.026 -3.847 -0.473) 4.009 3.364 ( 2.614 -1.686 1.661) 3.527 3.516 ( 2.449 -2.798 -3.092) 4.836 3.690 ( 0.746 2.755 -0.116) 2.857 3.827 ( 6.354 7.077 -1.166) 9.582 3.932 ( -1.640 1.943 -3.104) 4.013 4.072 ( -1.490 -0.519 1.475) 2.160 4.412 ( 1.592 -3.668 -1.657) 4.328 4.603 ( 7.606 -1.293 -1.277) 7.820 4.709 ( 8.399 -0.148 3.388) 9.057 4.849 ( 6.815 3.369 -4.334) 8.751 5.017 ( -1.495 -1.482 -1.025) 2.342 5.251 ( 7.440 -2.026 -3.012) 8.278 5.351 ( 5.066 2.819 -2.085) 6.162 5.619 ( -6.364 1.222 -6.542) 9.209 6.089 ( 4.719 -9.552 13.551) 17.237 6.250 ( 11.027 -5.090 -5.228) 13.222 6.414 ( 7.689 3.761 -5.120) 9.974 6.739 ( 10.314 -0.803 -1.580) 10.465 6.792 ( 7.548 -1.276 5.334) 9.330 6.941 ( 7.184 5.676 -0.761) 9.187 7.071 ( 0.489 -6.048 3.603) 7.057 7.203 ( 3.593 -2.583 1.623) 4.714 7.326 ( 10.052 -8.638 1.243) 13.312 7.587 ( -3.148 5.426 5.383) 8.266 7.874 ( 8.236 -9.084 7.643) 14.449 7.946 ( 1.944 -1.827 -3.469) 4.376 8.225 ( 6.576 -4.431 -6.067) 9.984 8.448 ( -3.651 -10.843 -0.294) 11.446 8.739 ( 9.313 -4.322 6.216) 12.002 8.821 ( -9.992 3.556 -8.024) 13.299 9.393 ( -10.501 2.995 -4.270) 11.725 9.664 ( -3.023 -7.037 -6.018) 9.740 9.883 ( 17.489 -1.682 4.220) 18.070 10.114 ( -8.036 7.320 8.127) 13.573 10.401 ( 11.324 -2.698 7.565) 13.883 10.472 ( -3.556 -7.026 -13.094) 15.279 10.832 ( -2.318 -1.070 -0.397) 2.583 11.205 ( 2.621 9.044 -1.224) 9.495 11.903 ( 13.253 -7.851 8.788) 17.734 12.253 ( 9.573 -8.093 -5.678) 13.761 12.614 ( -9.698 7.384 1.025) 12.232 13.186 ( -2.266 9.000 -0.543) 9.297 14.179 ( 7.108 -4.942 0.405) 8.666 14.334 ( 3.388 -1.598 -3.266) 4.969 14.410 ( 1.886 3.926 1.400) 4.574 14.468 ( -1.010 6.471 1.174) 6.654 14.909 ( -5.058 3.193 4.563) 7.523 15.021 ( 0.559 0.112 0.301) 0.645 15.362 ( -11.772 8.233 3.354) 14.752 15.447 ( -10.379 1.674 -5.900) 12.055 16.465 ( 5.351 -4.013 -1.027) 6.767 16.732 ( -1.267 -5.092 0.484) 5.270 19.580 ( 5.248 -1.208 -3.283) 6.307 19.652 ( -0.157 -2.623 3.198) 4.139 ======================= Grid point 161 (72/117) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 1.634 0.000 5.107) 5.362 1.738 ( -0.393 0.000 -5.042) 5.057 1.919 ( 3.643 0.000 7.502) 8.340 1.982 ( -0.217 0.000 4.286) 4.291 2.213 ( -0.492 -0.000 -2.286) 2.338 2.219 ( 0.114 0.000 6.345) 6.346 2.270 ( -4.943 0.000 2.818) 5.690 2.299 ( 0.615 -0.000 -1.636) 1.748 2.346 ( -3.074 0.000 -8.762) 9.286 2.500 ( 3.899 -0.000 2.340) 4.548 2.569 ( 0.606 0.000 -3.181) 3.238 2.668 ( -1.704 0.000 -6.092) 6.325 2.727 ( -0.235 0.000 5.954) 5.959 2.874 ( 2.627 0.000 -2.511) 3.634 3.064 ( 1.092 -0.000 1.231) 1.646 3.086 ( -1.833 0.000 2.265) 2.914 3.205 ( 2.113 0.000 6.033) 6.392 3.303 ( -5.441 0.000 2.205) 5.871 3.542 ( -4.367 0.000 -2.310) 4.941 3.604 ( 4.303 0.000 -7.330) 8.500 3.743 ( -0.997 0.000 3.289) 3.437 3.869 ( 4.757 0.000 5.888) 7.569 3.928 ( -0.480 0.000 -0.363) 0.602 4.057 ( 1.884 0.000 0.497) 1.948 4.121 ( -1.514 0.000 -5.778) 5.973 4.143 ( -6.814 0.000 7.546) 10.167 4.316 ( -6.150 0.000 -12.134) 13.603 4.622 ( 16.235 0.000 -7.902) 18.056 4.822 ( -2.115 0.000 5.922) 6.289 4.994 ( 2.821 0.000 -4.389) 5.217 5.293 ( 3.186 0.000 2.676) 4.161 5.447 ( -13.447 0.000 -3.313) 13.849 5.777 ( -3.175 0.000 8.196) 8.789 5.902 ( 7.228 0.000 1.937) 7.483 6.091 ( 12.927 0.000 15.825) 20.434 6.306 ( 2.686 0.000 -1.606) 3.130 6.349 ( -6.915 0.000 -9.635) 11.860 6.615 ( 1.565 0.000 5.754) 5.963 6.756 ( -8.520 0.000 -5.098) 9.929 6.870 ( -2.951 0.000 -4.103) 5.054 7.249 ( 3.263 0.000 3.408) 4.718 7.388 ( -0.364 0.000 -1.708) 1.746 7.641 ( -2.352 0.000 -0.029) 2.352 7.971 ( 2.810 0.000 7.317) 7.838 7.988 ( 22.350 0.000 -8.651) 23.966 8.166 ( -17.030 0.000 0.710) 17.044 8.435 ( -15.002 0.000 -15.927) 21.880 8.563 ( -2.367 0.000 -10.039) 10.314 9.122 ( 13.676 0.000 10.848) 17.456 9.475 ( -1.152 0.000 -6.225) 6.331 9.813 ( -2.019 0.000 6.497) 6.803 10.055 ( 10.223 0.000 6.306) 12.012 10.123 ( -6.076 0.000 13.487) 14.792 10.443 ( -0.876 0.000 -4.886) 4.964 10.909 ( -9.026 0.000 5.905) 10.786 11.378 ( 14.394 0.000 -11.167) 18.218 11.810 ( -16.400 0.000 4.217) 16.933 11.961 ( 7.783 0.000 -2.512) 8.179 12.964 ( 5.208 0.000 6.409) 8.258 13.408 ( -4.539 0.000 -13.480) 14.223 14.016 ( -3.354 0.000 2.459) 4.159 14.047 ( 1.812 0.000 0.479) 1.874 14.555 ( 0.322 0.000 -0.273) 0.422 14.598 ( -0.491 0.000 -1.198) 1.295 15.193 ( 4.645 0.000 12.559) 13.390 15.273 ( 0.611 0.000 0.271) 0.669 15.594 ( -3.690 0.000 3.850) 5.333 16.147 ( 3.721 0.000 2.088) 4.267 16.153 ( -2.209 -0.000 -4.887) 5.363 16.276 ( -0.981 0.000 -9.463) 9.514 19.421 ( -1.561 0.000 1.495) 2.161 19.486 ( 1.375 0.000 -1.070) 1.742 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.425 5.201 4.758) 7.191 1.699 ( -2.770 0.943 -6.148) 6.809 1.945 ( 3.635 10.647 7.200) 13.357 1.997 ( 1.015 -1.828 5.448) 5.836 2.120 ( -5.476 0.405 0.795) 5.548 2.189 ( -6.474 -3.746 -1.844) 7.704 2.229 ( -0.957 -0.023 0.955) 1.352 2.332 ( 1.166 0.766 -7.471) 7.600 2.361 ( 2.182 -8.188 -1.172) 8.554 2.517 ( -1.793 1.969 -0.385) 2.691 2.582 ( -1.521 -1.062 0.563) 1.939 2.645 ( 0.358 -4.982 -1.299) 5.161 2.731 ( -0.570 -1.128 5.975) 6.107 2.928 ( 2.920 -0.740 -2.607) 3.984 3.033 ( -10.199 1.823 -3.059) 10.803 3.075 ( 2.187 4.618 1.858) 5.437 3.201 ( 0.367 0.829 4.256) 4.352 3.257 ( 2.252 -1.323 7.356) 7.806 3.416 ( -8.009 0.373 -3.283) 8.664 3.634 ( -0.014 4.954 -3.692) 6.179 3.744 ( 3.235 2.830 1.663) 4.609 3.935 ( 5.220 5.733 0.775) 7.792 4.022 ( 0.157 -1.248 1.588) 2.026 4.052 ( -2.069 0.759 -4.300) 4.832 4.082 ( 11.585 -0.570 6.665) 13.377 4.182 ( 6.153 -1.722 -0.361) 6.399 4.325 ( 5.286 -2.385 -8.453) 10.251 4.792 ( 5.028 4.972 0.603) 7.097 4.944 ( 12.130 -6.448 -14.316) 19.841 5.026 ( -0.150 -0.913 3.536) 3.656 5.294 ( -3.443 -0.950 2.531) 4.378 5.367 ( 6.206 -0.604 7.800) 9.986 5.739 ( -0.224 -2.299 -2.243) 3.220 6.007 ( 0.186 -0.653 6.266) 6.302 6.252 ( 1.390 2.506 -12.350) 12.678 6.384 ( 15.708 -3.726 6.438) 17.381 6.472 ( 14.170 0.156 13.200) 19.366 6.649 ( 3.794 4.943 -3.646) 7.220 6.731 ( 5.546 -3.953 -0.296) 6.818 6.845 ( -0.735 -2.002 -4.564) 5.037 7.281 ( -1.550 1.308 1.710) 2.653 7.359 ( -3.279 -7.305 -0.065) 8.008 7.651 ( 1.868 -2.490 -6.362) 7.083 7.955 ( -7.181 -0.240 6.691) 9.817 8.080 ( 9.195 1.505 11.075) 14.473 8.192 ( -11.440 -0.930 -10.723) 15.707 8.413 ( 23.551 -7.261 -10.147) 26.652 8.501 ( -2.889 0.313 -9.123) 9.575 9.359 ( 9.332 2.438 3.186) 10.158 9.466 ( 0.826 -3.657 -7.566) 8.444 9.724 ( -2.195 1.061 7.505) 7.891 10.197 ( 11.408 1.526 9.372) 14.843 10.284 ( 11.112 -2.249 2.794) 11.676 10.362 ( -11.876 -0.607 8.339) 14.523 10.790 ( 0.653 -0.283 -4.777) 4.829 11.451 ( -24.741 0.299 2.162) 24.837 11.573 ( 9.241 -1.078 -8.316) 12.479 12.066 ( 4.198 1.358 2.388) 5.017 13.065 ( 4.862 3.123 6.858) 8.968 13.281 ( -5.699 1.379 -13.260) 14.498 13.991 ( 0.906 1.213 1.720) 2.291 14.121 ( 4.870 -2.307 1.192) 5.519 14.548 ( -0.401 1.404 0.398) 1.513 14.591 ( 0.758 1.402 -1.292) 2.051 15.185 ( -2.028 7.177 5.911) 9.516 15.265 ( -3.009 1.474 -0.159) 3.354 15.511 ( -7.577 -6.553 10.301) 14.369 16.083 ( -5.449 5.503 -9.990) 12.640 16.198 ( 2.133 0.854 -1.453) 2.719 16.328 ( 3.745 -11.663 -2.130) 12.433 19.423 ( 1.814 0.144 0.303) 1.844 19.520 ( 2.172 -0.860 0.086) 2.338 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -1.640 4.622 1.618) 5.164 1.621 ( -5.031 -0.456 -6.695) 8.387 1.947 ( 6.421 9.667 7.872) 14.024 2.001 ( -6.220 -1.287 3.744) 7.373 2.040 ( 0.511 1.025 0.901) 1.458 2.103 ( -6.380 -2.486 -1.913) 7.110 2.233 ( 0.985 -0.005 0.033) 0.986 2.333 ( 2.250 2.971 -7.066) 7.989 2.454 ( -2.548 1.890 -3.076) 4.419 2.472 ( 1.622 -2.184 -3.926) 4.776 2.555 ( -3.904 -6.101 5.880) 9.329 2.698 ( -4.075 -4.680 4.256) 7.525 2.721 ( -0.472 -1.425 2.462) 2.884 2.818 ( -9.095 -2.431 -2.200) 9.668 2.964 ( 0.376 1.279 -1.921) 2.338 3.071 ( 1.006 1.169 0.750) 1.715 3.195 ( -4.432 1.242 -0.687) 4.653 3.258 ( 1.019 -0.262 4.801) 4.915 3.386 ( 3.880 0.273 5.349) 6.614 3.547 ( -2.213 7.384 -1.478) 7.849 3.775 ( 2.967 3.961 -0.724) 5.002 3.955 ( 1.253 7.647 -4.008) 8.724 4.001 ( 1.944 1.914 -0.323) 2.747 4.082 ( 3.363 0.698 2.506) 4.252 4.251 ( 6.131 -2.040 1.790) 6.705 4.382 ( 14.227 0.174 0.461) 14.235 4.494 ( 11.050 -3.453 -4.079) 12.274 4.858 ( 6.245 2.337 0.468) 6.685 4.983 ( -4.812 -3.060 2.367) 6.174 5.105 ( 5.029 -1.710 -16.513) 17.346 5.333 ( 6.187 3.131 6.422) 9.451 5.597 ( 13.794 -4.821 12.587) 19.286 5.854 ( 9.308 -6.202 -9.049) 14.387 5.892 ( -9.135 -1.143 -2.035) 9.428 6.360 ( 11.688 3.455 -6.086) 13.623 6.588 ( 7.096 0.355 -0.631) 7.133 6.679 ( 7.222 3.323 -4.294) 9.035 6.816 ( 17.657 -4.214 20.698) 27.531 6.867 ( 1.266 -3.690 -0.533) 3.937 6.936 ( 11.623 -2.364 -0.109) 11.861 7.203 ( -3.895 0.303 -2.607) 4.697 7.440 ( 2.021 -12.117 1.108) 12.334 7.695 ( 1.840 -0.455 -9.821) 10.003 7.915 ( 0.287 1.394 13.866) 13.939 8.070 ( -1.585 -1.834 -9.170) 9.485 8.273 ( 9.304 -2.593 13.117) 16.290 8.460 ( -0.516 -2.193 -5.706) 6.134 8.887 ( 22.854 -11.660 -15.319) 29.882 9.218 ( -9.755 7.090 -7.772) 14.347 9.709 ( 14.569 -3.339 -0.064) 14.947 9.797 ( 7.454 -2.101 9.861) 12.538 10.035 ( -23.613 -0.158 8.486) 25.092 10.376 ( 1.956 1.696 0.364) 2.615 10.443 ( 13.203 0.475 -2.262) 13.403 10.994 ( -4.570 -0.502 0.939) 4.692 11.040 ( 0.318 -2.453 4.766) 5.369 11.701 ( 5.787 -0.849 -7.582) 9.577 12.074 ( -1.289 0.836 3.036) 3.402 12.994 ( -4.636 10.311 -0.858) 11.338 13.261 ( 1.605 -2.343 -2.343) 3.682 14.026 ( 3.839 0.331 0.898) 3.957 14.224 ( 3.799 -2.365 0.806) 4.547 14.520 ( -0.567 2.900 0.881) 3.084 14.604 ( 2.943 3.096 -0.186) 4.275 15.069 ( -4.584 5.221 2.476) 7.376 15.139 ( -5.791 5.777 -2.056) 8.434 15.465 ( -9.001 -9.510 12.090) 17.822 15.847 ( -13.674 6.273 -10.777) 18.506 16.277 ( 6.242 -1.450 -1.997) 6.712 16.498 ( 4.305 -9.641 0.070) 10.559 19.478 ( 4.543 -0.046 -1.181) 4.694 19.569 ( 2.008 -1.675 1.407) 2.970 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 1.580 0.242 -1.019) 1.896 1.544 ( -2.477 0.955 -5.720) 6.306 1.881 ( -6.342 -0.807 3.146) 7.125 1.992 ( -5.417 -0.180 2.070) 5.801 2.020 ( 5.843 8.804 1.954) 10.746 2.073 ( 1.641 -3.475 2.173) 4.415 2.249 ( 0.005 -0.901 0.501) 1.031 2.331 ( 0.298 3.690 -4.385) 5.739 2.399 ( -1.796 1.693 -3.011) 3.893 2.418 ( -2.985 5.057 -0.202) 5.876 2.498 ( -5.716 -2.595 0.256) 6.282 2.630 ( -6.842 -0.980 -0.157) 6.914 2.753 ( -0.943 -2.645 1.269) 3.082 2.822 ( 2.296 -9.813 1.558) 10.198 2.950 ( -1.876 -4.737 0.963) 5.185 3.079 ( 1.622 3.267 -1.626) 3.993 3.146 ( -0.577 -3.034 -2.431) 3.930 3.317 ( 1.468 -3.796 6.426) 7.607 3.405 ( 2.925 15.016 7.371) 16.981 3.490 ( 0.683 -2.333 -1.734) 2.986 3.762 ( 0.607 5.202 -1.515) 5.452 3.892 ( -2.184 1.157 -4.202) 4.875 4.014 ( 3.276 6.709 0.482) 7.482 4.097 ( -0.103 3.151 1.749) 3.606 4.361 ( 4.218 -1.797 -0.313) 4.596 4.576 ( 6.543 -1.961 -1.631) 7.022 4.703 ( 10.297 -0.528 2.671) 10.650 4.913 ( 4.905 3.528 -3.530) 6.997 4.984 ( 1.042 -2.288 -2.191) 3.334 5.199 ( 5.431 -3.338 -4.392) 7.742 5.420 ( 6.961 4.980 0.635) 8.582 5.659 ( -5.811 2.951 -6.996) 9.561 5.916 ( 6.290 -8.933 13.467) 17.342 6.147 ( 14.488 -6.677 -8.343) 18.003 6.491 ( 7.005 3.556 -4.442) 9.025 6.693 ( 5.509 -1.723 1.172) 5.890 6.808 ( 11.117 1.425 -0.741) 11.232 6.963 ( 6.372 -2.575 4.883) 8.430 7.035 ( 1.698 0.720 -1.721) 2.523 7.157 ( 10.724 -4.355 17.355) 20.860 7.216 ( 7.512 -1.350 -7.659) 10.812 7.646 ( 8.253 -12.703 0.272) 15.151 7.680 ( -1.604 2.984 -3.586) 4.933 7.943 ( 3.771 0.801 6.222) 7.320 8.137 ( 4.927 -3.880 -3.948) 7.410 8.335 ( -2.925 -3.740 -1.684) 5.038 8.609 ( 8.751 -7.357 9.663) 14.969 8.970 ( -6.942 9.577 -6.304) 13.403 9.352 ( 16.138 -9.257 -20.808) 27.912 9.558 ( -22.696 -0.106 11.795) 25.578 9.929 ( 11.648 3.853 2.344) 12.491 10.088 ( 8.719 -14.141 3.498) 16.977 10.302 ( -8.134 5.428 -0.037) 9.779 10.509 ( -4.455 1.703 -2.908) 5.586 10.812 ( 3.682 -1.093 0.595) 3.887 11.340 ( 11.132 5.118 -0.031) 12.252 11.802 ( 8.609 -2.871 2.872) 9.519 12.107 ( 4.168 -7.462 -2.158) 8.815 12.791 ( -7.780 11.902 1.546) 14.303 13.281 ( -0.832 1.175 -1.010) 1.759 14.116 ( 5.817 -1.915 -0.018) 6.124 14.288 ( 1.801 -2.920 -0.440) 3.458 14.485 ( -0.658 3.007 1.439) 3.397 14.601 ( 1.313 8.355 1.520) 8.593 14.967 ( -4.680 2.809 2.971) 6.214 15.017 ( -2.916 0.836 -2.100) 3.690 15.380 ( -9.382 -5.174 7.193) 12.905 15.532 ( -14.066 6.681 -8.782) 17.877 16.407 ( 6.631 -2.359 -1.196) 7.139 16.627 ( 2.508 -6.353 0.276) 6.836 19.565 ( 5.199 -0.535 -2.191) 5.667 19.613 ( 0.987 -1.807 2.236) 3.040 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.061 -2.707 -1.401) 4.320 1.526 ( 3.484 3.741 -3.067) 5.961 1.803 ( -6.080 -3.979 3.194) 7.938 1.867 ( -6.823 1.305 -3.975) 8.004 2.050 ( 3.394 3.579 1.882) 5.279 2.162 ( 5.652 1.897 2.009) 6.292 2.214 ( -5.698 -1.514 2.076) 6.250 2.272 ( -2.863 -1.089 2.067) 3.695 2.347 ( 0.392 3.265 -2.684) 4.244 2.387 ( 2.200 4.826 -2.498) 5.863 2.434 ( -4.747 -0.756 0.012) 4.807 2.516 ( -4.570 -0.669 -2.509) 5.256 2.778 ( 0.521 -2.842 4.185) 5.085 2.913 ( 0.357 -4.382 -1.293) 4.583 3.023 ( 0.783 -12.161 2.024) 12.353 3.094 ( 2.327 1.147 -3.241) 4.152 3.164 ( -0.423 -0.447 -2.611) 2.683 3.293 ( 1.127 11.986 7.298) 14.078 3.386 ( 0.728 -1.730 4.055) 4.468 3.523 ( 0.970 0.181 -0.596) 1.152 3.723 ( -0.133 2.650 -1.359) 2.981 3.875 ( 0.270 -1.514 -1.544) 2.179 3.995 ( 1.219 6.453 -0.687) 6.603 4.040 ( -3.064 2.288 2.179) 4.401 4.417 ( 1.621 -0.047 -1.588) 2.270 4.653 ( 1.402 -2.976 -2.269) 3.996 4.809 ( 3.392 0.932 3.228) 4.774 4.969 ( -0.521 2.010 -1.445) 2.530 5.059 ( 10.460 0.306 -6.603) 12.373 5.321 ( 4.627 -3.993 -0.270) 6.117 5.453 ( 0.591 2.674 -2.846) 3.950 5.562 ( -0.694 3.571 -7.359) 8.210 6.079 ( 2.398 -5.540 13.884) 15.140 6.330 ( 1.924 -2.517 -5.983) 6.771 6.573 ( 6.967 1.059 -1.168) 7.143 6.814 ( 5.725 -2.268 0.113) 6.159 6.965 ( 4.112 -2.773 2.661) 5.629 7.051 ( 2.808 1.416 -2.535) 4.040 7.109 ( 7.882 1.591 4.441) 9.186 7.269 ( 3.332 0.039 6.135) 6.982 7.457 ( 13.679 -5.120 -2.471) 14.813 7.582 ( -4.606 4.790 2.044) 6.952 7.872 ( 6.567 -3.748 -1.902) 7.797 8.047 ( 6.397 -3.803 2.997) 8.023 8.221 ( -2.158 -9.308 -2.860) 9.974 8.373 ( 5.449 -2.883 -4.979) 7.924 8.705 ( -4.252 0.638 1.586) 4.582 8.837 ( -2.860 5.620 2.384) 6.741 9.112 ( -14.059 1.143 10.351) 17.497 9.708 ( 3.451 -1.629 -11.366) 11.989 9.944 ( -7.227 -2.582 -0.427) 7.686 10.161 ( 8.580 5.197 1.488) 10.141 10.323 ( 1.582 -13.433 -5.477) 14.593 10.567 ( 9.736 -3.956 2.361) 10.771 10.862 ( -0.274 4.413 -2.921) 5.299 11.290 ( -2.150 10.622 -1.541) 10.947 12.089 ( 14.571 -7.117 10.061) 19.084 12.330 ( 10.397 -11.350 -5.143) 16.229 12.525 ( -10.655 11.134 3.055) 15.711 13.191 ( -5.556 6.923 -1.309) 8.973 14.248 ( 6.057 -4.372 -0.927) 7.528 14.354 ( 2.012 -3.776 -3.078) 5.271 14.446 ( -1.357 2.734 2.349) 3.851 14.526 ( 0.384 7.346 1.732) 7.557 14.840 ( -6.690 3.052 3.427) 8.113 15.006 ( -1.766 -1.098 3.104) 3.736 15.255 ( -6.367 1.935 0.620) 6.684 15.315 ( -5.543 0.352 -6.318) 8.412 16.523 ( 4.634 -1.717 -0.477) 4.965 16.693 ( 0.457 -2.926 0.013) 2.962 19.630 ( -0.105 -1.136 1.876) 2.196 19.651 ( 3.647 -0.522 -1.882) 4.137 ======================= Grid point 173 (77/117) ======================= q-point: ( 0.60 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -4.703 0.000 2.749) 5.447 1.613 ( -5.713 0.000 -6.471) 8.632 1.950 ( -4.418 0.000 3.294) 5.511 2.040 ( 0.668 -0.000 2.886) 2.962 2.064 ( -4.256 0.000 2.993) 5.203 2.094 ( -1.984 0.000 -0.992) 2.218 2.295 ( 6.893 -0.000 3.527) 7.743 2.338 ( 1.968 -0.000 -2.607) 3.266 2.360 ( 2.763 -0.000 -7.457) 7.952 2.479 ( -3.796 0.000 -2.222) 4.399 2.589 ( -1.240 0.000 6.112) 6.236 2.597 ( -0.586 0.000 -3.541) 3.589 2.717 ( -1.730 0.000 6.264) 6.499 2.795 ( -13.341 0.000 -3.750) 13.858 2.975 ( 2.714 -0.000 -0.256) 2.726 3.070 ( -6.404 0.000 -1.871) 6.671 3.254 ( -0.580 0.000 5.294) 5.326 3.262 ( 1.627 -0.000 0.117) 1.632 3.325 ( -1.127 0.000 0.700) 1.326 3.638 ( -1.190 0.000 0.040) 1.190 3.813 ( 2.849 -0.000 2.410) 3.732 3.984 ( -2.558 0.000 -4.249) 4.960 4.071 ( 4.856 -0.000 0.867) 4.933 4.086 ( 5.654 -0.000 3.856) 6.844 4.234 ( 6.918 -0.000 1.958) 7.189 4.416 ( 17.761 -0.000 2.621) 17.954 4.429 ( 8.231 -0.000 -7.086) 10.861 4.856 ( 2.808 -0.000 -0.108) 2.810 4.972 ( -3.518 0.000 1.322) 3.758 5.090 ( 6.969 -0.000 -17.072) 18.440 5.377 ( 9.650 -0.000 9.240) 13.360 5.533 ( 12.672 -0.000 13.337) 18.397 5.797 ( 9.716 -0.000 -10.321) 14.175 5.887 ( -10.539 0.000 -2.633) 10.862 6.393 ( 10.989 -0.000 -5.434) 12.259 6.594 ( 10.036 -0.000 0.610) 10.054 6.721 ( 2.801 -0.000 -13.288) 13.580 6.761 ( 17.085 -0.000 24.756) 30.079 6.835 ( 2.425 -0.000 -3.707) 4.430 6.916 ( 13.207 -0.000 6.057) 14.529 7.219 ( -1.687 0.000 -4.854) 5.139 7.311 ( 0.220 -0.000 1.139) 1.160 7.691 ( 4.097 -0.000 -9.693) 10.523 7.930 ( 1.593 -0.000 16.552) 16.629 8.051 ( -2.631 0.000 -8.171) 8.584 8.256 ( 8.332 -0.000 16.179) 18.198 8.441 ( -2.901 0.000 -7.293) 7.849 8.773 ( 24.377 -0.000 -18.742) 30.749 9.297 ( -10.140 0.000 -8.541) 13.258 9.631 ( 14.335 -0.000 4.474) 15.017 9.808 ( 9.422 -0.000 2.591) 9.772 10.038 ( -24.846 0.000 11.399) 27.336 10.388 ( 3.116 -0.000 -9.453) 9.953 10.449 ( 14.578 -0.000 8.085) 16.669 10.994 ( 20.699 -0.000 3.166) 20.940 11.011 ( -25.731 0.000 1.569) 25.779 11.692 ( 6.606 -0.000 -6.645) 9.370 12.087 ( -2.861 0.000 3.216) 4.304 13.159 ( -6.029 0.000 -11.009) 12.552 13.170 ( 3.066 -0.000 7.199) 7.824 14.035 ( 3.421 -0.000 0.000) 3.421 14.196 ( 4.066 -0.000 2.835) 4.957 14.537 ( -1.389 0.000 0.930) 1.672 14.635 ( 4.150 -0.000 -2.954) 5.094 15.161 ( -5.442 0.000 -0.934) 5.521 15.195 ( -6.091 0.000 -1.230) 6.214 15.334 ( -9.090 0.000 17.139) 19.401 15.912 ( -14.710 0.000 -13.209) 19.770 16.269 ( 5.877 -0.000 -1.941) 6.189 16.396 ( 7.906 -0.000 1.843) 8.118 19.478 ( 4.329 -0.000 -0.974) 4.438 19.554 ( 2.162 -0.000 1.132) 2.440 ======================= Grid point 175 (78/117) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.307 -0.176 0.975) 2.511 1.540 ( -1.680 -0.597 -5.230) 5.526 1.870 ( -6.109 -0.323 2.087) 6.464 1.938 ( -7.895 -3.312 0.378) 8.570 2.056 ( -1.116 1.070 -1.651) 2.262 2.111 ( 4.229 1.273 7.518) 8.719 2.307 ( -0.429 5.152 0.603) 5.205 2.380 ( 0.647 1.699 -5.152) 5.463 2.419 ( -1.760 0.498 -3.230) 3.712 2.441 ( -1.071 -3.077 -1.997) 3.821 2.513 ( -1.622 4.253 -0.411) 4.570 2.578 ( -3.454 -3.440 2.814) 5.629 2.691 ( -2.916 -2.620 4.008) 5.606 2.712 ( 2.475 -3.405 -1.599) 4.503 2.928 ( -5.420 1.658 -0.979) 5.752 3.041 ( 1.272 -4.365 -1.415) 4.762 3.202 ( -1.083 6.063 -0.823) 6.213 3.260 ( -0.809 -1.713 4.819) 5.178 3.393 ( 2.093 -6.773 -0.047) 7.089 3.605 ( 0.412 5.991 3.651) 7.028 3.842 ( 1.690 2.782 1.200) 3.469 3.910 ( -4.627 0.808 -5.312) 7.091 4.117 ( 2.216 4.116 2.336) 5.226 4.144 ( 0.965 1.168 1.845) 2.387 4.360 ( 6.775 1.323 2.989) 7.522 4.533 ( 3.395 -2.408 -4.772) 6.332 4.694 ( 12.409 -0.371 2.736) 12.712 4.941 ( 5.727 -0.930 -0.692) 5.843 4.966 ( 4.582 1.092 -2.657) 5.408 5.155 ( 2.674 -1.419 -8.070) 8.619 5.505 ( 5.793 3.556 2.893) 7.387 5.704 ( -6.409 1.527 -7.849) 10.247 5.804 ( 11.228 -3.272 15.302) 19.259 6.036 ( 15.362 -4.630 -10.168) 18.995 6.519 ( 3.182 0.236 -2.099) 3.820 6.717 ( 6.233 3.727 -2.543) 7.695 6.789 ( 6.327 -3.556 -1.339) 7.380 6.958 ( 13.240 1.752 1.298) 13.418 7.019 ( 1.494 -1.753 1.582) 2.794 7.086 ( 14.522 -2.573 17.894) 23.188 7.262 ( 4.677 5.481 -3.692) 8.096 7.419 ( 9.761 -10.884 -5.830) 15.740 7.746 ( 3.727 2.467 -8.052) 9.210 7.955 ( 0.186 0.271 11.628) 11.633 8.111 ( 7.638 0.234 -0.447) 7.654 8.284 ( -5.600 -1.923 -3.361) 6.808 8.509 ( 8.421 -3.406 14.733) 17.308 9.113 ( -4.590 5.665 -6.722) 9.917 9.199 ( 21.603 -5.781 -22.295) 31.578 9.585 ( -27.109 1.322 13.945) 30.514 9.869 ( 7.888 -7.751 -2.780) 11.403 9.982 ( 9.535 1.599 1.174) 9.739 10.407 ( -0.654 4.858 -6.518) 8.156 10.504 ( -11.834 -1.792 2.953) 12.328 10.797 ( 6.886 -0.486 3.377) 7.685 11.375 ( 19.870 0.068 5.821) 20.705 11.797 ( 6.975 0.970 -6.405) 9.519 12.015 ( -3.907 -2.754 2.391) 5.345 12.999 ( -5.711 10.435 -2.122) 12.083 13.229 ( -1.159 -5.878 2.342) 6.433 14.107 ( 5.172 0.254 -1.046) 5.283 14.244 ( 0.521 -1.730 2.259) 2.892 14.508 ( -1.882 0.298 1.432) 2.383 14.721 ( 6.856 3.679 -2.124) 8.066 15.020 ( -7.298 4.915 0.382) 8.807 15.062 ( -6.295 2.107 -1.592) 6.826 15.250 ( -8.229 -7.829 13.029) 17.285 15.619 ( -15.720 2.788 -11.317) 19.570 16.383 ( 7.086 -0.523 -1.357) 7.233 16.535 ( 5.813 -3.304 0.887) 6.745 19.560 ( 5.185 -0.105 -1.741) 5.471 19.591 ( 1.548 -0.641 1.798) 2.457 ======================= Grid point 176 (79/117) ======================= q-point: (-0.20 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 1.411 -2.687 -0.322) 3.053 1.564 ( 4.602 0.551 -2.713) 5.370 1.760 ( -6.680 -0.564 1.292) 6.827 1.848 ( -6.912 -3.464 -1.469) 7.870 2.038 ( -1.271 -1.830 -0.676) 2.328 2.168 ( -2.111 -1.190 5.850) 6.332 2.213 ( -2.638 2.128 2.449) 4.182 2.337 ( -0.287 4.501 -2.118) 4.982 2.370 ( -4.718 -1.146 -2.268) 5.358 2.409 ( 0.702 1.200 -0.855) 1.632 2.499 ( 2.818 5.177 -2.579) 6.434 2.528 ( -4.312 0.973 -0.405) 4.439 2.733 ( 2.426 -3.263 1.500) 4.334 2.808 ( 3.235 -6.094 0.470) 6.915 2.864 ( -2.922 -2.830 2.981) 5.043 3.097 ( 1.578 -2.769 -2.202) 3.874 3.162 ( 1.275 2.530 -3.170) 4.252 3.281 ( -1.246 -5.447 6.500) 8.572 3.452 ( -0.677 -1.317 -3.078) 3.416 3.572 ( 2.690 6.436 4.529) 8.316 3.793 ( -3.603 4.119 -2.922) 6.204 3.861 ( 0.822 0.683 -1.260) 1.652 4.080 ( -1.989 4.119 2.728) 5.326 4.112 ( -2.015 3.632 1.103) 4.298 4.432 ( 3.849 2.096 0.815) 4.458 4.590 ( 0.817 -4.089 -2.635) 4.932 4.822 ( 3.429 0.537 2.543) 4.303 5.010 ( 0.429 2.422 -2.915) 3.814 5.076 ( 10.593 1.541 -4.735) 11.705 5.240 ( 4.654 -4.774 -1.773) 6.899 5.507 ( -1.669 3.467 -1.030) 3.984 5.613 ( -1.217 1.399 -8.417) 8.618 6.012 ( 8.307 -1.372 14.121) 16.441 6.279 ( 6.843 -3.775 -7.946) 11.145 6.540 ( 0.809 -2.951 1.749) 3.525 6.798 ( 5.336 -0.536 -5.654) 7.793 6.916 ( 3.028 -1.778 5.900) 6.866 7.040 ( 1.994 -1.336 0.747) 2.513 7.182 ( 10.035 5.837 5.014) 12.646 7.282 ( 2.820 0.827 5.829) 6.528 7.381 ( 16.320 -3.952 2.572) 16.988 7.650 ( 1.297 -0.162 -11.042) 11.119 7.790 ( 12.141 -1.207 -4.386) 12.965 7.990 ( 1.224 -3.325 5.650) 6.669 8.150 ( -1.207 0.708 -2.686) 3.029 8.317 ( 7.777 -3.354 -2.246) 8.762 8.674 ( 3.201 -2.931 14.142) 14.792 8.977 ( -4.317 8.533 -0.615) 9.582 9.135 ( -19.538 1.014 10.692) 22.295 9.615 ( 17.929 -6.095 -21.569) 28.702 9.920 ( -13.908 -1.339 3.674) 14.447 10.053 ( -1.101 -12.803 -9.514) 15.989 10.290 ( 7.075 6.515 4.244) 10.513 10.545 ( 7.381 -0.046 -2.006) 7.648 10.910 ( 2.504 1.147 4.326) 5.128 11.482 ( -2.466 10.005 -3.478) 10.876 11.980 ( 14.547 -4.318 5.637) 16.188 12.128 ( 9.161 -10.386 -2.045) 13.999 12.765 ( -9.345 14.370 2.565) 17.332 13.223 ( -4.918 -3.288 -0.248) 5.921 14.204 ( 5.954 -0.926 -1.942) 6.331 14.271 ( 0.172 -4.365 0.724) 4.428 14.473 ( -1.979 0.540 2.261) 3.053 14.706 ( -1.097 11.879 1.721) 12.054 14.905 ( -5.812 3.428 1.399) 6.891 14.966 ( -1.584 -2.395 -0.274) 2.885 15.198 ( -6.373 -7.063 5.802) 11.143 15.352 ( -10.256 2.518 -9.158) 13.978 16.503 ( 6.110 -0.668 -0.620) 6.177 16.639 ( 3.055 -2.799 0.162) 4.146 19.615 ( 0.427 -0.602 1.820) 1.964 19.646 ( 4.606 -0.121 -1.802) 4.947 ======================= Grid point 177 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.627 -2.983 -0.359) 5.517 1.643 ( 1.294 2.461 -1.040) 2.968 1.678 ( -2.177 -2.760 -0.231) 3.523 1.740 ( -6.568 -1.200 -4.217) 7.897 2.033 ( -5.631 -5.525 2.820) 8.378 2.076 ( -2.600 -3.003 1.655) 4.303 2.221 ( 0.149 0.381 1.051) 1.127 2.293 ( -3.530 -0.411 -0.981) 3.687 2.342 ( 2.722 2.575 0.908) 3.856 2.422 ( 1.303 1.084 -0.965) 1.951 2.455 ( -0.886 1.216 -2.707) 3.097 2.497 ( 3.215 7.167 1.112) 7.933 2.775 ( 0.369 -0.841 5.276) 5.355 2.881 ( 0.901 -5.132 -0.755) 5.265 2.924 ( 0.585 -10.852 1.624) 10.989 3.134 ( 1.625 1.110 -2.675) 3.321 3.173 ( 1.328 0.837 -2.272) 2.761 3.309 ( -2.063 -5.274 6.982) 8.990 3.400 ( -1.536 5.032 -1.625) 5.506 3.571 ( 0.816 5.355 -1.356) 5.584 3.710 ( -2.387 -0.383 -2.961) 3.823 3.876 ( -0.042 -0.142 0.210) 0.257 4.013 ( -2.168 2.514 3.957) 5.165 4.034 ( -1.829 4.745 -0.647) 5.127 4.468 ( 2.816 2.525 -1.481) 4.062 4.631 ( 0.308 -3.475 -2.573) 4.335 4.848 ( 0.164 -0.179 2.019) 2.034 4.958 ( -2.432 3.065 -0.392) 3.932 5.212 ( 6.170 1.471 -7.347) 9.706 5.360 ( 4.548 -4.043 -0.864) 6.146 5.420 ( -4.993 1.402 -1.636) 5.438 5.589 ( 0.695 2.452 -9.014) 9.367 6.108 ( -0.213 1.679 14.759) 14.855 6.322 ( 0.943 -0.410 -2.671) 2.862 6.624 ( 2.187 -5.032 -2.054) 5.859 6.867 ( 0.995 -1.861 -4.040) 4.558 6.918 ( -5.744 -4.157 5.617) 9.046 7.082 ( 0.684 -0.146 2.346) 2.448 7.153 ( -6.452 1.794 2.736) 7.234 7.322 ( 0.934 2.637 8.939) 9.367 7.520 ( -6.066 5.716 -4.617) 9.528 7.722 ( 14.983 -2.066 -5.612) 16.133 8.005 ( 7.023 0.603 6.383) 9.509 8.095 ( 5.020 -9.713 -12.307) 16.462 8.187 ( 9.878 5.844 -0.521) 11.489 8.475 ( -0.430 5.564 5.683) 7.965 8.622 ( -0.056 -2.602 2.661) 3.722 8.788 ( -4.674 5.957 -1.633) 7.746 9.060 ( 2.498 -3.022 15.456) 15.945 9.597 ( -12.782 5.171 5.000) 14.667 9.858 ( -2.143 -10.207 -18.090) 20.881 10.205 ( 8.405 -9.377 -14.086) 18.894 10.429 ( 10.417 1.471 4.821) 11.573 10.666 ( 4.559 -2.115 4.032) 6.444 10.829 ( -8.478 5.782 -2.392) 10.537 11.311 ( -4.938 7.325 -0.386) 8.843 12.261 ( 10.506 -5.212 3.447) 12.224 12.390 ( 0.101 0.509 3.218) 3.260 12.469 ( -1.101 3.113 1.341) 3.564 13.112 ( -8.150 2.373 -2.072) 8.737 14.309 ( 4.528 -2.116 -2.632) 5.649 14.334 ( 0.990 -5.712 -2.444) 6.291 14.435 ( -1.971 1.302 3.597) 4.303 14.587 ( -1.160 6.633 1.991) 7.022 14.743 ( -8.030 2.599 2.659) 8.849 14.957 ( -3.228 -0.971 6.075) 6.948 15.184 ( -1.382 -2.873 -2.369) 3.972 15.255 ( 0.452 -2.202 -5.854) 6.271 16.591 ( 4.068 0.456 -0.067) 4.094 16.684 ( 0.176 -1.034 -0.244) 1.077 19.615 ( -1.013 -0.230 1.240) 1.618 19.710 ( 3.336 0.712 -1.260) 3.636 ======================= Grid point 185 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.455 -0.000 0.535) 0.702 1.563 ( 4.922 -0.000 -2.676) 5.602 1.780 ( -8.257 0.000 0.917) 8.307 1.784 ( -4.774 0.000 -0.353) 4.787 2.023 ( -2.874 0.000 -1.938) 3.466 2.163 ( -2.101 0.000 6.289) 6.631 2.235 ( -3.333 0.000 3.601) 4.907 2.334 ( -7.435 0.000 -4.000) 8.443 2.381 ( -1.879 0.000 -3.186) 3.699 2.460 ( 3.009 -0.000 -2.458) 3.885 2.523 ( 2.609 -0.000 0.107) 2.612 2.532 ( -3.325 0.000 -0.175) 3.329 2.709 ( 3.904 -0.000 6.565) 7.638 2.747 ( 3.448 -0.000 -3.957) 5.248 2.868 ( -1.969 0.000 1.301) 2.360 3.045 ( 0.892 -0.000 0.542) 1.044 3.208 ( -1.765 0.000 -2.440) 3.011 3.225 ( -0.471 0.000 2.945) 2.983 3.409 ( 2.839 -0.000 -2.125) 3.546 3.638 ( 0.249 -0.000 2.525) 2.538 3.822 ( -5.279 0.000 -6.040) 8.022 3.885 ( 1.479 -0.000 2.924) 3.277 4.120 ( -3.392 0.000 3.212) 4.672 4.145 ( -1.450 0.000 0.836) 1.674 4.474 ( 4.523 -0.000 5.758) 7.322 4.532 ( 0.617 -0.000 -6.529) 6.558 4.827 ( 3.557 -0.000 2.068) 4.114 5.036 ( 1.687 -0.000 -3.819) 4.175 5.101 ( 10.512 -0.000 -0.978) 10.557 5.184 ( 4.027 -0.000 -5.017) 6.433 5.550 ( -1.857 0.000 0.970) 2.095 5.614 ( -2.330 0.000 -9.254) 9.542 6.013 ( 9.823 -0.000 15.088) 18.004 6.230 ( 10.332 -0.000 -10.271) 14.568 6.512 ( -1.874 0.000 3.371) 3.856 6.789 ( 2.745 -0.000 -9.365) 9.759 6.905 ( 4.748 -0.000 8.845) 10.039 7.027 ( 1.849 -0.000 1.631) 2.466 7.267 ( 1.247 -0.000 5.777) 5.911 7.295 ( 8.641 -0.000 17.320) 19.355 7.317 ( 19.056 -0.000 -7.739) 20.567 7.612 ( 13.646 -0.000 -16.106) 21.109 7.821 ( 4.999 -0.000 -9.806) 11.006 7.946 ( -1.405 0.000 10.544) 10.638 8.177 ( -0.858 0.000 -5.843) 5.906 8.276 ( 9.439 -0.000 2.022) 9.653 8.641 ( 6.496 -0.000 19.083) 20.159 9.075 ( -1.781 0.000 2.201) 2.831 9.134 ( -24.490 0.000 9.113) 26.131 9.557 ( 20.436 -0.000 -21.882) 29.941 9.872 ( -0.929 0.000 -12.207) 12.242 9.960 ( -15.093 0.000 1.609) 15.179 10.354 ( 5.196 -0.000 4.490) 6.868 10.545 ( 8.644 -0.000 -5.213) 10.094 10.916 ( 2.857 -0.000 8.378) 8.852 11.583 ( -0.439 0.000 -1.083) 1.169 11.958 ( 11.446 -0.000 -9.953) 15.168 12.009 ( 9.411 -0.000 10.542) 14.131 12.943 ( -7.689 0.000 -1.355) 7.807 13.143 ( -5.292 0.000 3.949) 6.604 14.200 ( 5.818 -0.000 -2.705) 6.416 14.228 ( -1.147 0.000 2.273) 2.546 14.476 ( -2.090 0.000 1.701) 2.695 14.879 ( 8.918 -0.000 -2.259) 9.199 14.887 ( -9.503 0.000 1.832) 9.678 14.974 ( -6.353 0.000 -2.406) 6.793 15.089 ( -7.565 0.000 12.018) 14.200 15.375 ( -11.990 0.000 -10.467) 15.915 16.498 ( 6.556 -0.000 -0.611) 6.585 16.612 ( 4.259 -0.000 0.271) 4.268 19.610 ( 0.668 -0.000 1.746) 1.869 19.645 ( 4.906 -0.000 -1.728) 5.201 ======================= Grid point 186 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 4.255 -2.525 0.976) 5.044 1.637 ( -6.455 -0.013 -1.847) 6.714 1.663 ( -2.188 -2.015 -4.186) 5.135 1.720 ( 1.158 -0.068 -0.863) 1.446 1.971 ( -4.377 -1.128 3.899) 5.969 2.031 ( -8.728 -1.694 2.822) 9.328 2.218 ( -4.656 -1.190 -3.171) 5.758 2.275 ( 3.015 -0.005 0.859) 3.135 2.375 ( 1.631 0.947 0.393) 1.927 2.455 ( -2.969 1.090 -0.306) 3.178 2.494 ( 1.737 2.857 0.168) 3.348 2.578 ( 3.131 0.913 1.768) 3.710 2.773 ( 2.761 -1.203 3.168) 4.371 2.811 ( 2.222 -3.561 -1.455) 4.442 2.835 ( -1.128 3.585 3.358) 5.040 3.083 ( 0.571 -6.173 0.957) 6.273 3.194 ( 1.168 1.108 -3.877) 4.198 3.230 ( -0.705 -1.404 3.186) 3.552 3.445 ( 0.924 0.163 -5.232) 5.316 3.633 ( 0.222 1.653 0.958) 1.923 3.722 ( -5.373 0.777 -6.832) 8.727 3.891 ( -0.831 1.211 3.243) 3.561 4.056 ( -2.559 1.760 5.133) 6.000 4.099 ( -2.347 2.106 -1.522) 3.501 4.514 ( 2.733 2.899 -0.975) 4.101 4.570 ( 1.345 -3.426 -1.330) 3.913 4.846 ( -0.915 -0.049 1.787) 2.008 5.009 ( -2.340 1.977 -1.021) 3.229 5.241 ( 6.962 1.885 -5.896) 9.316 5.288 ( 5.632 -3.533 -3.527) 7.526 5.460 ( -6.830 2.132 1.067) 7.234 5.608 ( 1.746 -0.029 -10.510) 10.654 6.128 ( 2.153 0.669 14.941) 15.110 6.333 ( 2.557 1.018 -6.939) 7.465 6.526 ( 1.866 -4.309 3.530) 5.875 6.819 ( 0.254 -2.115 -6.067) 6.430 6.878 ( -8.003 -0.990 7.975) 11.341 7.078 ( 1.795 -0.089 2.781) 3.311 7.186 ( -7.278 1.200 4.384) 8.581 7.376 ( 2.036 2.748 8.319) 8.994 7.608 ( -2.144 4.030 -7.845) 9.076 7.674 ( 7.622 -3.477 -6.834) 10.812 7.963 ( 8.683 -2.888 -14.191) 16.886 8.007 ( 9.503 -1.315 8.727) 12.969 8.317 ( 17.311 8.067 -2.498) 19.261 8.466 ( 14.081 -6.261 -2.054) 15.546 8.684 ( -8.534 8.970 14.717) 19.232 8.825 ( -5.982 -3.969 9.325) 11.768 9.032 ( -4.063 0.675 15.008) 15.563 9.667 ( -13.003 1.763 -4.745) 13.954 9.709 ( -4.539 -4.343 -18.813) 19.834 10.010 ( 14.526 -8.274 -16.419) 23.432 10.485 ( 8.625 2.326 4.621) 10.057 10.672 ( 5.968 1.338 0.332) 6.125 10.886 ( -6.693 0.978 6.840) 9.619 11.431 ( -9.989 4.729 -3.696) 11.654 12.169 ( 11.565 -3.645 -7.438) 14.225 12.268 ( 13.509 -4.621 10.157) 17.522 12.719 ( -11.009 13.392 1.991) 17.450 13.063 ( -8.351 -6.414 0.496) 10.541 14.230 ( -0.337 -4.006 1.476) 4.283 14.294 ( 5.253 -0.116 -4.218) 6.737 14.444 ( -1.937 0.029 3.279) 3.809 14.717 ( -6.775 5.348 4.503) 9.735 14.812 ( -9.868 3.861 -2.095) 10.801 14.952 ( -2.165 2.054 5.970) 6.674 15.078 ( 2.122 -8.087 0.643) 8.386 15.233 ( -3.188 -0.566 -8.758) 9.337 16.599 ( 5.362 0.284 0.316) 5.379 16.667 ( 1.594 -0.687 -0.483) 1.802 19.613 ( -0.577 -0.060 1.111) 1.253 19.721 ( 4.271 0.347 -1.164) 4.440 ======================= Grid point 187 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -13.642 -2.639 -9.114) 16.618 1.498 ( -4.237 -8.640 6.117) 11.402 1.569 ( 1.345 0.596 -6.019) 6.196 1.808 ( 0.495 2.406 4.580) 5.197 1.872 ( -3.480 -5.329 -1.149) 6.468 2.023 ( 0.541 -5.134 4.660) 6.954 2.191 ( 0.279 -2.077 -0.209) 2.106 2.312 ( 2.418 1.172 -2.544) 3.700 2.389 ( -0.866 2.578 0.832) 2.844 2.439 ( 3.931 -0.022 1.108) 4.084 2.487 ( 0.239 3.327 2.055) 3.918 2.618 ( 4.307 4.046 2.326) 6.350 2.778 ( -2.073 2.355 4.352) 5.365 2.833 ( -0.412 -5.970 3.933) 7.161 2.884 ( 2.393 -4.777 -1.442) 5.534 3.147 ( 0.224 -3.256 -2.890) 4.359 3.208 ( 1.192 1.270 0.026) 1.742 3.228 ( -1.012 -4.312 2.414) 5.044 3.418 ( -0.480 4.842 -5.424) 7.287 3.588 ( -4.193 4.884 -6.839) 9.392 3.652 ( -1.378 -3.113 -1.955) 3.926 3.843 ( -3.657 0.499 2.668) 4.554 4.033 ( 0.601 1.810 5.512) 5.833 4.037 ( -1.236 3.747 -3.488) 5.266 4.525 ( 0.801 2.337 -3.755) 4.495 4.611 ( 0.645 -1.702 -0.125) 1.824 4.814 ( -3.352 -1.002 1.450) 3.787 4.947 ( -1.836 2.795 0.549) 3.388 5.232 ( -8.021 2.102 -7.187) 10.973 5.366 ( 1.313 1.762 1.508) 2.666 5.409 ( 4.854 -3.879 -5.071) 8.020 5.619 ( 1.178 3.053 -11.694) 12.144 6.087 ( -6.250 3.563 14.107) 15.835 6.333 ( -1.806 -1.508 -0.974) 2.546 6.599 ( 0.925 -2.901 -0.006) 3.045 6.723 ( -11.288 -3.104 6.391) 13.338 6.811 ( -4.058 -3.076 -3.369) 6.106 7.032 ( -7.795 1.593 4.804) 9.294 7.079 ( -1.593 -0.048 2.303) 2.801 7.365 ( -0.660 3.275 3.093) 4.553 7.422 ( -9.738 5.713 -4.026) 11.987 7.743 ( -4.049 -5.970 1.461) 7.360 8.094 ( 4.862 -4.642 -10.899) 12.806 8.236 ( 9.809 1.478 2.024) 10.124 8.377 ( -10.671 11.921 12.845) 20.518 8.511 ( 13.989 11.205 -4.462) 18.470 8.730 ( -7.406 3.736 2.634) 8.703 8.823 ( 14.544 -0.325 4.638) 15.269 9.124 ( 13.271 -9.320 10.516) 19.328 9.477 ( -7.481 -0.914 -5.558) 9.365 9.638 ( -6.417 -5.760 -12.834) 15.462 10.311 ( 11.462 -7.230 -14.222) 19.645 10.585 ( 1.188 0.785 7.577) 7.709 10.676 ( -4.365 5.533 2.534) 7.489 10.729 ( -3.139 3.071 -2.254) 4.936 11.250 ( -6.461 2.152 -0.475) 6.827 12.329 ( -14.127 16.286 4.954) 22.121 12.352 ( 4.694 -3.659 -3.696) 7.005 12.556 ( 9.466 -5.468 5.122) 12.072 12.967 ( -7.317 -3.663 -2.574) 8.578 14.286 ( 0.336 -6.563 -1.243) 6.688 14.353 ( 1.520 0.179 -5.291) 5.508 14.418 ( -1.429 0.839 6.079) 6.301 14.586 ( -6.819 4.658 -3.225) 8.865 14.634 ( -3.590 -1.301 8.515) 9.332 14.894 ( -3.573 -1.557 6.894) 7.920 15.135 ( -1.424 -3.520 -4.374) 5.792 15.291 ( 7.248 -3.544 -4.533) 9.254 16.664 ( 1.015 1.140 -2.024) 2.535 16.679 ( 1.848 0.833 2.256) 3.033 19.592 ( -1.788 0.200 -0.181) 1.808 19.778 ( 3.464 1.837 -0.076) 3.921 ======================= Grid point 196 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -7.769 0.000 9.149) 12.003 1.453 ( -15.004 0.000 -11.894) 19.147 1.576 ( 2.824 -0.000 -6.193) 6.806 1.814 ( 1.463 -0.000 0.873) 1.703 1.853 ( -8.258 0.000 2.995) 8.784 1.964 ( 3.461 -0.000 3.214) 4.723 2.169 ( 0.586 -0.000 2.427) 2.497 2.322 ( 0.886 -0.000 -2.950) 3.080 2.409 ( -2.497 0.000 2.643) 3.636 2.445 ( 6.459 -0.000 1.308) 6.590 2.527 ( 0.411 -0.000 1.695) 1.745 2.644 ( 3.581 -0.000 3.791) 5.215 2.786 ( -1.907 0.000 4.758) 5.126 2.829 ( 2.322 -0.000 -1.994) 3.061 2.847 ( -0.730 0.000 2.566) 2.667 3.048 ( 0.543 -0.000 -0.111) 0.554 3.219 ( 1.095 -0.000 -3.875) 4.027 3.223 ( -0.275 0.000 0.381) 0.470 3.462 ( 1.103 -0.000 -7.630) 7.709 3.624 ( -1.485 0.000 0.154) 1.493 3.630 ( -4.810 0.000 -8.558) 9.817 3.848 ( -3.963 0.000 4.083) 5.690 4.057 ( 0.465 -0.000 5.880) 5.899 4.070 ( -1.941 0.000 -4.014) 4.459 4.548 ( 0.700 -0.000 -7.034) 7.069 4.594 ( 2.319 -0.000 3.822) 4.470 4.805 ( -3.579 0.000 0.864) 3.682 4.975 ( -2.407 0.000 1.159) 2.672 5.259 ( -9.277 0.000 -6.757) 11.477 5.365 ( 5.329 -0.000 -6.400) 8.328 5.388 ( 1.749 -0.000 2.275) 2.870 5.647 ( 3.467 -0.000 -13.565) 14.001 6.120 ( -4.734 0.000 16.159) 16.838 6.318 ( -5.751 0.000 -3.342) 6.652 6.565 ( 4.250 -0.000 3.373) 5.426 6.697 ( -10.884 0.000 5.589) 12.235 6.773 ( -3.802 0.000 -3.450) 5.134 7.054 ( -8.406 0.000 7.975) 11.588 7.078 ( -1.723 0.000 2.700) 3.203 7.394 ( -3.418 0.000 -1.878) 3.900 7.511 ( -6.789 0.000 -4.742) 8.281 7.651 ( -4.894 0.000 2.786) 5.631 8.052 ( 5.549 -0.000 -12.128) 13.337 8.245 ( 7.260 -0.000 1.187) 7.357 8.504 ( 2.376 -0.000 11.970) 12.203 8.674 ( 8.737 -0.000 -4.357) 9.764 8.754 ( -10.849 0.000 9.473) 14.402 8.807 ( 15.703 -0.000 5.993) 16.808 8.999 ( 12.941 -0.000 17.784) 21.994 9.434 ( -15.659 0.000 -24.594) 29.156 9.613 ( 1.651 -0.000 -6.555) 6.760 10.227 ( 13.811 -0.000 -14.916) 20.328 10.591 ( -1.143 0.000 9.670) 9.738 10.745 ( 1.164 -0.000 -1.142) 1.631 10.758 ( -5.638 0.000 3.937) 6.877 11.270 ( -8.898 0.000 -3.531) 9.573 12.305 ( 6.261 -0.000 -7.236) 9.569 12.442 ( 4.513 -0.000 8.761) 9.855 12.616 ( -6.843 0.000 2.252) 7.204 12.874 ( -8.282 0.000 -0.233) 8.285 14.208 ( 0.068 -0.000 1.692) 1.693 14.356 ( 1.933 -0.000 -7.054) 7.314 14.423 ( -0.681 0.000 7.031) 7.064 14.633 ( -5.081 0.000 6.523) 8.268 14.642 ( -11.123 0.000 -2.758) 11.460 14.886 ( -5.165 0.000 7.599) 9.188 15.092 ( -0.470 0.000 -4.166) 4.192 15.253 ( 7.275 -0.000 -5.574) 9.165 16.671 ( -0.803 0.000 -1.668) 1.852 16.689 ( 4.996 -0.000 2.088) 5.415 19.594 ( -1.655 0.000 -0.258) 1.674 19.795 ( 4.358 -0.000 -0.081) 4.358 ======================= Grid point 197 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -17.553 -2.667 -5.606) 18.619 1.232 ( -14.990 -8.733 10.845) 20.459 1.592 ( -3.420 -0.400 -11.755) 12.249 1.768 ( -5.877 -3.986 -8.966) 11.437 1.823 ( 5.766 1.126 7.302) 9.372 2.058 ( 2.151 -2.429 4.040) 5.181 2.177 ( -4.044 -2.246 15.389) 16.069 2.330 ( 0.972 0.028 -0.594) 1.139 2.407 ( 4.124 0.770 2.065) 4.676 2.509 ( -0.514 3.893 2.287) 4.544 2.555 ( 5.227 1.426 0.103) 5.419 2.699 ( 2.087 0.438 2.369) 3.187 2.733 ( -1.391 -0.843 -0.082) 1.629 2.830 ( 0.770 2.242 3.547) 4.266 2.900 ( 4.120 -3.608 -1.705) 5.736 3.099 ( 0.969 -5.603 -5.618) 7.994 3.202 ( -1.462 0.933 -3.345) 3.768 3.221 ( -0.629 -0.563 -2.866) 2.988 3.459 ( 1.324 3.264 -7.853) 8.607 3.536 ( -3.501 2.692 -7.189) 8.437 3.612 ( -0.741 -1.440 0.047) 1.620 3.793 ( -2.708 0.617 2.527) 3.755 4.019 ( -2.688 1.506 -3.956) 5.015 4.067 ( 0.324 0.569 5.438) 5.477 4.539 ( -0.816 4.093 -2.807) 5.030 4.613 ( -0.586 -1.059 -0.858) 1.483 4.749 ( -2.356 0.323 -0.223) 2.389 4.942 ( -1.210 0.780 3.350) 3.646 5.020 ( -15.301 -0.212 -5.964) 16.424 5.414 ( -0.195 -0.324 -9.112) 9.120 5.449 ( 3.328 -0.375 0.257) 3.359 5.674 ( 3.245 4.854 -15.098) 16.188 5.994 ( -10.038 3.324 15.460) 18.730 6.177 ( -10.659 -5.191 2.957) 12.219 6.553 ( -7.562 -0.281 -0.392) 7.577 6.631 ( 2.571 -0.045 -0.002) 2.571 6.692 ( -6.556 -1.417 -0.335) 6.716 6.965 ( -1.641 1.324 13.411) 13.576 7.051 ( -1.135 -0.467 4.366) 4.536 7.236 ( -11.045 1.051 -6.048) 12.636 7.412 ( -2.689 6.112 2.406) 7.098 7.575 ( -8.059 -7.403 2.916) 11.325 8.092 ( -3.992 -1.951 -12.351) 13.126 8.230 ( -3.416 3.755 8.944) 10.284 8.435 ( -7.998 9.230 11.721) 16.928 8.553 ( -2.133 4.253 5.377) 7.180 8.878 ( 6.346 3.610 6.485) 9.765 8.967 ( 10.623 -3.392 -2.330) 11.392 9.156 ( -16.764 -9.092 -18.493) 26.565 9.416 ( 19.249 -0.985 -3.126) 19.526 9.719 ( 13.606 1.576 -3.528) 14.144 10.358 ( -5.605 3.268 0.096) 6.489 10.442 ( -7.028 -5.507 3.182) 9.478 10.718 ( 2.025 5.725 -7.871) 9.941 10.806 ( 7.592 0.051 1.174) 7.682 11.172 ( -2.564 0.406 0.450) 2.634 12.221 ( -15.471 15.439 2.124) 21.960 12.333 ( -4.683 -1.486 -3.621) 6.103 12.678 ( 7.800 -1.200 5.334) 9.525 12.834 ( -0.745 -7.653 -2.941) 8.232 14.237 ( -0.029 -4.315 0.336) 4.328 14.350 ( -1.144 0.360 -3.982) 4.158 14.407 ( -2.345 1.562 4.912) 5.662 14.451 ( -9.546 1.351 -2.775) 10.032 14.617 ( 1.982 -5.078 12.828) 13.938 14.828 ( -2.733 -1.908 5.395) 6.342 15.051 ( -4.684 -3.173 -3.971) 6.912 15.420 ( 10.967 -2.037 -4.432) 12.002 16.630 ( -3.577 0.392 -3.464) 4.995 16.764 ( 3.786 1.769 4.726) 6.308 19.560 ( -1.904 0.204 -2.305) 2.996 19.864 ( 4.526 2.318 1.276) 5.243 ======================= Grid point 207 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -16.521 0.000 6.975) 17.933 0.918 ( -17.239 0.000 16.004) 23.523 1.481 ( -6.183 0.000 -15.363) 16.560 1.622 ( -7.102 0.000 -12.102) 14.032 1.806 ( -26.215 0.000 23.110) 34.947 1.980 ( 8.394 -0.000 6.939) 10.891 2.196 ( 4.273 -0.000 3.358) 5.434 2.399 ( 7.131 -0.000 0.439) 7.144 2.466 ( -1.332 0.000 6.759) 6.889 2.575 ( 7.170 -0.000 1.331) 7.292 2.620 ( 1.276 -0.000 -2.384) 2.704 2.731 ( 0.965 -0.000 1.201) 1.540 2.745 ( 4.594 -0.000 -3.344) 5.682 2.862 ( 0.241 -0.000 6.300) 6.304 2.965 ( 5.526 -0.000 -4.641) 7.216 3.097 ( 2.631 -0.000 -17.444) 17.641 3.134 ( -5.002 0.000 -8.658) 9.998 3.211 ( -0.041 0.000 -1.755) 1.756 3.492 ( 1.883 -0.000 -8.536) 8.741 3.529 ( 1.632 -0.000 -1.291) 2.081 3.599 ( -0.960 0.000 1.991) 2.210 3.763 ( -1.895 0.000 0.686) 2.015 3.970 ( -2.719 0.000 -1.645) 3.178 4.071 ( -0.395 0.000 5.066) 5.081 4.508 ( -7.760 0.000 -7.581) 10.849 4.593 ( 0.740 -0.000 0.178) 0.761 4.727 ( -15.858 0.000 -5.612) 16.822 4.761 ( 1.680 -0.000 -0.561) 1.772 4.946 ( 1.191 -0.000 4.601) 4.753 5.313 ( -10.515 0.000 -19.789) 22.409 5.462 ( -3.164 0.000 8.234) 8.821 5.707 ( -6.951 0.000 -12.496) 14.299 5.905 ( 2.048 -0.000 14.169) 14.316 5.992 ( -5.201 0.000 -0.593) 5.235 6.426 ( -7.951 0.000 0.366) 7.959 6.577 ( -5.977 0.000 5.635) 8.215 6.644 ( -2.229 0.000 -4.139) 4.701 7.017 ( -5.885 0.000 -0.135) 5.887 7.050 ( 7.763 -0.000 22.936) 24.214 7.081 ( -3.786 0.000 0.506) 3.820 7.397 ( -4.192 0.000 2.771) 5.025 7.402 ( -4.763 0.000 2.047) 5.185 7.880 ( -15.009 0.000 -3.070) 15.320 8.241 ( 0.529 -0.000 12.418) 12.429 8.386 ( -0.144 0.000 5.828) 5.830 8.595 ( -4.920 0.000 -12.054) 13.020 8.776 ( -10.724 0.000 -6.447) 12.513 8.878 ( -4.923 0.000 12.979) 13.881 9.139 ( 3.054 -0.000 -18.901) 19.146 9.628 ( 6.360 -0.000 -7.126) 9.551 9.962 ( 8.095 -0.000 1.787) 8.290 10.228 ( -4.710 0.000 11.253) 12.198 10.369 ( 0.288 -0.000 -3.259) 3.272 10.801 ( 2.517 -0.000 -11.839) 12.103 10.977 ( 14.357 -0.000 -3.505) 14.779 11.208 ( 6.758 -0.000 5.016) 8.416 12.034 ( -17.183 0.000 -3.907) 17.622 12.177 ( -10.140 0.000 -0.490) 10.152 12.809 ( 6.756 -0.000 4.820) 8.299 12.828 ( 4.721 -0.000 -3.743) 6.025 14.213 ( -2.388 0.000 0.899) 2.552 14.308 ( -5.869 0.000 -2.545) 6.397 14.317 ( -3.542 0.000 -4.405) 5.652 14.375 ( -2.537 0.000 1.558) 2.977 14.659 ( 7.430 -0.000 30.966) 31.845 14.801 ( 0.948 -0.000 1.929) 2.149 14.924 ( -7.484 0.000 -1.822) 7.703 15.613 ( 13.356 -0.000 -5.102) 14.297 16.539 ( -7.206 0.000 -5.844) 9.278 16.811 ( -1.057 0.000 8.004) 8.073 19.539 ( 0.253 -0.000 -4.451) 4.458 19.969 ( 5.797 -0.000 1.276) 5.936 ======================= Grid point 208 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 6.830 -0.000 -20.879) 21.968 1.032 ( -6.830 0.000 20.879) 21.968 1.054 ( 2.480 -0.000 -24.416) 24.542 1.054 ( -2.480 0.000 24.416) 24.542 2.000 ( -2.832 0.000 -40.244) 40.344 2.000 ( 2.832 -0.000 40.244) 40.344 2.251 ( -0.768 0.000 -2.043) 2.183 2.251 ( 0.768 -0.000 2.043) 2.183 2.557 ( 0.773 -0.000 -5.364) 5.420 2.557 ( -0.773 0.000 5.364) 5.420 2.733 ( -0.196 0.000 -0.722) 0.748 2.733 ( 0.196 -0.000 0.722) 0.748 2.808 ( 2.602 -0.000 -1.471) 2.989 2.808 ( -2.602 0.000 1.471) 2.989 2.988 ( 0.804 -0.000 -4.393) 4.466 2.988 ( -0.804 0.000 4.393) 4.466 3.219 ( -7.688 0.000 1.496) 7.832 3.219 ( 7.688 -0.000 -1.496) 7.832 3.476 ( 2.641 -0.000 -2.115) 3.383 3.476 ( -2.641 0.000 2.115) 3.383 3.684 ( -0.417 0.000 -2.891) 2.921 3.684 ( 0.417 -0.000 2.891) 2.921 4.089 ( -1.117 0.000 -0.922) 1.449 4.089 ( 1.117 -0.000 0.922) 1.449 4.178 ( -0.807 0.000 -7.229) 7.274 4.178 ( 0.807 -0.000 7.229) 7.274 4.640 ( -0.977 0.000 -0.868) 1.307 4.640 ( 0.977 -0.000 0.868) 1.307 5.027 ( 6.195 -0.000 -3.336) 7.036 5.027 ( -6.195 0.000 3.336) 7.036 5.392 ( 1.139 -0.000 -1.672) 2.023 5.392 ( -1.139 0.000 1.672) 2.023 6.120 ( -2.283 0.000 -3.130) 3.875 6.120 ( 2.283 -0.000 3.130) 3.875 6.349 ( 0.360 -0.000 -8.475) 8.483 6.349 ( -0.360 0.000 8.475) 8.483 6.727 ( -1.966 0.000 -9.327) 9.532 6.727 ( 1.966 -0.000 9.327) 9.532 7.128 ( 2.465 -0.000 -9.031) 9.361 7.128 ( -2.465 0.000 9.031) 9.361 7.388 ( -9.905 0.000 -9.810) 13.941 7.388 ( 9.905 -0.000 9.810) 13.941 8.145 ( -16.865 0.000 -13.255) 21.450 8.145 ( 16.865 -0.000 13.255) 21.450 8.388 ( -15.417 0.000 4.458) 16.049 8.388 ( 15.417 -0.000 -4.458) 16.049 8.567 ( -6.477 0.000 -4.855) 8.094 8.567 ( 6.477 -0.000 4.855) 8.094 9.289 ( -10.542 0.000 -13.413) 17.060 9.289 ( 10.542 -0.000 13.413) 17.060 10.208 ( -3.191 0.000 -11.714) 12.141 10.208 ( 3.191 -0.000 11.714) 12.141 10.513 ( 1.572 -0.000 -11.794) 11.898 10.513 ( -1.572 0.000 11.794) 11.898 11.411 ( 19.033 -0.000 -9.372) 21.215 11.411 ( -19.033 0.000 9.372) 21.215 11.760 ( -12.573 0.000 -4.151) 13.240 11.760 ( 12.573 -0.000 4.151) 13.240 12.961 ( 2.731 -0.000 -1.356) 3.049 12.961 ( -2.731 0.000 1.356) 3.049 14.050 ( -2.877 0.000 0.870) 3.005 14.050 ( 2.877 -0.000 -0.870) 3.005 14.311 ( -1.589 0.000 -0.333) 1.624 14.311 ( 1.589 -0.000 0.333) 1.624 14.773 ( 1.466 -0.000 -2.332) 2.754 14.773 ( -1.466 0.000 2.332) 2.754 15.946 ( 9.541 -0.000 -4.708) 10.639 15.946 ( -9.541 0.000 4.708) 10.639 16.513 ( -29.347 0.000 1.308) 29.376 16.513 ( 29.347 -0.000 -1.308) 29.376 19.691 ( -14.583 0.000 -1.243) 14.636 19.691 ( 14.583 -0.000 1.243) 14.636 ======================= Grid point 210 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 3.256 -2.370 17.850) 18.298 1.128 ( 3.008 -8.037 14.523) 16.869 1.143 ( 6.154 -3.293 -14.189) 15.813 1.174 ( 9.421 -7.794 -21.379) 24.629 2.036 ( 5.713 -3.630 -16.601) 17.928 2.180 ( 5.875 -3.775 23.230) 24.257 2.220 ( 0.930 -0.785 9.768) 9.844 2.296 ( 6.791 -2.230 -12.126) 14.076 2.520 ( -1.271 4.915 1.642) 5.336 2.557 ( 0.809 3.364 -2.775) 4.436 2.676 ( -6.296 2.177 -1.817) 6.905 2.719 ( -4.935 -1.821 1.334) 5.427 2.772 ( -1.669 -1.889 1.589) 2.980 2.809 ( -2.484 -2.573 -0.723) 3.649 2.955 ( -2.668 -2.572 4.014) 5.463 3.004 ( 1.879 -1.599 -6.349) 6.811 3.074 ( -6.918 -0.522 2.535) 7.387 3.254 ( -2.499 0.555 -2.169) 3.356 3.404 ( -5.740 0.743 4.471) 7.313 3.511 ( 2.193 2.046 -0.304) 3.014 3.673 ( 0.458 2.596 -3.518) 4.396 3.702 ( 2.921 2.687 1.046) 4.104 3.993 ( -4.938 1.354 -0.994) 5.215 4.085 ( 1.448 -0.143 -1.052) 1.795 4.259 ( 7.550 1.352 -3.555) 8.454 4.331 ( 12.489 -0.070 5.590) 13.683 4.646 ( 0.652 1.413 -1.529) 2.181 4.704 ( 4.020 0.646 2.064) 4.565 4.951 ( 1.407 2.004 1.767) 3.019 5.085 ( -0.621 -4.135 -3.273) 5.310 5.408 ( 0.568 1.910 8.845) 9.066 5.514 ( 11.067 -0.740 -2.222) 11.312 5.999 ( -6.641 2.442 -4.657) 8.471 6.102 ( 0.893 0.709 -3.589) 3.766 6.359 ( 3.051 3.153 1.647) 4.686 6.423 ( 4.941 -3.095 4.084) 7.118 6.684 ( 0.868 5.751 -9.596) 11.221 6.803 ( 6.356 0.214 5.853) 8.643 7.177 ( 5.840 7.387 -4.612) 10.485 7.245 ( 0.482 0.323 -1.417) 1.531 7.323 ( 11.227 -4.037 -6.183) 13.438 7.561 ( 6.691 3.510 7.857) 10.901 7.876 ( -11.384 -2.048 -4.183) 12.300 8.000 ( -12.826 0.287 10.475) 16.562 8.439 ( 2.063 8.963 -7.080) 11.607 8.535 ( 15.504 0.332 10.100) 18.507 8.567 ( 1.555 -4.476 -5.343) 7.141 8.875 ( 19.184 0.328 -8.052) 20.808 9.126 ( -5.880 -4.916 -13.238) 15.297 9.423 ( 1.712 -0.904 13.278) 13.418 10.083 ( -0.604 14.102 -3.036) 14.438 10.252 ( 3.194 0.699 4.871) 5.867 10.468 ( -6.803 1.350 -8.227) 10.761 10.538 ( 0.613 -2.533 7.157) 7.617 11.104 ( -14.914 1.100 9.228) 17.572 11.497 ( -17.172 0.099 -0.882) 17.195 11.693 ( 17.012 5.349 -6.424) 18.955 11.955 ( 10.075 -0.558 4.260) 10.953 12.869 ( -7.097 0.713 1.805) 7.358 12.970 ( -1.797 -2.535 -1.634) 3.511 14.077 ( 5.590 0.707 2.785) 6.286 14.148 ( 7.425 0.848 0.158) 7.475 14.284 ( -0.950 0.412 -0.676) 1.236 14.340 ( 2.373 0.646 0.171) 2.465 14.796 ( 1.357 -3.807 0.897) 4.140 14.842 ( 3.244 -5.532 -0.662) 6.447 15.681 ( -21.419 0.721 -3.740) 21.755 15.776 ( -24.942 -10.338 -1.248) 27.029 16.336 ( 7.786 1.426 -2.608) 8.334 16.890 ( 12.278 2.669 -9.742) 15.899 19.486 ( -6.411 0.572 4.881) 8.077 19.861 ( 5.683 4.258 6.639) 9.722 ======================= Grid point 211 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 4.628 -1.936 -6.832) 8.476 1.228 ( 4.580 -7.238 4.538) 9.693 1.380 ( 10.879 -11.093 13.489) 20.576 1.437 ( 11.964 -12.525 -15.221) 23.058 2.061 ( -4.994 1.023 -2.938) 5.884 2.150 ( -2.249 -2.805 1.726) 3.989 2.361 ( -0.717 2.163 1.365) 2.656 2.448 ( 0.209 4.391 2.472) 5.043 2.478 ( -2.919 4.466 -2.065) 5.721 2.538 ( 9.742 -3.034 -10.690) 14.778 2.572 ( -3.421 2.064 5.210) 6.565 2.651 ( -0.056 -4.271 13.708) 14.358 2.747 ( -3.319 -0.834 -1.304) 3.662 2.830 ( 0.286 -8.406 -3.130) 8.974 2.987 ( 1.120 -2.435 2.189) 3.461 2.990 ( -3.520 -1.823 -2.810) 4.859 3.051 ( 0.040 -4.202 -1.944) 4.630 3.201 ( 1.618 0.170 -3.279) 3.661 3.330 ( -1.980 2.279 4.782) 5.656 3.497 ( -0.203 4.858 -1.999) 5.257 3.651 ( -0.390 0.857 -2.428) 2.604 3.737 ( 3.958 3.161 0.913) 5.147 3.930 ( -1.300 1.055 0.344) 1.709 4.111 ( 1.155 1.009 -0.427) 1.592 4.391 ( 10.356 3.814 -3.266) 11.509 4.543 ( 8.032 2.475 4.366) 9.471 4.619 ( 2.629 1.613 2.958) 4.273 4.739 ( 2.053 -2.303 2.257) 3.823 5.008 ( 1.216 0.900 -3.353) 3.678 5.152 ( 6.814 -3.156 2.664) 7.968 5.376 ( -2.031 2.486 12.387) 12.796 5.611 ( -2.689 -0.303 -5.184) 5.848 5.988 ( 10.499 3.332 -6.000) 12.543 6.177 ( 7.508 0.897 -5.012) 9.072 6.416 ( 6.973 2.779 -0.263) 7.511 6.526 ( 4.348 1.326 2.976) 5.433 6.680 ( 4.581 0.552 -3.641) 5.878 6.924 ( 8.060 3.219 5.014) 10.023 7.126 ( -0.522 3.995 -6.383) 7.548 7.278 ( 0.493 4.362 -3.946) 5.902 7.477 ( -2.592 2.461 -3.588) 5.065 7.532 ( 3.009 -5.365 -0.100) 6.152 7.834 ( 5.351 -2.268 2.132) 6.190 8.059 ( 13.229 4.373 16.916) 21.915 8.340 ( -0.413 11.917 -5.827) 13.272 8.619 ( -0.244 0.769 -10.353) 10.384 8.701 ( 4.108 1.712 7.872) 9.043 9.019 ( 5.746 -2.064 -8.304) 10.307 9.179 ( 1.348 7.744 -1.847) 8.074 9.461 ( 2.791 -10.462 -1.509) 10.933 10.034 ( 5.005 7.071 -0.543) 8.681 10.199 ( -17.707 1.920 0.705) 17.824 10.334 ( 3.812 0.361 6.570) 7.604 10.562 ( 0.840 1.278 3.501) 3.820 10.971 ( -2.997 -2.466 -1.047) 4.020 11.200 ( -14.004 3.070 2.258) 14.513 11.907 ( 16.094 8.741 -5.202) 19.039 12.127 ( 9.936 0.690 3.014) 10.406 12.745 ( -6.946 -0.236 4.554) 8.309 12.965 ( -3.022 -6.456 -2.534) 7.565 14.195 ( 8.197 2.067 3.564) 9.174 14.244 ( 3.904 0.952 0.217) 4.024 14.291 ( 1.434 -2.747 -0.935) 3.237 14.384 ( 3.818 1.458 -0.490) 4.116 14.861 ( 1.858 -3.501 -0.874) 4.058 14.948 ( 2.484 -5.788 0.994) 6.376 15.328 ( -18.619 -7.612 -14.975) 25.077 15.532 ( -16.083 -8.217 7.606) 19.597 16.464 ( 7.776 2.468 0.700) 8.188 16.902 ( -2.828 5.023 -4.927) 7.583 19.473 ( 3.130 0.061 1.402) 3.430 19.849 ( -1.061 5.395 4.599) 7.169 ======================= Grid point 212 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 6.030 -4.855 -4.770) 9.093 1.379 ( 5.862 -2.775 5.968) 8.813 1.668 ( 7.487 -10.563 6.102) 14.313 1.728 ( 9.901 -11.999 -7.571) 17.301 1.947 ( -4.291 -0.146 -5.039) 6.621 2.117 ( -3.892 -0.706 2.432) 4.643 2.270 ( -3.365 2.935 -2.263) 5.006 2.359 ( -6.486 2.888 0.315) 7.107 2.397 ( -2.905 3.615 0.958) 4.735 2.462 ( -1.447 4.045 -1.132) 4.442 2.561 ( -5.925 -0.047 1.864) 6.211 2.658 ( -5.405 3.872 0.395) 6.660 2.828 ( 5.390 -7.753 5.418) 10.886 2.930 ( -0.199 -4.343 0.109) 4.349 2.962 ( -0.820 -7.121 -4.104) 8.260 3.011 ( 2.354 2.571 3.397) 4.867 3.153 ( 4.045 -6.790 4.042) 8.877 3.291 ( 1.835 5.340 1.352) 5.806 3.327 ( 7.095 -5.676 -8.037) 12.131 3.435 ( 0.572 6.167 -4.153) 7.457 3.655 ( 0.035 -2.804 -0.690) 2.888 3.780 ( 3.527 1.776 2.220) 4.530 3.918 ( 1.125 2.295 0.906) 2.712 4.097 ( -1.102 1.553 -0.611) 1.999 4.449 ( 0.426 3.752 -0.804) 3.860 4.595 ( 5.468 1.472 -0.594) 5.694 4.745 ( 7.481 -1.171 0.261) 7.576 4.861 ( 6.301 -2.269 10.568) 12.511 4.980 ( 0.630 3.035 -5.860) 6.629 5.301 ( 7.228 0.607 3.969) 8.268 5.356 ( -0.484 -1.135 8.858) 8.943 5.510 ( -5.584 0.991 -4.693) 7.361 6.155 ( 10.462 3.396 -9.060) 14.250 6.295 ( 7.940 1.950 -1.406) 8.296 6.477 ( 2.594 5.044 3.754) 6.802 6.646 ( 11.457 -3.495 -1.681) 12.095 6.795 ( 5.806 -3.357 -4.367) 8.003 6.993 ( 4.157 5.753 4.895) 8.622 7.109 ( 1.047 3.171 -6.684) 7.471 7.226 ( 2.300 0.972 -0.383) 2.526 7.435 ( 1.529 3.873 -6.088) 7.376 7.662 ( 4.986 -3.720 5.160) 8.082 7.959 ( 2.045 -5.386 7.112) 9.153 8.247 ( 4.664 11.787 5.840) 13.956 8.262 ( 11.222 7.642 4.858) 14.419 8.516 ( -3.478 8.893 -13.672) 16.677 8.665 ( -6.239 2.895 2.246) 7.235 9.042 ( -4.143 8.594 3.803) 10.271 9.168 ( 6.050 -6.362 -1.820) 8.966 9.578 ( -6.851 -7.744 -4.958) 11.467 9.858 ( -9.316 -5.986 -14.170) 17.983 10.171 ( 8.628 7.577 6.442) 13.167 10.354 ( -3.859 -4.451 13.685) 14.899 10.611 ( 9.587 6.783 -4.057) 12.425 10.882 ( -10.155 -1.633 -1.924) 10.463 11.104 ( 3.727 0.437 3.515) 5.141 12.076 ( 14.364 10.509 -7.339) 19.251 12.284 ( 8.425 0.341 2.590) 8.820 12.659 ( -4.296 -1.010 8.562) 9.632 12.971 ( -3.940 -8.427 -3.612) 9.979 14.279 ( 1.255 -1.038 0.684) 1.767 14.294 ( 4.462 1.885 1.399) 5.042 14.368 ( 4.371 -1.660 1.283) 4.849 14.435 ( 4.079 2.354 -1.776) 5.033 14.903 ( 0.176 -2.208 -2.313) 3.202 15.007 ( -1.165 -4.619 -0.021) 4.764 15.162 ( -7.802 -7.002 -9.093) 13.877 15.369 ( -11.840 -6.936 6.671) 15.257 16.548 ( 4.806 3.076 2.137) 6.094 16.785 ( -4.277 3.953 -2.723) 6.429 19.544 ( 4.546 0.363 -1.199) 4.715 19.777 ( -2.408 3.988 2.909) 5.493 ======================= Grid point 213 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 9.162 -4.693 2.202) 10.527 1.470 ( 3.420 0.618 2.062) 4.041 1.717 ( -4.897 -4.173 -3.852) 7.499 1.880 ( -6.350 3.233 -3.975) 8.160 1.975 ( 7.378 -8.704 1.251) 11.479 2.159 ( 5.510 -6.979 0.917) 8.939 2.200 ( -4.063 0.697 -1.201) 4.294 2.234 ( -2.732 0.684 1.799) 3.342 2.340 ( -0.658 2.836 -0.752) 3.007 2.404 ( -2.420 2.752 1.003) 3.799 2.468 ( -4.014 1.353 0.731) 4.299 2.532 ( -4.047 5.523 -0.364) 6.857 2.918 ( -0.227 -3.288 0.145) 3.299 2.952 ( 1.420 -0.364 4.077) 4.332 2.983 ( -2.223 -4.332 -6.115) 7.817 3.032 ( 1.026 -0.045 2.808) 2.990 3.220 ( -3.215 -2.178 0.018) 3.883 3.304 ( 4.169 2.635 4.961) 6.995 3.399 ( 1.448 -2.857 -1.080) 3.380 3.495 ( 6.087 2.250 -7.539) 9.947 3.690 ( 0.766 -2.777 0.440) 2.914 3.840 ( 2.162 -3.915 1.579) 4.743 3.920 ( 2.612 4.800 0.028) 5.465 4.058 ( -1.747 1.200 -0.581) 2.198 4.416 ( -1.179 1.509 1.927) 2.717 4.641 ( 1.386 0.852 -1.862) 2.473 4.857 ( 3.000 -1.430 0.652) 3.386 4.919 ( 1.267 0.255 -0.644) 1.444 5.044 ( 6.923 2.085 4.372) 8.449 5.365 ( 0.977 0.989 -1.203) 1.839 5.383 ( 1.161 -1.269 4.276) 4.609 5.453 ( -0.400 -0.899 -0.581) 1.143 6.245 ( 5.794 4.570 -8.991) 11.632 6.336 ( -1.629 1.991 2.792) 3.797 6.539 ( 5.903 -1.839 4.022) 7.376 6.849 ( 4.595 0.233 -2.676) 5.322 6.929 ( 8.515 -3.805 -4.149) 10.208 7.035 ( 7.614 1.826 0.941) 7.886 7.105 ( 2.098 1.220 -2.583) 3.544 7.314 ( 6.569 1.767 1.138) 6.897 7.438 ( 3.030 3.378 -6.875) 8.237 7.731 ( -2.009 -2.139 9.520) 9.962 7.979 ( -3.533 -4.277 10.451) 11.832 8.226 ( -0.055 9.637 1.995) 9.842 8.287 ( -7.598 5.079 -6.705) 11.335 8.364 ( 7.808 10.710 -4.194) 13.902 8.609 ( 2.988 1.588 -0.119) 3.386 8.874 ( -14.464 -2.438 1.545) 14.749 9.283 ( 1.737 -4.573 8.459) 9.772 9.471 ( 0.427 2.508 -8.959) 9.313 9.891 ( 0.927 -6.558 -15.749) 17.085 10.123 ( -9.513 -3.298 11.580) 15.345 10.441 ( 11.397 6.097 5.989) 14.245 10.691 ( 3.800 5.452 -5.536) 8.649 10.763 ( -4.807 -4.041 0.909) 6.345 11.187 ( 4.058 -0.586 2.369) 4.735 12.194 ( 10.529 9.574 -7.368) 16.025 12.387 ( 0.537 -4.602 2.505) 5.267 12.645 ( 2.385 2.382 8.858) 9.478 12.964 ( -4.462 -7.026 -3.756) 9.131 14.306 ( 0.578 -1.445 -0.089) 1.559 14.329 ( 1.260 0.657 0.931) 1.698 14.445 ( 3.805 1.264 2.290) 4.617 14.473 ( 2.365 1.101 -2.460) 3.586 14.909 ( -0.827 -1.719 -3.005) 3.559 15.004 ( -2.506 -3.314 -0.343) 4.169 15.127 ( -1.408 -1.899 -3.002) 3.821 15.265 ( -7.008 -4.801 4.279) 9.511 16.580 ( 1.885 2.612 2.113) 3.852 16.708 ( -1.539 1.464 -2.127) 3.006 19.608 ( 3.533 0.225 -1.947) 4.040 19.712 ( -2.352 2.149 2.316) 3.939 ======================= Grid point 214 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.000 0.000 0.000) 0.000 1.593 ( 0.000 -0.000 0.000) 0.000 1.647 ( -0.000 0.000 -0.000) 0.000 1.767 ( -0.000 0.000 -0.000) 0.000 2.102 ( 0.000 -0.000 0.000) 0.000 2.104 ( -0.000 0.000 -0.000) 0.000 2.286 ( -0.000 0.000 0.000) 0.000 2.287 ( 0.000 -0.000 -0.000) 0.000 2.299 ( 0.000 -0.000 0.000) 0.000 2.351 ( -0.000 0.000 0.000) 0.000 2.408 ( -0.000 -0.000 0.000) 0.000 2.457 ( -0.000 0.000 -0.000) 0.000 2.925 ( -0.000 0.000 0.000) 0.000 2.957 ( -0.000 -0.000 -0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.045 ( -0.000 0.000 0.000) 0.000 3.184 ( -0.000 -0.000 0.000) 0.000 3.334 ( -0.000 0.000 0.000) 0.000 3.436 ( -0.000 0.000 0.000) 0.000 3.524 ( -0.000 0.000 0.000) 0.000 3.713 ( -0.000 0.000 0.000) 0.000 3.886 ( -0.000 0.000 0.000) 0.000 3.926 ( -0.000 -0.000 0.000) 0.000 4.030 ( -0.000 0.000 0.000) 0.000 4.397 ( -0.000 0.000 0.000) 0.000 4.645 ( -0.000 0.000 0.000) 0.000 4.891 ( -0.000 0.000 0.000) 0.000 4.924 ( -0.000 -0.000 0.000) 0.000 5.102 ( -0.000 0.000 0.000) 0.000 5.372 ( -0.000 0.000 -0.000) 0.000 5.396 ( -0.000 -0.000 0.000) 0.000 5.462 ( -0.000 -0.000 0.000) 0.000 6.273 ( -0.000 0.000 0.000) 0.000 6.297 ( -0.000 0.000 0.000) 0.000 6.611 ( -0.000 0.000 0.000) 0.000 6.868 ( -0.000 -0.000 0.000) 0.000 7.002 ( -0.000 0.000 0.000) 0.000 7.101 ( -0.000 0.000 0.000) 0.000 7.209 ( -0.000 0.000 0.000) 0.000 7.391 ( -0.000 0.000 0.000) 0.000 7.420 ( -0.000 0.000 -0.000) 0.000 7.675 ( -0.000 0.000 -0.000) 0.000 8.008 ( -0.000 -0.000 0.000) 0.000 8.116 ( -0.000 0.000 0.000) 0.000 8.170 ( -0.000 0.000 0.000) 0.000 8.446 ( -0.000 0.000 0.000) 0.000 8.639 ( -0.000 0.000 0.000) 0.000 8.705 ( -0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.480 ( -0.000 0.000 -0.000) 0.000 9.909 ( -0.000 0.000 0.000) 0.000 10.055 ( -0.000 0.000 0.000) 0.000 10.542 ( -0.000 -0.000 0.000) 0.000 10.652 ( -0.000 -0.000 0.000) 0.000 10.767 ( -0.000 0.000 -0.000) 0.000 11.228 ( -0.000 0.000 0.000) 0.000 12.241 ( -0.000 -0.000 0.000) 0.000 12.404 ( -0.000 0.000 -0.000) 0.000 12.673 ( -0.000 0.000 0.000) 0.000 12.949 ( -0.000 -0.000 -0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.336 ( -0.000 -0.000 0.000) 0.000 14.472 ( -0.000 -0.000 -0.000) 0.000 14.489 ( -0.000 0.000 0.000) 0.000 14.908 ( -0.000 0.000 0.000) 0.000 14.995 ( -0.000 0.000 -0.000) 0.000 15.123 ( -0.000 0.000 0.000) 0.000 15.227 ( -0.000 0.000 -0.000) 0.000 16.583 ( -0.000 0.000 -0.000) 0.000 16.692 ( -0.000 0.000 0.000) 0.000 19.654 ( 0.000 -0.000 -0.000) 0.000 19.667 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 221 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.497 -0.000 -9.724) 9.737 1.163 ( 10.505 -0.000 12.669) 16.458 1.281 ( 11.703 -0.000 10.997) 16.059 1.306 ( 12.753 -0.000 -18.423) 22.406 2.087 ( -8.097 0.000 -3.643) 8.879 2.107 ( 2.693 -0.000 1.175) 2.938 2.386 ( 2.436 -0.000 12.812) 13.041 2.452 ( 10.462 -0.000 -20.652) 23.151 2.523 ( 3.562 -0.000 9.878) 10.501 2.583 ( -6.928 0.000 2.438) 7.344 2.588 ( -3.671 0.000 11.896) 12.450 2.598 ( -0.545 0.000 -5.743) 5.769 2.731 ( -0.816 0.000 -7.013) 7.061 2.750 ( -1.432 0.000 1.925) 2.399 2.910 ( -0.259 0.000 0.239) 0.353 3.002 ( -2.190 0.000 -6.986) 7.322 3.022 ( 0.708 -0.000 4.433) 4.490 3.203 ( -0.727 0.000 -2.097) 2.219 3.345 ( -1.745 0.000 5.441) 5.714 3.540 ( -0.234 0.000 -2.544) 2.555 3.673 ( -1.335 0.000 -4.198) 4.405 3.767 ( 3.393 -0.000 0.636) 3.452 3.937 ( -1.496 0.000 1.522) 2.134 4.122 ( 1.483 -0.000 -0.406) 1.538 4.436 ( 11.628 -0.000 -0.811) 11.656 4.564 ( 10.312 -0.000 5.002) 11.461 4.635 ( 0.517 -0.000 0.619) 0.806 4.717 ( -1.092 0.000 2.755) 2.963 5.023 ( -1.323 0.000 -3.285) 3.542 5.101 ( 10.646 -0.000 3.361) 11.164 5.411 ( -2.811 0.000 15.044) 15.305 5.605 ( -1.316 0.000 -6.532) 6.663 6.025 ( 9.562 -0.000 -3.757) 10.273 6.175 ( 8.344 -0.000 -9.348) 12.530 6.455 ( 5.103 -0.000 -1.044) 5.209 6.499 ( 5.655 -0.000 7.228) 9.178 6.731 ( 1.069 -0.000 -7.855) 7.927 6.942 ( 9.068 -0.000 5.552) 10.633 7.160 ( -2.299 0.000 -5.186) 5.673 7.365 ( 2.375 -0.000 -6.392) 6.819 7.403 ( -0.045 0.000 3.406) 3.406 7.514 ( -2.795 0.000 -9.102) 9.522 7.822 ( 3.639 -0.000 1.511) 3.940 8.109 ( 16.458 -0.000 25.793) 30.596 8.439 ( -6.767 0.000 -4.763) 8.275 8.642 ( 13.310 -0.000 -18.832) 23.061 8.717 ( 3.243 -0.000 11.044) 11.510 9.035 ( 0.069 -0.000 -12.948) 12.948 9.170 ( 12.286 -0.000 -15.170) 19.521 9.391 ( -5.702 0.000 14.457) 15.541 10.087 ( -15.169 0.000 -8.669) 17.471 10.221 ( -1.815 0.000 9.728) 9.896 10.394 ( 4.521 -0.000 -4.641) 6.479 10.539 ( -0.523 0.000 13.440) 13.450 10.939 ( -5.650 0.000 -0.539) 5.676 11.230 ( -13.068 0.000 2.294) 13.268 12.003 ( 16.871 -0.000 -1.710) 16.958 12.130 ( 9.809 -0.000 4.256) 10.693 12.755 ( -6.463 0.000 3.266) 7.241 12.894 ( -4.492 0.000 -3.103) 5.459 14.218 ( 8.631 -0.000 1.415) 8.746 14.250 ( 3.021 -0.000 2.326) 3.813 14.274 ( 0.485 -0.000 -0.139) 0.505 14.399 ( 5.039 -0.000 -0.585) 5.073 14.845 ( 4.775 -0.000 -2.995) 5.636 14.871 ( 3.032 -0.000 3.226) 4.427 15.238 ( -20.168 0.000 -22.737) 30.393 15.458 ( -13.648 0.000 10.876) 17.451 16.486 ( 7.687 -0.000 -0.205) 7.690 16.947 ( -3.843 0.000 -4.624) 6.013 19.474 ( 3.213 -0.000 1.471) 3.534 19.902 ( -2.567 0.000 6.210) 6.719 ======================= Grid point 222 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 5.157 -2.956 -3.236) 6.768 1.354 ( 9.543 -0.303 6.736) 11.685 1.521 ( 10.723 -4.826 -3.392) 12.239 1.546 ( 12.694 -6.738 0.129) 14.372 1.949 ( -5.583 0.111 -5.402) 7.769 2.108 ( -3.350 -0.296 0.343) 3.381 2.316 ( -4.388 1.754 -1.223) 4.882 2.404 ( -9.550 1.570 -2.236) 9.933 2.460 ( -3.423 2.863 -2.382) 5.058 2.504 ( -4.728 0.639 3.684) 6.028 2.581 ( -2.224 1.845 -1.162) 3.115 2.696 ( 1.460 -1.878 13.429) 13.638 2.728 ( 2.241 -0.742 5.262) 5.767 2.834 ( 6.080 -3.730 -7.908) 10.650 2.913 ( -0.763 1.909 -5.071) 5.472 3.016 ( 3.341 -7.894 -1.434) 8.691 3.070 ( 4.145 1.875 6.267) 7.744 3.248 ( 4.245 -2.625 -4.370) 6.634 3.346 ( 1.845 1.075 1.161) 2.430 3.507 ( -1.252 1.923 -4.043) 4.649 3.642 ( -0.792 0.686 -2.441) 2.657 3.822 ( 3.881 1.852 0.187) 4.304 3.941 ( 1.437 0.360 3.522) 3.821 4.123 ( -0.728 0.970 -0.244) 1.237 4.509 ( -3.944 2.454 0.052) 4.645 4.616 ( 6.808 0.596 -1.544) 7.007 4.729 ( 4.027 -0.635 0.775) 4.150 4.828 ( 9.346 -1.116 10.209) 13.886 5.030 ( 4.080 2.251 -4.940) 6.791 5.263 ( 5.353 -2.770 3.226) 6.836 5.376 ( -0.675 1.537 12.227) 12.341 5.527 ( -5.080 0.560 -5.303) 7.365 6.191 ( 7.866 1.123 -2.985) 8.488 6.321 ( 8.874 0.776 -4.355) 9.916 6.542 ( -0.456 1.933 -1.560) 2.525 6.591 ( 10.306 -2.153 -1.497) 10.634 6.758 ( 4.380 -0.894 -3.329) 5.573 7.057 ( 3.217 1.182 6.595) 7.433 7.178 ( 5.090 3.209 -5.854) 8.395 7.264 ( -0.433 4.828 -6.557) 8.154 7.425 ( -1.163 -6.065 0.292) 6.182 7.611 ( 6.884 -0.353 -2.319) 7.272 7.895 ( 2.462 -1.843 4.859) 5.750 8.322 ( -3.934 0.480 2.157) 4.512 8.389 ( 13.054 5.187 19.409) 23.959 8.700 ( -2.793 3.589 5.956) 7.494 8.793 ( 6.914 13.162 -18.230) 23.524 9.044 ( 2.348 -5.589 -7.594) 9.717 9.142 ( -13.418 2.373 1.211) 13.680 9.419 ( 4.246 -8.975 -7.692) 12.560 9.769 ( -15.413 -2.592 -11.111) 19.176 10.149 ( -11.154 -3.839 14.233) 18.486 10.488 ( 11.737 12.817 6.149) 18.435 10.650 ( 10.055 -3.666 -2.365) 10.960 10.862 ( -5.827 -0.517 -4.429) 7.338 11.095 ( -2.510 -0.916 6.710) 7.222 12.236 ( 8.348 4.381 3.058) 9.912 12.271 ( 9.886 0.812 -1.082) 9.978 12.684 ( -0.054 2.944 4.742) 5.582 12.835 ( -4.784 -6.220 -2.923) 8.373 14.258 ( -0.091 -0.627 -0.753) 0.984 14.276 ( 0.151 -1.411 1.897) 2.369 14.398 ( 10.129 1.963 2.341) 10.579 14.493 ( 6.673 2.551 -3.024) 7.758 14.880 ( -1.068 -0.250 -5.293) 5.405 14.929 ( -0.373 -2.936 1.885) 3.509 15.037 ( -3.021 -5.342 -13.769) 15.074 15.277 ( -10.684 -3.083 9.920) 14.902 16.585 ( 4.511 1.114 0.951) 4.743 16.833 ( -6.845 1.404 -1.558) 7.159 19.549 ( 4.710 0.178 -1.525) 4.954 19.831 ( -4.404 1.772 3.958) 6.181 ======================= Grid point 223 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 9.745 -4.396 3.637) 11.292 1.473 ( 2.718 -0.503 2.593) 3.790 1.642 ( 0.632 -3.833 -5.649) 6.856 1.812 ( 8.469 -7.016 3.064) 11.417 1.933 ( 0.019 1.439 -6.570) 6.725 2.049 ( 0.946 -4.980 0.064) 5.069 2.219 ( -7.135 1.170 -2.065) 7.520 2.257 ( -3.108 1.214 2.572) 4.213 2.399 ( -0.462 3.392 0.150) 3.427 2.424 ( -4.067 0.643 2.738) 4.945 2.518 ( -2.058 3.137 -0.703) 3.817 2.635 ( -3.150 5.330 0.757) 6.237 2.817 ( -0.270 -7.130 5.406) 8.952 2.883 ( -0.548 -2.528 -1.402) 2.942 2.923 ( 1.093 -1.713 -6.428) 6.742 3.089 ( 1.962 2.851 2.462) 4.247 3.139 ( 0.231 -4.644 4.599) 6.540 3.333 ( 2.037 -2.914 -2.521) 4.358 3.384 ( 2.740 0.885 -2.809) 4.023 3.507 ( 3.948 -0.155 -3.887) 5.542 3.647 ( 1.557 -0.852 -1.029) 2.051 3.857 ( 2.885 4.112 2.048) 5.425 3.979 ( 3.357 1.543 2.111) 4.256 4.089 ( -1.449 1.873 -0.571) 2.436 4.439 ( -2.475 0.996 2.564) 3.700 4.659 ( 0.965 0.973 -3.233) 3.511 4.836 ( 5.129 -0.853 -0.866) 5.271 4.922 ( 1.876 0.089 4.736) 5.095 5.102 ( 5.802 4.193 1.207) 7.259 5.322 ( -0.513 -3.470 2.316) 4.203 5.406 ( 3.103 0.499 5.486) 6.323 5.450 ( -2.013 1.217 -4.019) 4.657 6.249 ( -0.570 -1.136 2.485) 2.791 6.428 ( 3.825 4.949 -11.652) 13.225 6.497 ( 0.514 -2.150 6.765) 7.117 6.821 ( 9.259 -2.515 -2.639) 9.951 6.850 ( 4.212 -4.105 -3.660) 6.927 7.101 ( 4.714 1.776 1.412) 5.232 7.147 ( 2.198 7.045 -3.626) 8.222 7.349 ( 7.606 1.754 1.503) 7.949 7.473 ( 2.713 -2.010 -7.925) 8.615 7.665 ( -2.638 -3.588 8.584) 9.670 7.911 ( -3.609 -1.834 3.780) 5.539 8.296 ( -1.177 -1.015 -2.257) 2.740 8.402 ( -7.368 9.701 7.994) 14.570 8.607 ( 1.369 9.200 -3.679) 10.002 8.718 ( -2.116 7.936 1.569) 8.362 8.839 ( -12.438 3.297 -0.583) 12.881 9.159 ( 1.899 -7.992 4.860) 9.545 9.519 ( 4.657 2.668 -6.198) 8.199 9.734 ( 3.217 -11.896 -23.955) 26.939 9.972 ( -15.662 -9.843 16.454) 24.757 10.610 ( 11.427 9.611 6.016) 16.097 10.718 ( -9.053 1.745 -2.523) 9.558 10.801 ( 7.931 4.437 -6.763) 11.328 11.163 ( 5.377 -2.986 6.662) 9.067 12.212 ( -8.376 -4.762 7.190) 12.022 12.441 ( 12.709 8.266 -4.902) 15.933 12.674 ( -1.313 0.757 -3.238) 3.575 12.867 ( 3.533 -3.858 5.303) 7.449 14.265 ( -0.538 -1.846 1.262) 2.300 14.291 ( -0.564 -2.787 0.158) 2.848 14.527 ( 7.458 5.237 0.048) 9.114 14.558 ( 6.234 6.156 -3.814) 9.555 14.840 ( -3.144 -4.910 -9.624) 11.252 14.953 ( 0.549 -1.555 5.391) 5.637 15.080 ( 1.174 -2.952 -3.383) 4.640 15.174 ( -5.663 -5.456 5.567) 9.634 16.622 ( 1.059 1.958 1.712) 2.808 16.721 ( -4.622 0.141 -1.486) 4.857 19.613 ( 3.194 0.249 -2.243) 3.911 19.746 ( -4.015 1.570 2.802) 5.142 ======================= Grid point 224 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -1.984 -2.702 -1.438) 3.647 1.564 ( 8.999 -4.208 5.662) 11.434 1.659 ( -1.823 2.013 -2.098) 3.431 1.765 ( -4.037 -0.183 -1.960) 4.492 2.058 ( 7.265 -3.856 1.063) 8.293 2.108 ( -2.343 -0.241 -1.040) 2.575 2.214 ( 4.815 -4.780 -0.127) 6.786 2.257 ( 3.839 -1.268 1.857) 4.449 2.362 ( -2.768 0.368 2.069) 3.476 2.368 ( -0.008 4.588 -0.098) 4.589 2.449 ( -2.644 4.293 -0.209) 5.046 2.525 ( -3.028 5.631 -1.277) 6.519 2.848 ( -3.550 -7.442 -0.179) 8.248 2.904 ( 0.429 -2.953 -2.114) 3.657 2.963 ( 1.708 -4.696 -3.314) 5.996 3.078 ( 0.240 4.097 3.000) 5.084 3.137 ( -3.196 -2.949 1.109) 4.488 3.381 ( 2.390 -0.248 -1.595) 2.884 3.403 ( 0.562 0.707 2.936) 3.072 3.585 ( 3.374 0.055 -5.948) 6.838 3.691 ( 2.042 -0.553 -0.595) 2.198 3.850 ( -0.269 2.490 2.517) 3.550 4.011 ( 2.365 4.345 1.710) 5.234 4.054 ( 0.165 2.310 -0.153) 2.321 4.404 ( -1.187 0.724 3.024) 3.328 4.649 ( -0.780 0.407 -3.442) 3.553 4.894 ( 1.806 0.328 -1.318) 2.260 4.935 ( 0.116 1.056 1.676) 1.985 5.114 ( -1.451 1.602 0.788) 2.300 5.335 ( -1.676 -3.085 -0.313) 3.524 5.426 ( -0.075 0.645 -1.139) 1.311 5.458 ( 3.184 1.108 2.294) 4.078 6.201 ( -7.128 -3.056 7.828) 11.019 6.390 ( 0.754 4.553 -10.676) 11.631 6.568 ( 0.500 -3.655 2.712) 4.579 6.864 ( -2.035 -1.260 -2.250) 3.285 6.935 ( -0.770 -4.691 3.756) 6.059 7.132 ( 0.362 1.588 -2.748) 3.194 7.224 ( 5.805 2.877 -1.035) 6.561 7.392 ( -5.144 1.300 5.208) 7.435 7.460 ( -2.643 1.933 -0.309) 3.289 7.683 ( 4.069 -1.599 -4.047) 5.958 7.862 ( -3.969 -6.493 3.871) 8.538 8.162 ( -9.943 1.255 2.862) 10.423 8.228 ( -4.099 2.855 -10.606) 11.723 8.465 ( -10.990 0.778 3.417) 11.535 8.699 ( 2.697 5.453 1.361) 6.233 8.756 ( 9.353 7.882 -1.141) 12.285 9.265 ( 1.709 -6.171 6.533) 9.148 9.497 ( -5.627 1.752 -1.138) 6.003 9.845 ( 1.419 -6.405 4.055) 7.712 9.966 ( 3.966 -10.891 -10.337) 15.530 10.526 ( -10.554 1.278 -3.939) 11.337 10.670 ( -1.183 0.473 3.582) 3.802 10.868 ( 8.705 9.800 -3.669) 13.612 11.255 ( 2.800 2.135 3.426) 4.913 12.105 ( -11.593 -9.502 11.026) 18.609 12.503 ( -2.258 0.916 -4.043) 4.721 12.646 ( 3.553 3.407 -11.239) 12.270 12.988 ( 8.005 2.704 9.285) 12.554 14.268 ( -1.986 -3.252 0.919) 3.920 14.304 ( -0.765 -2.360 -0.011) 2.481 14.546 ( 2.071 5.215 -5.597) 7.926 14.588 ( 3.983 9.566 1.132) 10.424 14.855 ( 0.646 -4.406 -5.221) 6.862 14.983 ( 0.967 -1.396 4.665) 4.964 15.096 ( -0.648 -3.198 4.656) 5.686 15.214 ( 5.007 -1.630 -3.402) 6.270 16.589 ( -2.781 0.750 0.093) 2.882 16.678 ( -1.751 -1.396 0.202) 2.249 19.650 ( 1.389 -0.226 -1.969) 2.420 19.674 ( -3.489 0.637 2.040) 4.092 ======================= Grid point 225 (97/117) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -3.833 -1.668 -2.857) 5.063 1.502 ( -6.473 3.022 -0.514) 7.162 1.769 ( 8.047 0.383 4.596) 9.276 1.810 ( 5.425 -2.599 2.386) 6.472 2.083 ( 0.086 1.861 -1.646) 2.486 2.187 ( 4.176 -0.334 1.965) 4.627 2.253 ( -4.471 4.682 -3.169) 7.208 2.296 ( -1.027 4.089 1.480) 4.468 2.314 ( 0.707 1.681 3.279) 3.752 2.332 ( -0.208 -3.391 -3.312) 4.745 2.432 ( 4.383 -3.302 0.673) 5.529 2.498 ( 3.980 1.699 -0.287) 4.337 2.859 ( -1.971 -7.148 -3.322) 8.125 2.944 ( 1.728 -2.335 -3.258) 4.365 3.030 ( -1.790 2.274 1.954) 3.492 3.050 ( 2.793 -3.071 2.038) 4.625 3.126 ( -1.781 -5.016 -0.792) 5.381 3.375 ( 0.265 5.556 1.649) 5.802 3.428 ( 0.005 -2.414 0.464) 2.458 3.554 ( -1.828 10.677 -3.660) 11.434 3.703 ( -0.943 -0.981 -0.019) 1.360 3.839 ( -1.128 -3.143 0.719) 3.416 3.961 ( -1.918 7.857 2.540) 8.477 4.061 ( 2.069 1.751 0.359) 2.734 4.395 ( -0.290 -0.691 0.263) 0.794 4.627 ( -1.765 -0.910 -0.739) 2.119 4.885 ( -1.185 1.803 -1.949) 2.908 4.920 ( -1.759 0.652 3.361) 3.849 5.025 ( -7.790 -0.255 -5.360) 9.459 5.323 ( -2.862 -3.016 -0.842) 4.243 5.420 ( 0.412 1.154 0.208) 1.243 5.478 ( 0.797 2.642 0.150) 2.763 6.115 ( -8.628 -7.299 10.582) 15.482 6.353 ( -1.598 1.288 -8.765) 9.002 6.542 ( -6.912 -1.307 0.937) 7.096 6.818 ( -3.947 -2.439 1.225) 4.799 6.951 ( -2.375 -3.238 3.081) 5.061 7.031 ( -15.943 2.194 2.277) 16.254 7.105 ( -4.376 1.787 1.934) 5.107 7.269 ( -7.163 -3.151 1.883) 8.048 7.443 ( -1.065 3.641 1.686) 4.151 7.738 ( 0.407 -0.474 -10.665) 10.683 7.888 ( -5.483 -12.659 -0.762) 13.817 8.137 ( 2.186 -6.748 1.879) 7.338 8.192 ( 4.727 3.202 -10.841) 12.252 8.308 ( -7.017 -0.528 1.537) 7.203 8.639 ( -0.727 4.498 5.479) 7.126 8.906 ( 5.038 1.607 3.522) 6.354 9.299 ( -2.919 -2.976 -3.480) 5.431 9.430 ( 3.907 -1.285 2.744) 4.944 9.940 ( 1.835 -3.339 13.929) 14.441 10.110 ( 3.079 -0.999 -8.180) 8.797 10.372 ( -3.810 -3.459 -8.342) 9.802 10.595 ( -8.673 -3.994 -0.456) 9.559 10.903 ( 5.617 10.243 -2.494) 11.946 11.216 ( -4.107 3.349 3.186) 6.183 12.016 ( -10.437 -9.652 11.997) 18.602 12.378 ( -12.744 -6.750 -5.734) 15.519 12.694 ( 7.992 8.520 -11.381) 16.309 13.083 ( 6.208 5.835 8.874) 12.301 14.255 ( -3.591 -4.457 -1.137) 5.835 14.302 ( -1.586 -1.478 1.022) 2.396 14.515 ( 0.780 6.285 -2.596) 6.844 14.537 ( -0.699 6.934 -0.401) 6.981 14.907 ( 2.150 -1.125 0.709) 2.528 15.021 ( 1.648 -1.698 -0.694) 2.466 15.149 ( 4.771 0.615 6.172) 7.825 15.335 ( 9.959 2.749 -4.607) 11.312 16.536 ( -4.010 -2.221 -1.774) 4.915 16.670 ( -1.310 -2.748 2.101) 3.699 19.606 ( -3.982 -0.008 1.732) 4.342 19.677 ( 0.639 -1.725 -1.917) 2.656 ======================= Grid point 226 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -6.232 3.711 1.674) 7.444 1.438 ( -0.608 3.170 -2.172) 3.890 1.840 ( 0.356 7.340 -0.484) 7.365 1.878 ( -3.120 3.318 6.771) 8.160 1.994 ( 0.260 6.965 -2.033) 7.260 2.148 ( -0.182 3.194 -2.745) 4.215 2.221 ( 2.220 -2.727 1.387) 3.780 2.324 ( 4.470 -0.864 2.594) 5.240 2.344 ( 2.389 -2.382 -0.603) 3.427 2.381 ( 0.055 -4.441 -1.668) 4.744 2.564 ( 7.524 -1.503 -1.297) 7.782 2.601 ( 7.829 -0.945 1.590) 8.045 2.895 ( -0.190 -5.290 -3.821) 6.529 2.956 ( -1.881 6.600 0.268) 6.868 2.994 ( 1.231 -2.543 -3.422) 4.437 3.101 ( 2.181 3.971 4.071) 6.091 3.156 ( -3.097 -8.419 -3.000) 9.459 3.320 ( 0.045 7.799 -1.222) 7.894 3.365 ( -8.183 4.336 6.569) 11.354 3.407 ( -2.787 4.546 -2.146) 5.748 3.689 ( -1.116 -0.222 -0.734) 1.354 3.803 ( -5.636 2.787 1.754) 6.527 3.887 ( 0.714 1.177 0.459) 1.451 4.083 ( 1.297 0.212 0.408) 1.376 4.390 ( -2.487 -2.814 0.313) 3.768 4.574 ( -6.391 -1.005 -0.054) 6.470 4.775 ( -9.525 2.402 0.124) 9.824 4.891 ( -5.882 0.715 -10.067) 11.682 4.925 ( 1.899 -2.953 5.893) 6.860 5.257 ( -8.272 -3.709 -2.564) 9.421 5.403 ( -0.332 3.729 -6.610) 7.597 5.507 ( 5.920 0.777 4.225) 7.315 6.046 ( -10.387 -9.018 13.449) 19.238 6.264 ( -8.872 -1.795 -3.964) 9.881 6.398 ( -9.147 -3.019 -3.001) 10.089 6.701 ( -12.453 2.599 1.009) 12.761 6.836 ( -3.187 -1.239 3.851) 5.150 6.907 ( -5.548 -1.812 1.403) 6.003 7.059 ( -3.195 -2.690 3.066) 5.181 7.197 ( -3.481 -2.761 -1.921) 4.841 7.383 ( -2.378 -0.238 1.484) 2.814 7.679 ( -6.857 -1.754 -2.719) 7.582 7.938 ( -3.244 -16.601 1.020) 16.946 8.097 ( -4.505 5.657 -10.805) 13.002 8.137 ( -11.553 -5.435 -0.986) 12.805 8.430 ( 11.415 -4.398 -3.792) 12.807 8.668 ( 6.962 3.521 7.279) 10.670 8.874 ( -7.938 -9.522 1.599) 12.499 9.215 ( -9.016 -1.778 -0.817) 9.226 9.683 ( 19.701 3.594 -0.839) 20.043 9.924 ( -5.083 2.423 5.689) 8.005 10.060 ( -3.821 -3.133 7.783) 9.219 10.403 ( -7.901 -7.071 -7.110) 12.766 10.528 ( 4.550 2.989 -6.597) 8.553 10.915 ( 6.001 1.867 -3.585) 7.235 11.101 ( -6.487 1.761 5.753) 8.848 11.918 ( -11.638 -7.395 8.528) 16.212 12.221 ( -11.209 -6.304 -4.392) 13.590 12.737 ( 6.699 7.390 -9.621) 13.858 13.111 ( 3.065 7.151 6.686) 10.258 14.220 ( -5.164 -4.662 -2.886) 7.532 14.275 ( -2.999 -0.965 1.704) 3.581 14.457 ( -1.927 4.804 1.402) 5.363 14.461 ( -0.713 6.757 -2.414) 7.211 14.939 ( 1.617 1.666 3.580) 4.267 15.055 ( 1.374 0.320 -3.966) 4.210 15.257 ( 9.805 4.191 7.646) 13.121 15.494 ( 14.101 6.295 -5.117) 16.268 16.483 ( -5.609 -4.115 -2.871) 7.525 16.699 ( 0.387 -5.631 3.490) 6.636 19.538 ( -4.351 -0.269 0.882) 4.448 19.705 ( 0.042 -3.885 -1.781) 4.274 ======================= Grid point 227 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -3.893 4.800 3.516) 7.110 1.371 ( -1.780 8.124 0.058) 8.317 1.617 ( -8.205 14.287 -11.481) 20.081 1.676 ( -10.173 13.383 11.747) 20.508 2.063 ( 6.332 1.250 1.661) 6.665 2.183 ( 3.635 0.508 -3.454) 5.040 2.312 ( 4.677 -2.571 3.665) 6.474 2.385 ( 1.086 -4.803 -0.503) 4.950 2.410 ( 1.580 -0.889 -0.757) 1.964 2.474 ( 6.226 -6.479 -2.800) 9.412 2.634 ( -1.616 4.705 4.174) 6.494 2.725 ( 1.570 0.832 0.103) 1.780 2.818 ( -1.049 9.016 -7.235) 11.607 2.936 ( 0.954 -2.574 -5.602) 6.238 2.991 ( -2.822 6.515 0.489) 7.117 3.079 ( 4.210 1.505 -0.289) 4.480 3.136 ( -3.153 7.719 8.777) 12.106 3.199 ( -2.256 -2.410 5.257) 6.207 3.293 ( -0.612 2.294 -5.755) 6.226 3.387 ( 0.436 -6.366 0.024) 6.381 3.667 ( -2.327 -1.072 -0.167) 2.568 3.689 ( -4.671 1.565 -0.928) 5.013 3.906 ( 1.001 -1.045 1.840) 2.341 4.095 ( -0.247 -0.588 0.186) 0.664 4.333 ( -8.094 -2.702 5.033) 9.907 4.481 ( -5.893 -4.036 -4.150) 8.260 4.602 ( -7.424 -0.180 -3.223) 8.095 4.775 ( -4.563 1.551 -3.857) 6.173 4.974 ( -4.656 -3.481 5.061) 7.708 5.163 ( -2.547 -1.778 -1.113) 3.300 5.368 ( 0.601 1.595 -9.864) 10.010 5.619 ( 4.552 0.985 4.490) 6.469 5.920 ( -10.859 -5.007 8.598) 14.728 6.132 ( -7.770 -3.767 0.583) 8.654 6.322 ( -5.709 -7.977 0.179) 9.811 6.491 ( -9.386 0.435 -0.299) 9.401 6.754 ( -5.789 5.251 1.192) 7.907 6.834 ( -6.754 -5.396 -3.473) 9.316 7.029 ( -3.872 -6.249 5.911) 9.433 7.207 ( -1.550 -4.178 1.129) 4.597 7.390 ( -1.653 -5.781 -2.926) 6.687 7.588 ( -2.114 0.561 1.083) 2.440 7.879 ( -12.712 -1.291 8.064) 15.110 8.016 ( -2.888 1.490 -12.076) 12.505 8.087 ( 1.962 -13.617 -1.271) 13.817 8.594 ( 2.611 -3.856 -4.699) 6.616 8.683 ( -4.986 -0.750 1.313) 5.210 8.971 ( 6.999 -11.522 -0.633) 13.496 9.048 ( -11.301 -1.269 4.519) 12.237 9.647 ( -8.256 8.201 5.012) 12.670 9.909 ( -7.556 -3.695 -0.264) 8.416 10.203 ( 13.058 -0.124 1.236) 13.117 10.303 ( -2.089 -3.828 0.620) 4.405 10.539 ( -0.037 0.015 -9.018) 9.019 10.994 ( -3.823 0.448 4.422) 5.862 11.140 ( 17.177 -3.335 -1.258) 17.543 11.765 ( -14.022 -6.723 4.589) 16.213 12.100 ( -7.699 -2.117 -1.557) 8.135 12.785 ( 6.287 4.335 -6.568) 10.072 13.084 ( 0.562 6.579 3.936) 7.688 14.153 ( -6.072 -2.784 -4.195) 7.888 14.221 ( -4.697 -1.263 2.022) 5.267 14.379 ( -1.593 6.075 -1.775) 6.527 14.386 ( -2.382 3.530 2.415) 4.895 14.937 ( 0.921 4.313 2.236) 4.945 15.040 ( -0.672 4.121 -2.659) 4.950 15.435 ( 15.194 4.614 8.413) 17.970 15.701 ( 19.032 8.982 -5.888) 21.854 16.404 ( -7.898 -4.267 -2.486) 9.315 16.780 ( 0.329 -8.491 5.406) 10.071 19.472 ( -2.975 -0.056 -1.176) 3.199 19.740 ( -1.425 -6.409 -1.936) 6.845 ======================= Grid point 228 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.824 6.414 -8.596) 10.757 1.240 ( -5.604 7.743 11.606) 15.035 1.365 ( -3.588 16.233 -16.936) 23.732 1.390 ( -8.882 15.150 17.466) 24.769 2.127 ( 3.530 4.553 1.938) 6.078 2.224 ( 2.454 1.486 1.682) 3.325 2.318 ( -4.438 8.522 -15.609) 18.329 2.386 ( -9.025 7.175 9.999) 15.261 2.426 ( -0.091 -3.779 2.409) 4.483 2.490 ( -1.466 -1.546 -3.725) 4.291 2.615 ( 6.967 -4.623 1.663) 8.525 2.713 ( 4.759 -1.688 -1.941) 5.410 2.839 ( 3.121 4.896 -1.102) 5.909 2.894 ( -1.373 6.133 2.340) 6.706 2.974 ( 1.912 -0.727 -4.477) 4.922 3.043 ( -3.455 0.737 5.151) 6.246 3.119 ( 4.898 5.436 -2.734) 7.811 3.235 ( 2.733 -1.659 2.535) 4.080 3.370 ( 5.929 -3.206 -1.637) 6.936 3.442 ( -0.495 -5.480 -0.980) 5.589 3.624 ( -3.518 -3.755 -1.886) 5.480 3.633 ( -2.896 -1.916 2.000) 4.007 3.952 ( 2.732 -2.772 2.647) 4.707 4.092 ( 0.236 0.397 0.028) 0.463 4.234 ( -5.146 -1.177 5.219) 7.423 4.324 ( -11.640 -0.878 -6.418) 13.321 4.598 ( 0.153 -3.959 -0.111) 3.963 4.690 ( -6.191 -1.053 -2.676) 6.826 4.904 ( -1.039 -3.331 0.601) 3.541 5.150 ( -2.743 1.833 6.262) 7.078 5.377 ( 1.297 -0.679 -6.959) 7.111 5.527 ( -11.048 0.421 -1.912) 11.220 5.941 ( 6.139 -3.269 7.194) 10.007 6.070 ( -3.346 -3.089 -0.974) 4.657 6.314 ( -0.624 -2.228 0.941) 2.497 6.411 ( -3.166 -4.952 1.573) 6.084 6.624 ( -3.722 0.865 1.497) 4.104 6.756 ( -7.120 -4.811 -5.750) 10.339 7.023 ( -6.005 -9.372 6.613) 12.947 7.192 ( -7.885 -6.294 1.532) 10.205 7.330 ( -4.760 -2.510 -4.840) 7.237 7.530 ( -6.815 0.694 2.764) 7.387 7.905 ( 14.014 0.243 2.055) 14.166 8.015 ( 8.894 2.115 -7.132) 11.594 8.249 ( 2.073 -11.824 3.805) 12.593 8.502 ( -14.910 -3.077 -9.826) 18.120 8.613 ( -3.708 -0.845 3.868) 5.425 8.853 ( -15.792 -3.204 4.139) 16.637 9.191 ( 10.106 0.439 7.852) 12.805 9.481 ( -3.612 5.331 -5.185) 8.267 9.841 ( -2.166 -9.145 -4.957) 10.625 10.134 ( -12.737 -9.443 2.278) 16.019 10.502 ( 8.879 3.180 6.143) 11.255 10.546 ( 0.262 -1.119 -1.859) 2.185 11.052 ( 10.772 -4.734 -10.362) 15.678 11.468 ( 12.203 -5.016 8.341) 15.609 11.590 ( -9.031 -2.991 0.313) 9.519 11.969 ( -8.753 1.000 -1.350) 8.912 12.870 ( 6.924 1.199 -3.029) 7.652 13.032 ( -1.394 3.989 1.750) 4.573 14.069 ( -4.001 -0.102 -4.340) 5.904 14.136 ( -6.455 -0.454 2.430) 6.912 14.309 ( -0.584 4.044 0.924) 4.189 14.331 ( -2.021 0.877 -0.046) 2.204 14.903 ( 0.887 6.842 -0.397) 6.910 14.962 ( -2.246 6.924 -0.007) 7.279 15.704 ( 18.288 2.086 6.102) 19.392 15.978 ( 22.937 10.176 -8.553) 26.511 16.290 ( -7.479 -3.529 1.506) 8.405 16.800 ( -9.932 -7.416 9.244) 15.463 19.471 ( 3.979 -0.991 -4.151) 5.835 19.744 ( -6.038 -7.744 -2.130) 10.048 ======================= Grid point 229 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 6.213 5.621 -20.438) 22.088 1.082 ( -6.213 5.621 20.438) 22.088 1.190 ( 1.767 13.725 -21.985) 25.977 1.190 ( -1.767 13.725 21.985) 25.977 2.102 ( -3.197 11.077 -31.665) 33.699 2.102 ( 3.197 11.077 31.665) 33.699 2.258 ( -1.071 0.929 -1.495) 2.060 2.258 ( 1.071 0.929 1.495) 2.060 2.495 ( -0.969 -5.309 -2.595) 5.988 2.495 ( 0.969 -5.309 2.595) 5.988 2.749 ( -2.065 -0.719 -4.269) 4.796 2.749 ( 2.065 -0.719 4.269) 4.796 2.829 ( 0.428 3.682 -4.096) 5.524 2.829 ( -0.428 3.682 4.096) 5.524 3.000 ( 1.040 0.774 -4.053) 4.256 3.000 ( -1.040 0.774 4.053) 4.256 3.219 ( -0.902 0.025 -1.031) 1.370 3.219 ( 0.902 0.025 1.031) 1.370 3.457 ( 0.641 -2.300 -1.721) 2.943 3.457 ( -0.641 -2.300 1.721) 2.943 3.634 ( 0.132 -4.637 -2.841) 5.440 3.634 ( -0.132 -4.637 2.841) 5.440 4.066 ( -5.448 -2.154 -3.382) 6.765 4.066 ( 5.448 -2.154 3.382) 6.765 4.190 ( -1.443 0.981 -5.974) 6.224 4.190 ( 1.443 0.981 5.974) 6.224 4.621 ( -1.180 -2.040 -1.611) 2.855 4.621 ( 1.180 -2.040 1.611) 2.855 5.027 ( 9.484 -0.608 -4.729) 10.615 5.027 ( -9.484 -0.608 4.729) 10.615 5.398 ( -1.244 0.607 -2.419) 2.787 5.398 ( 1.244 0.607 2.419) 2.787 6.066 ( -2.161 -4.702 -4.120) 6.614 6.066 ( 2.161 -4.702 4.120) 6.614 6.362 ( -0.660 0.917 -6.151) 6.253 6.362 ( 0.660 0.917 6.151) 6.253 6.679 ( -5.024 -4.950 -8.234) 10.841 6.679 ( 5.024 -4.950 8.234) 10.841 7.071 ( -0.696 -6.290 -9.867) 11.723 7.071 ( 0.696 -6.290 9.867) 11.723 7.391 ( -4.162 0.428 -10.752) 11.538 7.391 ( 4.162 0.428 10.752) 11.538 8.155 ( -12.371 0.951 -13.007) 17.976 8.155 ( 12.371 0.951 13.007) 17.976 8.313 ( -1.962 -6.234 -1.663) 6.744 8.313 ( 1.962 -6.234 1.663) 6.744 8.612 ( -6.484 1.807 -6.922) 9.655 8.612 ( 6.484 1.807 6.922) 9.655 9.332 ( -8.789 4.489 -12.670) 16.061 9.332 ( 8.789 4.489 12.670) 16.061 10.039 ( -2.531 -14.698 -3.673) 15.361 10.039 ( 2.531 -14.698 3.673) 15.361 10.545 ( -0.478 1.956 -7.730) 7.988 10.545 ( 0.478 1.956 7.730) 7.988 11.353 ( 8.764 -6.095 -14.780) 18.232 11.353 ( -8.764 -6.095 14.780) 18.232 11.770 ( -12.629 1.200 -2.732) 12.977 11.770 ( 12.629 1.200 2.732) 12.977 12.967 ( -1.356 0.738 -0.511) 1.627 12.967 ( 1.356 0.738 0.511) 1.627 14.047 ( 2.755 0.262 -2.723) 3.882 14.047 ( -2.755 0.262 2.723) 3.882 14.300 ( -0.576 -0.102 -1.668) 1.768 14.300 ( 0.576 -0.102 1.668) 1.768 14.859 ( 1.106 7.660 -2.448) 8.118 14.859 ( -1.106 7.660 2.448) 8.118 15.978 ( -10.097 2.315 -6.536) 12.248 15.978 ( 10.097 2.315 6.536) 12.248 16.515 ( -25.938 -0.210 3.440) 26.166 16.515 ( 25.938 -0.210 -3.440) 26.166 19.642 ( -12.178 -4.795 0.802) 13.113 19.642 ( 12.178 -4.795 -0.802) 13.113 ======================= Grid point 233 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.191 -0.000 4.885) 11.301 1.464 ( 0.669 -0.000 3.083) 3.155 1.604 ( 4.935 -0.000 -9.706) 10.888 1.748 ( 11.486 -0.000 5.438) 12.708 1.950 ( 6.812 -0.000 -6.370) 9.327 1.998 ( -8.479 0.000 -0.960) 8.533 2.231 ( -9.277 0.000 -2.586) 9.631 2.268 ( -2.178 0.000 2.390) 3.234 2.432 ( -3.788 0.000 3.168) 4.938 2.434 ( -0.337 0.000 0.183) 0.383 2.551 ( -2.705 0.000 -0.674) 2.787 2.679 ( -2.410 0.000 2.525) 3.491 2.751 ( -0.279 0.000 6.049) 6.056 2.862 ( 0.007 -0.000 -2.439) 2.439 2.936 ( -0.068 0.000 -4.167) 4.168 3.045 ( 4.505 -0.000 -1.673) 4.805 3.139 ( 1.295 -0.000 4.398) 4.584 3.291 ( 3.124 -0.000 -3.379) 4.602 3.387 ( 1.654 -0.000 -3.573) 3.938 3.508 ( 1.232 -0.000 1.001) 1.587 3.647 ( 1.756 -0.000 -2.174) 2.795 3.908 ( 4.703 -0.000 -1.558) 4.954 3.984 ( 2.992 -0.000 4.778) 5.637 4.108 ( -1.262 0.000 -0.085) 1.265 4.448 ( -3.041 0.000 2.550) 3.969 4.668 ( 0.510 -0.000 -3.474) 3.511 4.829 ( 6.256 -0.000 -1.978) 6.561 4.923 ( 2.201 -0.000 7.374) 7.695 5.157 ( 6.354 -0.000 -0.807) 6.405 5.274 ( -1.451 0.000 2.731) 3.093 5.407 ( 1.336 -0.000 7.270) 7.392 5.468 ( -0.796 0.000 -4.920) 4.984 6.238 ( -1.550 0.000 3.886) 4.184 6.461 ( 6.309 -0.000 1.055) 6.397 6.488 ( -3.953 0.000 -8.463) 9.341 6.789 ( 11.057 -0.000 -0.771) 11.084 6.816 ( 3.007 -0.000 -5.149) 5.963 7.108 ( 2.784 -0.000 0.800) 2.896 7.297 ( 4.054 -0.000 6.620) 7.763 7.315 ( 4.346 -0.000 -15.188) 15.798 7.418 ( 5.656 -0.000 5.251) 7.718 7.639 ( -4.819 0.000 2.329) 5.353 7.902 ( -0.734 0.000 0.139) 0.747 8.283 ( -1.460 0.000 -0.827) 1.678 8.516 ( -7.241 0.000 9.204) 11.711 8.689 ( 7.253 -0.000 2.805) 7.777 8.707 ( -27.884 0.000 8.868) 29.260 8.979 ( -3.696 0.000 -5.966) 7.018 9.094 ( 9.522 -0.000 1.145) 9.591 9.522 ( 14.586 -0.000 -17.314) 22.639 9.584 ( -5.040 0.000 -18.632) 19.301 9.881 ( -17.908 0.000 17.579) 25.094 10.676 ( 1.872 -0.000 6.232) 6.507 10.759 ( -6.863 0.000 -6.660) 9.563 10.875 ( 15.672 -0.000 -6.216) 16.859 11.108 ( 5.259 -0.000 11.007) 12.199 12.164 ( -10.372 0.000 6.068) 12.017 12.513 ( 7.826 -0.000 0.155) 7.828 12.700 ( -3.061 0.000 -5.038) 5.895 12.822 ( 10.306 -0.000 4.846) 11.388 14.256 ( -1.412 0.000 3.422) 3.701 14.258 ( 0.652 -0.000 -3.300) 3.364 14.592 ( 10.886 -0.000 2.204) 11.106 14.605 ( 3.925 -0.000 -8.199) 9.090 14.795 ( -1.469 0.000 -9.971) 10.079 14.946 ( 1.007 -0.000 9.559) 9.612 15.055 ( 5.315 -0.000 -9.073) 10.516 15.104 ( -9.312 0.000 9.454) 13.270 16.641 ( 1.433 -0.000 1.177) 1.854 16.721 ( -6.466 0.000 -0.863) 6.524 19.616 ( 3.067 -0.000 -2.389) 3.888 19.761 ( -4.730 0.000 3.033) 5.618 ======================= Grid point 234 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -2.859 -1.318 -2.071) 3.769 1.489 ( 9.178 -2.957 7.085) 11.966 1.691 ( 4.069 1.081 -2.512) 4.902 1.759 ( -7.289 -0.377 -3.092) 7.927 2.001 ( 7.184 -1.796 2.518) 7.822 2.101 ( 4.469 -0.346 -3.833) 5.898 2.139 ( 2.494 -2.804 1.684) 4.113 2.255 ( 1.036 0.281 1.414) 1.775 2.378 ( -2.627 1.054 1.862) 3.388 2.435 ( 0.925 2.331 0.900) 2.664 2.502 ( -1.715 1.461 -0.326) 2.277 2.610 ( -4.488 2.749 -0.840) 5.329 2.742 ( -3.003 -3.305 3.611) 5.743 2.855 ( -0.817 -1.688 -2.478) 3.107 2.923 ( -0.077 -0.146 -3.805) 3.808 3.085 ( -2.055 -2.502 0.788) 3.332 3.145 ( 1.545 2.770 0.295) 3.185 3.345 ( 2.256 -2.185 -4.806) 5.741 3.397 ( -0.229 -1.632 -1.839) 2.469 3.552 ( 2.310 -1.131 5.202) 5.803 3.698 ( 4.595 0.614 -2.901) 5.469 3.940 ( 1.012 4.577 -1.252) 4.852 4.051 ( 3.849 0.451 3.234) 5.048 4.092 ( 0.547 1.431 0.965) 1.811 4.416 ( -1.319 0.411 4.163) 4.387 4.655 ( -1.461 0.234 -5.285) 5.488 4.901 ( 2.735 0.373 -3.223) 4.243 4.948 ( 0.537 0.285 4.734) 4.773 5.165 ( -2.328 4.060 -0.089) 4.681 5.262 ( -2.751 -4.893 -0.959) 5.694 5.422 ( -0.129 -0.143 4.830) 4.834 5.494 ( 3.937 1.536 -1.488) 4.481 6.175 ( -6.631 -0.278 7.256) 9.834 6.407 ( -4.808 -1.508 -6.374) 8.125 6.536 ( 2.293 0.065 -2.741) 3.574 6.827 ( -2.349 -1.561 -5.233) 5.945 6.891 ( 0.144 -0.937 8.492) 8.544 7.138 ( -0.121 -0.202 -3.592) 3.599 7.317 ( 4.910 6.854 -1.870) 8.636 7.429 ( -7.999 -2.840 0.004) 8.488 7.450 ( -1.912 1.909 6.229) 6.790 7.578 ( 4.779 -6.637 3.008) 8.714 7.859 ( -2.522 2.175 -9.129) 9.718 8.189 ( -10.691 1.065 -4.007) 11.467 8.241 ( -16.659 0.268 2.920) 16.915 8.442 ( -5.314 -2.296 1.855) 6.079 8.810 ( 4.241 7.076 3.613) 9.006 8.896 ( 1.094 1.210 3.564) 3.919 9.237 ( 8.086 7.163 4.321) 11.635 9.516 ( -6.775 -2.449 -9.341) 11.796 9.645 ( -11.559 -12.609 11.599) 20.667 9.814 ( 17.261 -3.845 -17.127) 24.618 10.584 ( -9.887 4.174 -2.454) 11.009 10.651 ( -6.541 -2.601 0.715) 7.075 11.046 ( 9.934 8.040 -5.936) 14.091 11.268 ( 7.937 -0.885 9.775) 12.622 11.975 ( -13.405 -4.432 9.409) 16.966 12.440 ( -12.115 -3.260 -4.757) 13.418 12.772 ( 9.750 5.773 -3.092) 11.745 13.011 ( 10.176 0.045 5.195) 11.426 14.231 ( -2.251 -0.973 1.901) 3.103 14.275 ( 0.986 -0.764 -3.261) 3.491 14.603 ( -0.416 0.798 -10.271) 10.310 14.747 ( 7.146 6.022 2.433) 9.656 14.819 ( 4.065 1.747 -3.166) 5.441 14.955 ( -2.937 -2.112 5.057) 6.218 15.024 ( 0.572 -3.601 10.511) 11.125 15.174 ( 8.129 -2.197 -7.728) 11.429 16.607 ( -5.210 1.144 -0.445) 5.353 16.650 ( -2.108 -1.525 0.896) 2.752 19.648 ( 1.051 -0.055 -2.235) 2.470 19.683 ( -4.468 0.309 2.349) 5.057 ======================= Grid point 235 (104/117) ======================= q-point: (-0.60 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.662 -1.467 -3.538) 3.887 1.522 ( -7.043 -0.795 1.880) 7.332 1.736 ( 8.700 -0.935 2.411) 9.076 1.809 ( 6.053 -0.314 1.941) 6.365 2.065 ( 0.703 -2.410 -2.447) 3.505 2.184 ( 5.568 0.074 5.636) 7.923 2.254 ( 3.663 -1.857 -1.990) 4.563 2.310 ( 1.278 0.549 0.938) 1.678 2.334 ( -0.580 0.048 -0.685) 0.899 2.402 ( -0.288 3.829 -0.999) 3.967 2.455 ( -1.994 6.246 1.681) 6.768 2.529 ( 1.304 1.310 -0.839) 2.030 2.730 ( -2.560 -6.667 1.126) 7.230 2.868 ( -0.788 -4.841 -3.265) 5.892 2.945 ( 0.885 -3.646 -3.761) 5.312 3.065 ( -2.104 -2.318 1.059) 3.305 3.131 ( 1.150 5.254 0.194) 5.381 3.386 ( 0.451 -2.140 -2.617) 3.411 3.419 ( 0.908 -1.725 0.535) 2.021 3.601 ( 1.047 -2.319 1.726) 3.074 3.762 ( 3.879 3.559 -1.295) 5.421 3.865 ( -2.775 6.684 -2.007) 7.510 4.075 ( 0.944 4.694 2.865) 5.580 4.105 ( 1.646 2.420 2.300) 3.723 4.395 ( -1.118 0.629 3.490) 3.718 4.608 ( -3.512 -1.081 -3.796) 5.284 4.914 ( -0.163 0.989 -5.137) 5.234 4.939 ( -1.496 1.212 3.763) 4.227 5.043 ( -8.281 2.867 -2.935) 9.242 5.244 ( -5.236 -6.031 -2.256) 8.299 5.435 ( 2.395 0.983 4.617) 5.293 5.529 ( 1.589 2.307 0.464) 2.840 6.036 ( -10.864 -1.411 8.287) 13.737 6.331 ( -6.795 -3.972 -8.757) 11.774 6.525 ( -4.286 0.018 0.499) 4.315 6.764 ( -6.025 -3.422 -1.366) 7.063 6.890 ( -1.563 -2.060 11.556) 11.842 7.071 ( -9.979 1.458 -4.225) 10.935 7.150 ( -13.102 2.488 4.811) 14.177 7.243 ( -8.157 0.796 3.640) 8.968 7.481 ( 0.169 -1.458 -1.882) 2.387 7.695 ( -1.757 -5.514 0.206) 5.791 7.750 ( -7.984 0.306 -11.294) 13.834 8.063 ( 1.193 -1.401 -0.549) 1.920 8.169 ( 1.353 -4.731 -5.328) 7.252 8.354 ( -4.382 3.864 -5.868) 8.280 8.730 ( -2.329 4.498 7.063) 8.691 8.942 ( -4.708 1.743 15.179) 15.987 9.234 ( -3.769 -0.403 -6.863) 7.840 9.443 ( 7.747 1.836 -4.295) 9.046 9.755 ( 2.856 -15.610 11.178) 19.411 10.093 ( 10.272 -1.574 -11.790) 15.716 10.372 ( -7.361 3.711 -2.348) 8.571 10.536 ( -8.910 -3.601 -0.981) 9.660 11.066 ( 0.147 6.892 -7.937) 10.512 11.314 ( -0.409 7.576 10.464) 12.925 11.856 ( -8.166 -8.592 10.510) 15.842 12.245 ( -14.207 -6.587 -6.151) 16.824 12.853 ( 7.292 7.904 -5.114) 11.908 13.155 ( 6.969 2.321 5.834) 9.380 14.198 ( -3.355 -2.051 -0.764) 4.006 14.289 ( 0.262 0.111 -1.776) 1.799 14.586 ( 0.162 0.967 -7.520) 7.584 14.680 ( -3.422 8.432 4.302) 10.065 14.905 ( 5.367 1.239 2.432) 6.021 14.970 ( 1.222 -3.324 -1.065) 3.698 15.145 ( 8.613 -0.787 9.044) 12.514 15.350 ( 11.605 -0.863 -7.769) 13.992 16.508 ( -6.160 -0.982 -1.204) 6.353 16.621 ( -3.283 -2.477 1.753) 4.471 19.608 ( -4.398 0.112 1.680) 4.710 19.654 ( -0.509 -0.890 -1.745) 2.024 ======================= Grid point 236 (105/117) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -2.829 2.847 -1.179) 4.183 1.468 ( 1.109 -0.026 0.865) 1.407 1.881 ( 5.406 -0.351 2.561) 5.992 1.924 ( 7.048 1.840 4.166) 8.391 2.110 ( 2.070 -0.497 -3.775) 4.334 2.175 ( -5.453 4.691 -3.520) 8.008 2.228 ( -2.758 2.594 3.196) 4.955 2.279 ( -1.649 -2.455 -2.694) 4.000 2.341 ( 2.322 -0.517 1.731) 2.942 2.372 ( 1.057 5.042 2.750) 5.840 2.514 ( 8.897 -2.876 -0.582) 9.368 2.610 ( 7.204 0.084 1.657) 7.393 2.789 ( 2.024 -6.520 -1.378) 6.965 2.897 ( -1.791 -7.092 -3.834) 8.258 2.990 ( -1.057 -5.522 -2.221) 6.045 3.063 ( 0.541 -0.084 -0.132) 0.563 3.114 ( 1.952 2.761 0.985) 3.522 3.381 ( -2.900 -0.859 0.889) 3.153 3.433 ( 0.723 3.912 0.999) 4.102 3.605 ( -1.584 4.611 -7.921) 9.301 3.696 ( -1.973 8.273 4.892) 9.811 3.812 ( -0.883 0.835 1.081) 1.626 3.995 ( -2.924 7.988 2.012) 8.741 4.106 ( 0.742 1.967 1.273) 2.458 4.358 ( -3.785 -0.507 0.376) 3.837 4.547 ( -6.707 -2.424 -0.820) 7.178 4.824 ( -11.728 2.774 -2.300) 12.269 4.889 ( -2.398 -0.148 5.162) 5.694 4.900 ( -1.992 0.202 -7.714) 7.970 5.169 ( -9.721 -6.403 -0.888) 11.674 5.482 ( 1.174 4.755 -3.566) 6.058 5.534 ( 6.065 2.103 4.420) 7.793 5.882 ( -12.259 -8.031 11.082) 18.374 6.206 ( -11.860 -5.237 -10.064) 16.412 6.384 ( -10.524 0.993 5.258) 11.807 6.704 ( -6.894 -3.154 -0.742) 7.617 6.796 ( -11.052 -0.416 2.224) 11.281 6.907 ( -5.248 0.160 8.633) 10.104 7.020 ( -1.554 -1.711 -0.465) 2.358 7.146 ( -4.558 -2.219 -1.115) 5.191 7.426 ( -5.945 3.408 -2.840) 7.418 7.627 ( -7.420 -3.402 -1.081) 8.234 7.662 ( -6.961 -12.672 -2.028) 14.600 8.048 ( -6.755 -3.826 0.578) 7.785 8.226 ( -3.528 6.902 -12.537) 14.740 8.342 ( 10.431 -5.042 -8.576) 14.414 8.712 ( -4.192 -3.271 6.001) 8.018 8.778 ( -5.014 2.114 15.603) 16.525 9.126 ( -11.384 -6.197 -6.188) 14.363 9.707 ( 18.180 -0.750 -0.387) 18.199 9.961 ( -0.016 -5.847 4.421) 7.330 10.002 ( -1.902 3.031 4.290) 5.586 10.282 ( -11.559 -4.085 -6.012) 13.655 10.572 ( 10.637 0.706 -2.474) 10.943 10.936 ( -5.892 0.797 -8.915) 10.716 11.198 ( -5.372 8.298 10.729) 14.589 11.798 ( -9.391 -6.747 4.631) 12.456 12.109 ( -6.563 -5.346 -2.956) 8.966 12.879 ( 4.637 7.629 -5.998) 10.756 13.213 ( 2.801 4.459 5.172) 7.381 14.153 ( -4.071 -2.764 -3.003) 5.764 14.271 ( -2.033 0.787 0.547) 2.248 14.550 ( -2.890 4.543 -0.842) 5.450 14.574 ( -0.498 5.104 0.482) 5.151 14.969 ( 3.627 1.910 3.922) 5.673 15.033 ( 3.484 -1.530 -3.859) 5.420 15.317 ( 11.351 2.729 8.990) 14.735 15.562 ( 14.364 1.198 -7.952) 16.461 16.415 ( -6.860 -3.294 -2.092) 7.892 16.599 ( -3.290 -5.448 2.876) 6.984 19.535 ( -4.246 -0.087 0.757) 4.314 19.649 ( -1.600 -2.486 -1.134) 3.167 ======================= Grid point 237 (106/117) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.981 6.374 2.049) 6.767 1.488 ( 1.346 4.665 0.568) 4.889 1.840 ( -4.970 10.486 1.867) 11.754 1.890 ( -5.692 11.130 -0.507) 12.512 2.094 ( 5.283 1.650 -0.040) 5.535 2.181 ( 1.932 0.489 -1.739) 2.645 2.257 ( 6.468 -4.932 1.255) 8.230 2.308 ( -0.187 -5.939 -2.537) 6.461 2.360 ( 1.193 -1.095 0.047) 1.620 2.414 ( 5.278 -0.673 1.454) 5.516 2.697 ( 8.349 -0.320 1.276) 8.452 2.720 ( 4.337 0.664 1.501) 4.637 2.870 ( 1.167 -2.473 -0.227) 2.744 2.929 ( -1.731 -8.862 -2.145) 9.281 2.962 ( -3.385 1.761 -6.114) 7.207 3.082 ( 1.192 -1.016 -2.393) 2.860 3.167 ( 3.950 -0.648 5.056) 6.449 3.291 ( -5.810 4.489 8.894) 11.532 3.370 ( -0.203 8.080 -3.183) 8.686 3.444 ( -3.302 12.725 -9.631) 16.297 3.638 ( -4.187 -0.005 1.343) 4.397 3.749 ( -3.700 3.409 3.277) 6.005 3.921 ( 0.197 3.127 1.415) 3.437 4.095 ( -0.380 0.766 -0.502) 0.992 4.289 ( -5.934 -2.437 4.108) 7.618 4.418 ( -7.914 -2.961 -3.626) 9.195 4.600 ( -12.156 -0.431 -5.745) 13.452 4.803 ( -5.095 2.132 -2.699) 6.147 4.893 ( -6.886 -5.082 8.435) 12.016 5.102 ( -0.629 -4.960 0.161) 5.002 5.422 ( -0.487 4.551 -10.101) 11.090 5.649 ( 2.844 1.726 5.631) 6.541 5.792 ( -6.195 -8.881 10.678) 15.207 6.047 ( -9.591 -6.543 -5.725) 12.945 6.225 ( -7.172 -1.315 3.051) 7.904 6.520 ( -10.966 1.876 0.362) 11.131 6.697 ( -8.183 -6.086 -1.269) 10.277 6.843 ( -4.819 -1.313 6.805) 8.441 6.961 ( -6.575 0.603 -1.841) 6.855 7.140 ( -1.541 -2.687 -0.353) 3.118 7.300 ( -6.636 -4.411 -6.782) 10.464 7.570 ( -0.039 -1.998 2.887) 3.511 7.704 ( -4.768 -14.977 7.017) 17.213 7.941 ( -6.103 -3.009 0.815) 6.853 8.119 ( 0.494 6.720 -13.422) 15.018 8.503 ( 2.738 -5.631 -8.636) 10.667 8.567 ( -13.731 -10.690 -0.055) 17.402 8.908 ( 12.374 0.427 9.211) 15.432 8.956 ( -13.607 -6.027 -0.169) 14.883 9.717 ( -13.060 0.458 -0.954) 13.102 9.926 ( 2.477 3.238 14.281) 14.851 10.106 ( -10.995 -7.912 -7.912) 15.688 10.300 ( 22.347 2.015 0.379) 22.441 10.545 ( -7.944 0.626 -5.050) 9.434 11.008 ( -7.380 0.846 1.283) 7.538 11.087 ( 14.493 -2.632 2.600) 14.958 11.672 ( -10.005 -3.779 -0.495) 10.706 12.072 ( -2.559 -0.632 0.651) 2.715 12.882 ( 3.871 5.923 -5.113) 8.729 13.187 ( -1.061 5.239 3.469) 6.373 14.104 ( -3.926 -2.495 -4.140) 6.228 14.209 ( -4.674 0.083 2.639) 5.368 14.463 ( -1.690 5.460 0.065) 5.716 14.514 ( -1.004 6.949 0.366) 7.031 15.004 ( 2.926 3.534 2.693) 5.321 15.084 ( 2.184 1.402 -3.781) 4.586 15.504 ( 13.179 3.459 10.087) 16.953 15.804 ( 17.117 2.449 -9.181) 19.577 16.324 ( -7.872 -4.534 -2.791) 9.503 16.618 ( -2.806 -9.496 4.904) 11.050 19.472 ( -2.874 -0.000 -0.841) 2.994 19.642 ( -2.874 -4.550 -0.393) 5.395 ======================= Grid point 238 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 1.915 8.811 -1.608) 9.159 1.393 ( -5.035 9.092 4.605) 11.367 1.641 ( -3.934 14.867 -0.860) 15.403 1.664 ( -6.064 15.239 1.138) 16.440 2.170 ( 5.104 0.998 0.482) 5.223 2.227 ( 2.127 -1.387 -2.213) 3.368 2.340 ( 0.704 -2.683 -1.274) 3.053 2.386 ( 0.274 -2.252 0.285) 2.286 2.459 ( 9.108 -3.127 2.393) 9.923 2.552 ( 6.547 -0.642 -6.023) 8.919 2.637 ( -5.606 12.160 9.442) 16.384 2.724 ( -3.631 5.077 -3.923) 7.372 2.889 ( -1.165 -3.338 -0.283) 3.546 2.919 ( 0.614 -1.146 -4.851) 5.022 2.966 ( 1.475 -2.329 2.153) 3.498 3.077 ( -1.481 3.365 0.036) 3.677 3.203 ( 0.859 0.930 7.078) 7.190 3.232 ( 1.641 6.475 -2.714) 7.210 3.320 ( 0.860 -0.709 -4.699) 4.829 3.376 ( 3.293 0.276 0.044) 3.305 3.563 ( -3.902 -1.758 -0.997) 4.395 3.655 ( -4.487 2.950 -0.082) 5.370 3.920 ( 1.738 -0.393 4.105) 4.475 4.097 ( 0.628 0.282 -0.992) 1.207 4.217 ( -3.660 -0.991 6.037) 7.129 4.304 ( -10.219 -1.298 -8.030) 13.061 4.502 ( -1.104 -7.197 -3.281) 7.986 4.659 ( -10.487 -2.536 -0.094) 10.790 4.855 ( 1.387 -1.443 3.819) 4.312 5.137 ( -4.232 -2.851 7.394) 8.984 5.389 ( 0.910 1.782 -7.497) 7.759 5.518 ( -11.069 -1.920 -2.651) 11.543 5.899 ( 6.400 -1.609 8.818) 11.014 6.001 ( -2.485 -4.418 -3.661) 6.252 6.228 ( 3.703 -6.747 3.236) 8.349 6.369 ( -4.190 0.844 1.954) 4.699 6.589 ( -10.161 -7.054 -1.864) 12.509 6.716 ( -9.151 1.388 -0.149) 9.257 6.887 ( -4.074 -5.145 0.737) 6.604 7.061 ( -11.734 -7.220 -2.942) 14.088 7.288 ( 2.595 -2.284 -1.556) 3.792 7.536 ( -8.292 -0.850 6.068) 10.310 7.863 ( 13.876 -6.065 1.021) 15.178 7.982 ( 4.233 -7.908 -3.107) 9.493 8.129 ( 5.323 1.356 -1.284) 5.641 8.412 ( -14.330 -7.943 -5.413) 17.256 8.533 ( -3.977 -6.368 -3.254) 8.182 8.752 ( -16.658 -7.938 -0.170) 18.454 9.172 ( 15.508 -0.930 7.299) 17.166 9.536 ( -7.563 0.152 -1.986) 7.821 9.823 ( -4.631 4.817 0.959) 6.750 10.011 ( -10.451 -3.647 2.664) 11.385 10.469 ( 0.605 -5.228 -6.005) 7.985 10.577 ( 4.442 2.993 12.762) 13.841 10.956 ( 7.240 -5.797 -16.607) 19.021 11.350 ( 0.356 -6.389 15.980) 17.214 11.592 ( 6.104 1.699 -7.502) 9.820 11.993 ( -6.854 1.911 0.894) 7.172 12.914 ( 5.516 3.580 -2.928) 7.199 13.103 ( -4.019 4.127 1.703) 6.007 14.062 ( -2.032 -0.882 -4.504) 5.019 14.127 ( -5.264 -0.498 3.610) 6.403 14.395 ( -0.396 6.049 -1.186) 6.176 14.423 ( -1.681 7.967 1.717) 8.321 15.010 ( 2.159 5.409 1.057) 5.919 15.066 ( -0.604 4.870 -1.818) 5.234 15.733 ( 14.973 1.137 9.697) 17.875 16.079 ( 15.213 0.869 -15.831) 21.973 16.224 ( -4.838 -3.476 1.353) 6.108 16.640 ( -7.748 -10.532 8.212) 15.440 19.455 ( 1.628 -0.693 -3.016) 3.497 19.621 ( -5.321 -5.874 0.652) 7.952 ======================= Grid point 239 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 3.895 9.329 -16.461) 19.318 1.217 ( -3.895 9.329 16.461) 19.318 1.465 ( 0.721 16.341 -17.402) 23.883 1.465 ( -0.721 16.341 17.402) 23.883 2.239 ( -0.853 0.589 -4.478) 4.597 2.239 ( 0.853 0.589 4.478) 4.597 2.370 ( 2.555 6.300 -10.106) 12.180 2.370 ( -2.555 6.300 10.106) 12.180 2.439 ( -0.514 7.157 -13.042) 14.885 2.439 ( 0.514 7.157 13.042) 14.885 2.692 ( -2.686 -4.949 -5.067) 7.575 2.692 ( 2.686 -4.949 5.067) 7.575 2.906 ( -0.028 1.329 -4.486) 4.679 2.906 ( 0.028 1.329 4.486) 4.679 3.012 ( 0.176 2.287 -3.447) 4.140 3.012 ( -0.176 2.287 3.447) 4.140 3.216 ( 2.120 -0.230 -5.781) 6.162 3.216 ( -2.120 -0.230 5.781) 6.162 3.395 ( 0.958 -3.975 -3.696) 5.512 3.395 ( -0.958 -3.975 3.696) 5.512 3.574 ( 0.806 -1.347 -2.628) 3.061 3.574 ( -0.806 -1.347 2.628) 3.061 4.031 ( -7.786 -1.436 -5.483) 9.630 4.031 ( 7.786 -1.436 5.483) 9.630 4.200 ( -0.887 -0.047 -5.341) 5.414 4.200 ( 0.887 -0.047 5.341) 5.414 4.568 ( 0.281 -4.199 -4.309) 6.023 4.568 ( -0.281 -4.199 4.309) 6.023 4.998 ( 0.414 -2.275 -0.954) 2.502 4.998 ( -0.414 -2.275 0.954) 2.502 5.409 ( -1.731 0.457 -1.536) 2.359 5.409 ( 1.731 0.457 1.536) 2.359 5.994 ( -2.307 -3.223 -7.133) 8.160 5.994 ( 2.307 -3.223 7.133) 8.160 6.362 ( -1.405 -1.535 0.004) 2.081 6.362 ( 1.405 -1.535 -0.004) 2.081 6.573 ( -3.083 -6.079 -1.198) 6.921 6.573 ( 3.083 -6.079 1.198) 6.921 6.945 ( -1.281 -6.721 -6.544) 9.467 6.945 ( 1.281 -6.721 6.544) 9.467 7.396 ( -0.820 -0.197 -9.534) 9.571 7.396 ( 0.820 -0.197 9.534) 9.571 8.137 ( -1.242 -5.692 -4.036) 7.087 8.137 ( 1.242 -5.692 4.036) 7.087 8.216 ( -2.368 -2.850 -8.177) 8.977 8.216 ( 2.368 -2.850 8.177) 8.977 8.576 ( -6.599 -5.580 -6.437) 10.776 8.576 ( 6.599 -5.580 6.437) 10.776 9.401 ( -6.617 1.529 -11.640) 13.476 9.401 ( 6.617 1.529 11.640) 13.476 9.848 ( 1.397 -4.236 -9.597) 10.582 9.848 ( -1.397 -4.236 9.597) 10.582 10.551 ( 2.826 -1.723 -10.648) 11.150 10.551 ( -2.826 -1.723 10.648) 11.150 11.232 ( 13.651 -6.610 -18.294) 23.764 11.232 ( -13.651 -6.610 18.294) 23.764 11.800 ( -9.484 2.087 -1.408) 9.812 11.800 ( 9.484 2.087 1.408) 9.812 12.991 ( -2.007 2.152 -0.786) 3.046 12.991 ( 2.007 2.152 0.786) 3.046 14.059 ( 2.525 0.508 -4.143) 4.878 14.059 ( -2.525 0.508 4.143) 4.878 14.343 ( 0.365 5.381 -3.696) 6.538 14.343 ( -0.365 5.381 3.696) 6.538 14.989 ( -1.539 6.719 -0.044) 6.893 14.989 ( 1.539 6.719 0.044) 6.893 15.992 ( -13.354 -0.776 -9.153) 16.209 15.992 ( 13.354 -0.776 9.153) 16.209 16.483 ( 8.847 -3.889 -5.211) 10.980 16.483 ( -8.847 -3.889 5.211) 10.980 19.556 ( 6.308 -4.413 -2.199) 8.006 19.556 ( -6.308 -4.413 2.199) 8.006 ======================= Grid point 245 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.602 -0.000 -4.007) 4.052 1.506 ( -5.750 0.000 3.482) 6.722 1.739 ( 7.177 -0.000 1.850) 7.411 1.795 ( 6.324 -0.000 0.270) 6.329 2.039 ( 0.906 -0.000 -2.497) 2.656 2.188 ( 4.832 -0.000 8.940) 10.162 2.239 ( 5.829 -0.000 -2.220) 6.238 2.304 ( 5.209 -0.000 -2.867) 5.946 2.343 ( -2.360 0.000 1.447) 2.769 2.434 ( -1.777 0.000 0.025) 1.777 2.532 ( -5.171 0.000 -1.559) 5.401 2.534 ( 4.859 -0.000 -0.088) 4.860 2.667 ( -4.530 0.000 4.161) 6.151 2.822 ( -1.614 0.000 -3.841) 4.166 2.915 ( 0.135 -0.000 -2.344) 2.348 3.035 ( -2.053 0.000 0.752) 2.186 3.205 ( 2.900 -0.000 -1.201) 3.139 3.340 ( 0.374 -0.000 -7.696) 7.705 3.391 ( 0.458 -0.000 -0.335) 0.567 3.581 ( 1.025 -0.000 8.294) 8.358 3.790 ( 5.415 -0.000 -3.425) 6.407 3.943 ( -2.171 0.000 -2.773) 3.522 4.119 ( 0.988 -0.000 2.977) 3.137 4.125 ( 3.045 -0.000 3.135) 4.371 4.405 ( -0.949 0.000 5.726) 5.804 4.597 ( -4.817 0.000 -6.000) 7.695 4.920 ( -0.654 0.000 -6.677) 6.709 4.951 ( -1.021 0.000 4.031) 4.158 5.127 ( -5.903 0.000 0.112) 5.904 5.131 ( -8.047 0.000 -4.120) 9.040 5.447 ( 3.097 -0.000 6.165) 6.899 5.549 ( 1.355 -0.000 0.983) 1.674 6.038 ( -10.826 0.000 7.488) 13.164 6.275 ( -8.582 0.000 -7.942) 11.693 6.529 ( -3.558 0.000 -1.673) 3.932 6.729 ( -6.692 0.000 -1.723) 6.911 6.875 ( -2.081 0.000 14.212) 14.364 7.084 ( -6.230 0.000 -6.841) 9.252 7.170 ( -16.665 0.000 6.438) 17.866 7.270 ( -11.395 0.000 8.922) 14.472 7.435 ( -0.221 0.000 -11.313) 11.316 7.657 ( 1.998 -0.000 3.615) 4.130 7.762 ( -10.922 0.000 -10.332) 15.035 8.083 ( -5.112 0.000 -3.196) 6.029 8.090 ( 6.209 -0.000 -3.693) 7.224 8.392 ( -2.285 0.000 -6.536) 6.924 8.772 ( -4.439 0.000 7.145) 8.412 8.940 ( -8.632 0.000 21.508) 23.176 9.310 ( -10.768 0.000 -20.269) 22.952 9.461 ( 5.899 -0.000 -0.304) 5.907 9.540 ( 13.872 -0.000 11.334) 17.914 10.075 ( 13.285 -0.000 -11.438) 17.530 10.456 ( -5.623 0.000 -4.526) 7.218 10.460 ( -12.468 0.000 4.256) 13.175 11.124 ( -4.126 0.000 -10.491) 11.273 11.412 ( 4.576 -0.000 13.860) 14.596 11.757 ( -8.952 0.000 9.078) 12.749 12.183 ( -13.687 0.000 -5.747) 14.844 12.929 ( 5.614 -0.000 0.133) 5.616 13.172 ( 7.876 -0.000 1.214) 7.969 14.180 ( -3.302 0.000 -0.101) 3.303 14.294 ( 1.548 -0.000 -4.469) 4.729 14.582 ( -0.279 0.000 -8.131) 8.136 14.776 ( -8.623 0.000 7.687) 11.552 14.920 ( 4.775 -0.000 3.968) 6.208 14.930 ( 5.831 -0.000 -2.775) 6.457 15.139 ( 11.058 -0.000 11.402) 15.883 15.332 ( 12.028 -0.000 -11.118) 16.379 16.500 ( -7.087 0.000 -0.956) 7.151 16.597 ( -3.930 0.000 1.572) 4.233 19.609 ( -4.589 0.000 1.705) 4.895 19.646 ( -0.884 0.000 -1.731) 1.944 ======================= Grid point 246 (110/117) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.618 1.632 -2.874) 3.679 1.450 ( 0.421 -1.358 2.620) 2.981 1.874 ( 7.756 -0.033 1.341) 7.872 1.925 ( 7.663 -1.508 2.060) 8.077 2.069 ( 1.952 -0.946 -3.156) 3.829 2.230 ( -0.472 0.742 6.815) 6.872 2.262 ( -2.478 -0.240 -4.747) 5.360 2.303 ( -3.465 3.436 2.343) 5.413 2.354 ( 1.469 3.093 -0.459) 3.455 2.433 ( -0.713 -2.844 -0.170) 2.937 2.487 ( 4.492 2.087 0.389) 4.968 2.599 ( 2.761 0.547 2.564) 3.807 2.686 ( 5.593 -5.044 -0.882) 7.583 2.807 ( -0.661 -2.392 -3.959) 4.672 2.931 ( 1.050 -1.321 -0.919) 1.922 3.020 ( -0.835 -2.256 0.194) 2.414 3.214 ( 2.041 5.760 -1.118) 6.212 3.366 ( -0.515 -1.047 -4.312) 4.467 3.407 ( 1.355 -4.208 -2.457) 5.058 3.604 ( 0.449 -0.450 5.728) 5.763 3.853 ( 3.099 2.642 -1.243) 4.258 3.875 ( -2.441 6.028 -2.417) 6.938 4.109 ( -2.350 3.905 2.895) 5.400 4.130 ( -0.851 0.702 3.060) 3.253 4.373 ( -3.760 1.655 4.635) 6.194 4.496 ( -7.449 -2.624 -4.420) 9.051 4.848 ( -9.483 -0.305 -11.260) 14.724 4.915 ( -5.780 3.499 1.876) 7.013 4.928 ( -3.637 2.543 1.087) 4.570 5.043 ( -10.092 -7.324 1.512) 12.561 5.545 ( 4.978 2.082 3.074) 6.210 5.560 ( 4.383 0.283 4.742) 6.463 5.812 ( -15.751 -0.104 5.778) 16.778 6.102 ( -13.597 -4.979 -11.366) 18.408 6.408 ( -8.955 1.060 7.578) 11.779 6.646 ( -4.843 -2.152 -0.060) 5.300 6.793 ( -11.423 -0.393 7.427) 13.631 6.917 ( -11.455 0.787 3.180) 11.914 6.998 ( 0.882 -0.753 -1.858) 2.190 7.132 ( -5.522 0.305 2.013) 5.885 7.417 ( -2.839 -3.652 -6.634) 8.088 7.530 ( -14.534 -2.025 -9.618) 17.545 7.613 ( -6.074 0.880 4.593) 7.666 7.997 ( -6.191 -1.812 2.737) 7.008 8.271 ( 10.634 -2.079 -9.217) 14.225 8.327 ( -2.473 3.360 -14.727) 15.306 8.677 ( -15.962 0.810 15.169) 22.035 8.768 ( -2.886 -4.207 10.398) 11.582 9.089 ( -10.051 1.792 -9.403) 13.880 9.633 ( 6.722 -5.585 11.321) 14.301 9.882 ( 22.623 -1.168 -7.072) 23.732 10.066 ( -9.088 2.304 -6.688) 11.517 10.243 ( -12.201 -0.998 4.700) 13.113 10.567 ( 13.911 -0.565 0.596) 13.935 10.949 ( -11.096 0.538 -9.154) 14.394 11.333 ( -11.568 5.379 9.055) 15.644 11.694 ( -4.446 -4.088 3.297) 6.881 12.047 ( -1.806 -1.782 -1.376) 2.886 12.975 ( 1.925 2.941 0.245) 3.524 13.267 ( 3.841 1.640 -0.840) 4.260 14.122 ( -3.707 -0.843 -1.913) 4.256 14.297 ( -0.789 1.503 -3.171) 3.596 14.581 ( 0.086 -0.262 -4.951) 4.959 14.633 ( -6.402 1.504 5.912) 8.844 14.998 ( 4.959 1.634 4.025) 6.592 15.032 ( 6.153 0.305 -0.207) 6.164 15.359 ( 13.373 2.028 11.300) 17.624 15.546 ( 13.247 -1.974 -13.017) 18.677 16.377 ( -7.663 -1.006 -0.862) 7.777 16.525 ( -5.585 -2.444 1.721) 6.335 19.534 ( -4.226 -0.002 0.758) 4.293 19.620 ( -2.366 -0.824 -0.906) 2.664 ======================= Grid point 247 (111/117) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.333 5.835 1.866) 6.556 1.526 ( 4.913 -0.133 0.074) 4.915 1.976 ( 2.813 4.390 4.007) 6.576 2.024 ( 0.590 2.856 2.995) 4.181 2.124 ( 3.503 -6.353 -5.447) 9.072 2.149 ( -1.680 5.929 -7.060) 9.372 2.221 ( -0.327 1.806 3.067) 3.574 2.243 ( 0.513 -1.171 -1.048) 1.653 2.375 ( 0.826 1.449 3.567) 3.938 2.404 ( 0.928 -0.966 2.352) 2.707 2.612 ( 3.763 -7.134 -0.289) 8.071 2.717 ( 8.687 -1.225 3.677) 9.513 2.780 ( -1.721 -6.872 -3.762) 8.021 2.844 ( 2.594 -0.856 -2.939) 4.012 2.958 ( 1.525 1.101 -0.790) 2.040 3.066 ( 3.414 -2.956 0.849) 4.595 3.195 ( 2.079 4.346 -0.575) 4.852 3.323 ( -3.217 0.897 -0.492) 3.376 3.464 ( 0.645 -1.461 -3.136) 3.519 3.585 ( -2.588 3.836 -2.029) 5.052 3.757 ( -2.083 10.402 -0.686) 10.631 3.835 ( -1.247 7.006 5.138) 8.777 3.995 ( -3.669 4.514 0.787) 5.870 4.114 ( -1.312 0.614 0.276) 1.474 4.259 ( -6.994 -0.211 2.858) 7.558 4.369 ( -9.212 -2.942 -3.105) 10.157 4.589 ( -16.028 -0.461 -9.859) 18.824 4.802 ( -12.390 -3.205 9.531) 15.957 4.861 ( -1.508 1.864 0.988) 2.593 5.011 ( 1.521 -4.381 0.003) 4.638 5.518 ( -4.047 5.458 -10.866) 12.815 5.590 ( -9.869 -6.333 13.497) 17.879 5.731 ( 10.392 1.394 5.331) 11.762 5.912 ( -11.198 -8.168 -8.877) 16.459 6.253 ( -7.735 3.104 7.496) 11.210 6.533 ( -10.439 -0.556 0.730) 10.479 6.617 ( -10.083 -2.957 0.700) 10.530 6.786 ( -5.313 -2.745 5.193) 7.921 6.988 ( -6.455 0.838 -3.031) 7.181 7.121 ( 2.062 -0.237 -0.772) 2.214 7.240 ( -12.965 -2.161 -8.887) 15.866 7.464 ( -2.722 -10.865 -1.069) 11.252 7.541 ( -0.062 -0.883 4.507) 4.593 7.908 ( -5.798 -1.365 6.910) 9.123 8.222 ( -3.126 4.079 -14.114) 15.021 8.418 ( 3.452 -3.676 -9.323) 10.600 8.427 ( -13.920 -3.316 5.898) 15.477 8.746 ( -12.031 -11.447 -5.768) 17.580 9.015 ( 6.838 5.005 11.518) 14.300 9.682 ( -9.930 -3.878 3.803) 11.318 9.937 ( 0.083 -2.084 0.907) 2.274 10.033 ( -8.175 -0.048 0.530) 8.192 10.335 ( 23.995 1.747 -2.664) 24.205 10.567 ( -11.154 1.626 -2.072) 11.460 11.004 ( 1.986 -0.835 0.742) 2.278 11.049 ( -4.458 -2.050 2.250) 5.398 11.639 ( -3.766 -0.169 -2.319) 4.426 12.075 ( 1.524 0.600 2.283) 2.810 12.968 ( 1.216 3.456 0.860) 3.763 13.268 ( -0.682 3.816 -2.213) 4.463 14.071 ( -3.007 -1.277 -2.939) 4.394 14.226 ( -5.162 1.670 0.417) 5.441 14.539 ( -1.555 2.738 2.212) 3.848 14.587 ( -0.646 0.993 -1.811) 2.164 15.067 ( 5.227 3.708 2.602) 6.917 15.121 ( 5.400 2.807 -0.263) 6.091 15.561 ( 12.040 3.315 11.246) 16.805 15.788 ( 13.417 -3.868 -13.001) 19.079 16.262 ( -7.340 -2.180 -0.876) 7.707 16.469 ( -5.750 -6.876 2.714) 9.365 19.472 ( -2.846 0.033 -0.540) 2.897 19.583 ( -3.387 -2.176 0.123) 4.028 ======================= Grid point 248 (112/117) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.915 8.960 1.962) 9.972 1.535 ( -1.732 6.486 0.469) 6.730 1.882 ( -2.903 12.185 7.042) 14.370 1.902 ( -3.524 11.533 -6.000) 13.470 2.155 ( 2.704 -1.971 -0.451) 3.376 2.214 ( -0.104 -0.656 -0.042) 0.665 2.264 ( 4.134 -4.925 -3.665) 7.402 2.336 ( 3.299 -5.011 -0.179) 6.002 2.398 ( 6.288 -0.654 1.900) 6.602 2.504 ( 6.219 -3.342 1.617) 7.243 2.718 ( 0.365 -9.759 -0.381) 9.773 2.785 ( -3.634 -5.943 -2.368) 7.358 2.800 ( -1.346 3.105 2.269) 4.075 2.868 ( -1.739 -0.587 0.408) 1.880 2.968 ( 3.905 2.781 -0.629) 4.835 3.083 ( -1.692 0.592 -3.568) 3.993 3.246 ( 2.317 0.621 4.762) 5.332 3.310 ( 6.190 2.993 1.801) 7.107 3.423 ( -5.055 1.902 -5.803) 7.928 3.451 ( -1.749 11.486 -3.681) 12.188 3.618 ( -2.531 9.984 1.349) 10.388 3.724 ( -4.829 5.523 1.907) 7.580 3.938 ( -0.057 2.017 3.488) 4.030 4.099 ( 0.749 -0.255 -1.428) 1.632 4.191 ( -3.358 -2.086 6.130) 7.294 4.283 ( -8.234 -1.012 -9.941) 12.947 4.368 ( -5.152 -7.131 -6.956) 11.215 4.606 ( -12.966 -3.194 9.010) 16.109 4.859 ( 2.741 1.322 2.075) 3.683 5.071 ( -2.514 -3.913 5.297) 7.049 5.409 ( -4.204 -3.506 -4.219) 6.911 5.472 ( -7.546 0.834 -3.453) 8.340 5.848 ( 3.991 -5.364 -2.289) 7.067 5.956 ( 4.641 0.438 7.863) 9.141 6.149 ( -0.496 -1.943 -0.131) 2.009 6.389 ( -4.767 0.696 4.533) 6.615 6.470 ( -11.031 -5.351 1.168) 12.316 6.719 ( -8.095 -0.754 2.734) 8.577 6.854 ( -5.619 0.351 -5.754) 8.050 6.952 ( -13.068 -5.576 -7.477) 16.055 7.255 ( 4.772 -1.115 2.669) 5.580 7.482 ( -6.471 -5.768 3.154) 9.225 7.703 ( 12.713 -8.792 -2.262) 15.622 7.888 ( 1.950 -3.015 6.122) 7.098 8.162 ( -1.118 -0.902 -1.443) 2.036 8.266 ( -9.053 -4.622 -6.490) 12.060 8.444 ( -3.030 -3.752 -4.112) 6.338 8.590 ( -15.015 -9.984 -5.250) 18.780 9.177 ( 11.931 1.198 11.043) 16.301 9.511 ( -10.106 -2.130 -1.351) 10.416 9.899 ( -3.758 1.586 -5.266) 6.661 9.991 ( -1.558 0.837 9.532) 9.695 10.394 ( -3.540 -2.069 -5.040) 6.497 10.608 ( -4.337 0.383 12.632) 13.361 10.861 ( 9.663 -4.520 -19.993) 22.662 11.266 ( 1.134 -3.379 15.565) 15.968 11.631 ( 8.785 2.491 -8.420) 12.421 12.034 ( -5.813 2.447 1.860) 6.576 12.981 ( 4.176 3.635 2.062) 5.908 13.180 ( -4.673 4.623 -2.772) 7.134 14.043 ( -0.911 -1.039 -3.534) 3.795 14.124 ( -5.451 0.173 2.831) 6.145 14.502 ( 0.526 4.966 0.364) 5.007 14.544 ( -1.413 4.680 -0.199) 4.893 15.104 ( 3.700 5.761 1.203) 6.952 15.149 ( 1.839 5.239 -1.129) 5.666 15.748 ( 11.376 0.805 12.331) 16.796 16.020 ( 6.707 -6.684 -18.186) 20.504 16.180 ( -1.012 -1.599 1.657) 2.515 16.450 ( -6.867 -10.458 5.575) 13.697 19.447 ( 0.240 -0.329 -2.047) 2.087 19.543 ( -4.239 -3.135 1.312) 5.433 ======================= Grid point 249 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.035 10.093 -11.915) 15.650 1.391 ( -1.035 10.093 11.915) 15.650 1.740 ( 0.139 14.684 -13.004) 19.615 1.740 ( -0.139 14.684 13.004) 19.615 2.220 ( -1.155 -2.392 -0.975) 2.829 2.220 ( 1.155 -2.392 0.975) 2.829 2.347 ( 2.549 -1.991 -2.660) 4.187 2.347 ( -2.549 -1.991 2.660) 4.187 2.581 ( -3.106 -5.405 -5.530) 8.334 2.581 ( 3.106 -5.405 5.530) 8.334 2.710 ( -1.646 11.548 -5.956) 13.097 2.710 ( 1.646 11.548 5.956) 13.097 2.823 ( 0.664 -8.427 -1.379) 8.565 2.823 ( -0.664 -8.427 1.379) 8.565 3.041 ( -3.729 -0.987 -2.772) 4.750 3.041 ( 3.729 -0.987 2.772) 4.750 3.279 ( -3.000 7.532 -11.318) 13.922 3.279 ( 3.000 7.532 11.318) 13.922 3.364 ( 0.063 1.639 -4.139) 4.452 3.364 ( -0.063 1.639 4.139) 4.452 3.589 ( -5.166 3.167 -0.887) 6.124 3.589 ( 5.166 3.167 0.887) 6.124 4.020 ( -8.815 0.007 -6.593) 11.008 4.020 ( 8.815 0.007 6.593) 11.008 4.186 ( -0.278 -1.482 -5.443) 5.648 4.186 ( 0.278 -1.482 5.443) 5.648 4.477 ( 4.977 -5.662 -8.232) 11.162 4.477 ( -4.977 -5.662 8.232) 11.162 4.966 ( -6.513 -1.274 0.244) 6.641 4.966 ( 6.513 -1.274 -0.244) 6.641 5.405 ( 0.524 -1.066 -1.749) 2.114 5.405 ( -0.524 -1.066 1.749) 2.114 5.949 ( -0.091 -1.986 -7.817) 8.065 5.949 ( 0.091 -1.986 7.817) 8.065 6.292 ( -4.714 -5.607 -6.286) 9.653 6.292 ( 4.714 -5.607 6.286) 9.653 6.513 ( -11.705 -0.615 -7.626) 13.983 6.513 ( 11.705 -0.615 7.626) 13.983 6.853 ( 0.258 -4.151 -2.894) 5.067 6.853 ( -0.258 -4.151 2.894) 5.067 7.380 ( -2.336 -1.660 -6.935) 7.504 7.380 ( 2.336 -1.660 6.935) 7.504 7.977 ( 0.210 -10.418 -3.770) 11.082 7.977 ( -0.210 -10.418 3.770) 11.082 8.185 ( -2.873 -2.176 -10.204) 10.822 8.185 ( 2.873 -2.176 10.204) 10.822 8.462 ( -4.850 -6.081 -6.038) 9.847 8.462 ( 4.850 -6.081 6.038) 9.847 9.379 ( -6.357 -2.664 -9.689) 11.890 9.379 ( 6.357 -2.664 9.689) 11.890 9.878 ( 0.379 4.977 -12.060) 13.052 9.878 ( -0.379 4.977 12.060) 13.052 10.483 ( 2.253 -5.394 -10.815) 12.294 10.483 ( -2.253 -5.394 10.815) 12.294 11.147 ( 15.740 -2.988 -17.496) 23.723 11.147 ( -15.740 -2.988 17.496) 23.723 11.840 ( -9.243 2.398 0.776) 9.581 11.840 ( 9.243 2.398 -0.776) 9.581 13.044 ( -2.964 3.751 -5.314) 7.148 13.044 ( 2.964 3.751 5.314) 7.148 14.058 ( 2.452 -0.415 -3.948) 4.666 14.058 ( -2.452 -0.415 3.948) 4.666 14.465 ( 0.397 7.131 -4.027) 8.199 14.465 ( -0.397 7.131 4.027) 8.199 15.096 ( -1.407 5.982 -1.038) 6.232 15.096 ( 1.407 5.982 1.038) 6.232 15.960 ( -11.004 -2.573 -11.745) 16.299 15.960 ( 11.004 -2.573 11.745) 16.299 16.378 ( 13.053 -7.635 -7.474) 16.868 16.378 ( -13.053 -7.635 7.474) 16.868 19.495 ( 4.391 -2.513 -2.595) 5.685 19.495 ( -4.391 -2.513 2.595) 5.685 ======================= Grid point 257 (114/117) ======================= q-point: (-0.60 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 4.147 -0.000 6.057) 7.340 1.505 ( 6.128 -0.000 -4.252) 7.459 2.002 ( 7.586 -0.000 -0.054) 7.586 2.019 ( 2.917 -0.000 2.960) 4.156 2.094 ( 0.647 -0.000 -2.135) 2.231 2.199 ( -3.004 0.000 -6.586) 7.238 2.236 ( 0.410 -0.000 3.820) 3.842 2.286 ( -0.826 0.000 1.920) 2.090 2.357 ( -2.175 0.000 -3.071) 3.763 2.393 ( -0.254 0.000 4.132) 4.140 2.546 ( 1.380 -0.000 2.520) 2.873 2.705 ( 9.523 -0.000 4.810) 10.669 2.710 ( -0.900 0.000 -4.733) 4.818 2.833 ( 1.688 -0.000 -4.446) 4.756 3.000 ( 0.467 -0.000 -2.618) 2.659 3.011 ( 9.295 -0.000 3.733) 10.017 3.251 ( -1.153 0.000 1.446) 1.849 3.331 ( -2.542 0.000 -2.489) 3.557 3.424 ( 2.895 -0.000 -8.070) 8.574 3.613 ( -0.215 0.000 4.145) 4.151 3.866 ( -1.296 0.000 -2.624) 2.927 3.905 ( 1.263 -0.000 1.923) 2.301 4.054 ( -6.702 0.000 2.522) 7.160 4.107 ( -1.664 0.000 1.889) 2.518 4.277 ( -9.184 0.000 7.521) 11.871 4.327 ( -8.261 0.000 -8.166) 11.616 4.586 ( -17.941 0.000 -12.837) 22.060 4.771 ( -13.676 0.000 12.919) 18.813 4.869 ( -1.863 0.000 -2.044) 2.766 4.978 ( 3.909 -0.000 1.839) 4.320 5.511 ( -16.567 0.000 10.579) 19.657 5.607 ( 3.572 -0.000 -7.390) 8.208 5.747 ( 9.213 -0.000 4.419) 10.218 5.813 ( -12.219 0.000 -7.746) 14.468 6.290 ( -7.325 0.000 9.232) 11.784 6.522 ( -9.169 0.000 1.751) 9.334 6.588 ( -11.838 0.000 0.809) 11.865 6.765 ( -5.313 0.000 3.430) 6.323 6.993 ( -7.249 0.000 -3.261) 7.948 7.117 ( 4.589 -0.000 -0.838) 4.665 7.225 ( -16.209 0.000 -9.495) 18.785 7.360 ( -1.428 0.000 -3.868) 4.123 7.538 ( -1.852 0.000 5.583) 5.882 7.893 ( -4.726 0.000 7.706) 9.040 8.247 ( -8.734 0.000 -9.256) 12.726 8.385 ( 3.955 -0.000 -8.863) 9.705 8.441 ( -9.174 0.000 8.485) 12.496 8.608 ( -13.632 0.000 -13.868) 19.446 9.065 ( 5.334 -0.000 13.116) 14.159 9.634 ( -5.154 0.000 4.156) 6.621 9.915 ( -6.904 0.000 -7.823) 10.434 10.038 ( -4.305 0.000 8.857) 9.848 10.353 ( 25.113 -0.000 -3.932) 25.419 10.584 ( -11.895 0.000 -2.091) 12.078 10.998 ( 16.686 -0.000 2.154) 16.824 11.023 ( -23.207 0.000 0.724) 23.219 11.643 ( -1.386 0.000 -2.757) 3.086 12.082 ( 3.043 -0.000 3.151) 4.380 12.998 ( 0.151 -0.000 4.570) 4.572 13.305 ( -0.085 0.000 -6.011) 6.011 14.060 ( -2.815 0.000 -1.859) 3.374 14.247 ( -5.802 0.000 -1.973) 6.128 14.562 ( -2.102 0.000 3.808) 4.349 14.582 ( 0.269 -0.000 -3.120) 3.131 15.116 ( 6.734 -0.000 4.539) 8.121 15.145 ( 6.577 -0.000 1.516) 6.750 15.611 ( 12.409 -0.000 14.767) 19.288 15.723 ( 10.494 -0.000 -18.581) 21.340 16.245 ( -6.730 0.000 0.164) 6.732 16.403 ( -7.119 0.000 1.059) 7.197 19.473 ( -2.846 0.000 -0.417) 2.877 19.564 ( -3.493 0.000 0.213) 3.500 ======================= Grid point 259 (115/117) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.408 5.526 4.616) 8.443 1.600 ( 2.862 0.675 -2.681) 3.979 2.021 ( -0.664 2.663 4.780) 5.512 2.054 ( -1.498 5.236 2.662) 6.062 2.144 ( 4.086 -2.429 -4.097) 6.276 2.163 ( 0.797 0.835 -4.788) 4.925 2.239 ( 1.676 1.306 -0.261) 2.141 2.275 ( 1.455 -1.289 0.153) 1.950 2.373 ( 2.234 -3.001 -3.263) 4.964 2.459 ( 6.073 -2.061 3.847) 7.479 2.561 ( -2.694 -4.731 2.580) 6.024 2.680 ( -4.149 -3.777 -2.977) 6.351 2.820 ( 0.432 0.209 1.160) 1.255 2.838 ( 0.522 -1.899 1.495) 2.472 3.033 ( 4.686 2.500 -1.675) 5.569 3.116 ( -0.461 2.293 -1.418) 2.735 3.235 ( 1.044 -1.307 1.434) 2.203 3.345 ( 6.801 0.984 2.741) 7.398 3.421 ( -3.202 -0.597 -8.162) 8.788 3.583 ( -2.623 2.901 1.397) 4.153 3.812 ( -0.890 8.528 -4.496) 9.681 3.864 ( -4.427 7.867 6.265) 10.988 3.960 ( -1.308 -0.321 2.397) 2.750 4.083 ( -1.060 -1.540 -1.238) 2.243 4.153 ( -4.666 -1.514 6.668) 8.278 4.264 ( 1.088 -1.475 -9.223) 9.404 4.281 ( -15.305 -1.913 -11.110) 19.008 4.561 ( -13.103 -1.537 15.181) 20.112 4.870 ( 1.905 -0.324 -2.028) 2.801 5.033 ( -1.433 -0.289 4.592) 4.819 5.310 ( -5.271 -4.191 1.972) 7.017 5.536 ( -9.710 3.714 -8.203) 13.243 5.748 ( 7.310 -4.565 -3.912) 9.464 5.976 ( 10.210 0.812 11.192) 15.171 6.144 ( -8.527 0.561 -1.240) 8.635 6.387 ( -10.282 -0.647 -0.156) 10.304 6.412 ( -4.181 -1.321 9.225) 10.214 6.722 ( -2.344 1.006 4.592) 5.253 6.845 ( -9.114 -2.581 -7.409) 12.026 6.879 ( -16.076 -1.097 -12.231) 20.230 7.255 ( 5.160 0.878 4.005) 6.591 7.367 ( -1.166 -5.164 -1.365) 5.467 7.609 ( 8.825 -2.400 -1.488) 9.266 7.857 ( -1.563 -0.717 11.016) 11.150 8.094 ( -7.166 -3.095 3.984) 8.763 8.296 ( -7.336 4.903 -11.107) 14.185 8.400 ( -1.777 -1.399 -2.670) 3.499 8.424 ( -9.077 -8.241 -9.824) 15.710 9.198 ( 7.789 0.759 13.882) 15.936 9.482 ( -10.526 -0.871 -3.531) 11.136 9.880 ( 2.357 -1.714 -8.100) 8.608 10.018 ( -0.595 1.132 14.183) 14.240 10.394 ( -6.965 0.952 -6.772) 9.761 10.597 ( -14.763 -0.957 10.949) 18.405 10.812 ( 17.056 -1.226 -18.529) 25.213 11.225 ( 2.843 -1.249 14.611) 14.937 11.668 ( 8.647 1.290 -8.707) 12.339 12.068 ( -5.682 1.141 2.337) 6.248 13.028 ( 4.024 1.491 8.452) 9.479 13.248 ( -4.504 2.408 -8.777) 10.154 14.030 ( -0.534 -0.408 -1.712) 1.839 14.130 ( -6.360 0.398 0.365) 6.382 14.552 ( 0.525 1.082 1.702) 2.084 14.579 ( -0.487 0.197 -1.797) 1.872 15.206 ( 5.439 4.814 2.796) 7.782 15.235 ( 4.221 3.045 0.819) 5.268 15.773 ( 7.729 2.596 11.800) 14.343 15.884 ( 5.064 -7.445 -15.629) 18.037 16.166 ( -1.806 -0.178 1.426) 2.307 16.306 ( -6.709 -4.914 0.947) 8.370 19.443 ( -0.360 -0.086 -1.518) 1.563 19.508 ( -3.581 -0.949 1.289) 3.922 ======================= Grid point 260 (116/117) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.007 7.097 -8.271) 10.945 1.548 ( 1.007 7.097 8.271) 10.945 1.963 ( -0.183 9.893 -6.973) 12.105 1.963 ( 0.183 9.893 6.973) 12.105 2.175 ( -0.618 -1.708 -2.096) 2.773 2.175 ( 0.618 -1.708 2.096) 2.773 2.307 ( -0.858 -2.860 -2.100) 3.650 2.307 ( 0.858 -2.860 2.100) 3.650 2.493 ( 4.216 -3.985 -6.261) 8.536 2.493 ( -4.216 -3.985 6.261) 8.536 2.641 ( -2.624 -8.807 -0.984) 9.242 2.641 ( 2.624 -8.807 0.984) 9.242 2.826 ( -0.400 0.715 -2.452) 2.585 2.826 ( 0.400 0.715 2.452) 2.585 3.057 ( -1.930 3.165 -2.188) 4.305 3.057 ( 1.930 3.165 2.188) 4.305 3.319 ( -6.089 -0.644 -2.851) 6.754 3.319 ( 6.089 -0.644 2.851) 6.754 3.471 ( -4.164 5.034 -1.843) 6.788 3.471 ( 4.164 5.034 1.843) 6.788 3.714 ( 0.750 10.915 -4.376) 11.783 3.714 ( -0.750 10.915 4.376) 11.783 4.021 ( -8.019 -0.165 -6.897) 10.578 4.021 ( 8.019 -0.165 6.897) 10.578 4.147 ( -0.147 -2.930 -5.490) 6.225 4.147 ( 0.147 -2.930 5.490) 6.225 4.393 ( 9.398 -3.377 -12.223) 15.783 4.393 ( -9.398 -3.377 12.223) 15.783 4.946 ( 2.420 -1.143 -2.522) 3.677 4.946 ( -2.420 -1.143 2.522) 3.677 5.379 ( -5.530 -1.372 -3.896) 6.902 5.379 ( 5.530 -1.372 3.896) 6.902 5.924 ( 1.938 -0.933 -3.811) 4.376 5.924 ( -1.938 -0.933 3.811) 4.376 6.212 ( -7.943 -2.971 -3.549) 9.193 6.212 ( 7.943 -2.971 3.549) 9.193 6.524 ( -13.101 1.204 -12.687) 18.277 6.524 ( 13.101 1.204 12.687) 18.277 6.788 ( -0.376 -3.246 -4.429) 5.504 6.788 ( 0.376 -3.246 4.429) 5.504 7.343 ( -3.332 -2.092 -4.626) 6.073 7.343 ( 3.332 -2.092 4.626) 6.073 7.820 ( 5.617 -6.627 -7.885) 11.732 7.820 ( -5.617 -6.627 7.885) 11.732 8.137 ( -6.995 -2.724 -7.828) 10.845 8.137 ( 6.995 -2.724 7.828) 10.845 8.386 ( -0.317 -2.607 -7.482) 7.929 8.386 ( 0.317 -2.607 7.482) 7.929 9.338 ( -6.899 -1.699 -8.911) 11.397 9.338 ( 6.899 -1.699 8.911) 11.397 9.954 ( 3.401 2.910 -10.819) 11.708 9.954 ( -3.401 2.910 10.819) 11.708 10.397 ( 2.302 -3.594 -9.009) 9.969 10.397 ( -2.302 -3.594 9.009) 9.969 11.116 ( 14.801 -0.908 -15.091) 21.158 11.116 ( -14.801 -0.908 15.091) 21.158 11.878 ( -13.767 1.733 3.539) 14.320 11.878 ( 13.767 1.733 -3.539) 14.320 13.112 ( -5.624 3.507 -9.691) 11.740 13.112 ( 5.624 3.507 9.691) 11.740 14.051 ( 1.961 -0.328 -2.457) 3.161 14.051 ( -1.961 -0.328 2.457) 3.161 14.552 ( -0.541 2.548 -2.023) 3.298 14.552 ( 0.541 2.548 2.023) 3.298 15.212 ( -0.696 6.955 -2.494) 7.421 15.212 ( 0.696 6.955 2.494) 7.421 15.906 ( -5.442 -3.518 -16.358) 17.595 15.906 ( 5.442 -3.518 16.358) 17.595 16.246 ( 0.491 -6.274 -2.252) 6.684 16.246 ( -0.491 -6.274 2.252) 6.684 19.465 ( 2.610 -1.046 -2.044) 3.476 19.465 ( -2.610 -1.046 2.044) 3.476 ======================= Grid point 271 (117/117) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.241 0.000 -6.777) 6.890 1.615 ( 1.241 0.000 6.777) 6.890 2.048 ( -1.466 0.000 -1.995) 2.476 2.048 ( 1.466 0.000 1.995) 2.476 2.176 ( -0.146 0.000 -2.839) 2.843 2.176 ( 0.146 0.000 2.839) 2.843 2.272 ( -0.557 0.000 -0.903) 1.061 2.272 ( 0.557 0.000 0.903) 1.061 2.445 ( 7.973 0.000 -9.097) 12.097 2.445 ( -7.973 0.000 9.097) 12.097 2.563 ( -6.712 0.000 -3.878) 7.752 2.563 ( 6.712 0.000 3.878) 7.752 2.822 ( 1.276 0.000 -3.299) 3.537 2.822 ( -1.276 0.000 3.299) 3.537 3.095 ( -2.036 -0.000 -1.248) 2.388 3.095 ( 2.036 0.000 1.248) 2.388 3.308 ( -7.108 0.000 -3.024) 7.725 3.308 ( 7.108 0.000 3.024) 7.725 3.509 ( -7.929 0.000 0.627) 7.954 3.509 ( 7.929 0.000 -0.627) 7.954 3.849 ( 1.453 0.000 -6.446) 6.608 3.849 ( -1.453 0.000 6.446) 6.608 4.011 ( -6.832 0.000 -6.193) 9.221 4.011 ( 6.832 0.000 6.193) 9.221 4.109 ( -0.444 0.000 -6.757) 6.771 4.109 ( 0.444 0.000 6.757) 6.771 4.364 ( 10.642 0.000 -13.994) 17.581 4.364 ( -10.642 0.000 13.994) 17.581 4.932 ( 6.456 0.000 -4.192) 7.698 4.932 ( -6.456 0.000 4.192) 7.698 5.368 ( -9.233 -0.000 -4.200) 10.144 5.368 ( 9.233 0.000 4.200) 10.144 5.916 ( -12.276 0.000 2.586) 12.546 5.916 ( 12.276 0.000 -2.586) 12.546 6.188 ( -9.881 0.000 -3.861) 10.609 6.188 ( 9.881 0.000 3.861) 10.609 6.538 ( -14.394 0.000 -16.228) 21.692 6.538 ( 14.394 0.000 16.228) 21.692 6.755 ( -3.052 0.000 -7.143) 7.768 6.755 ( 3.052 0.000 7.143) 7.768 7.322 ( -1.747 0.000 -3.822) 4.203 7.322 ( 1.747 0.000 3.822) 4.203 7.761 ( 9.867 0.000 -10.603) 14.483 7.761 ( -9.867 0.000 10.603) 14.483 8.111 ( -9.172 0.000 -7.398) 11.784 8.111 ( 9.172 0.000 7.398) 11.784 8.364 ( 1.258 0.000 -8.039) 8.137 8.364 ( -1.258 0.000 8.039) 8.137 9.323 ( -6.873 0.000 -8.999) 11.323 9.323 ( 6.873 0.000 8.999) 11.323 9.977 ( 7.038 0.000 -9.200) 11.583 9.977 ( -7.038 0.000 9.200) 11.583 10.366 ( 6.027 0.000 -8.111) 10.105 10.366 ( -6.027 0.000 8.111) 10.105 11.109 ( 15.019 0.000 -14.041) 20.560 11.109 ( -15.019 0.000 14.041) 20.560 11.894 ( -14.439 0.000 4.014) 14.987 11.894 ( 14.439 0.000 -4.014) 14.987 13.146 ( -6.921 0.000 -11.665) 13.564 13.146 ( 6.921 0.000 11.665) 13.564 14.048 ( -3.116 0.000 0.688) 3.191 14.048 ( 3.116 0.000 -0.688) 3.191 14.569 ( -0.682 0.000 -1.415) 1.571 14.569 ( 0.682 0.000 1.415) 1.571 15.289 ( 0.456 0.000 -0.676) 0.815 15.289 ( -0.456 0.000 0.676) 0.815 15.864 ( -0.061 0.000 -19.442) 19.442 15.864 ( 0.061 0.000 19.442) 19.442 16.188 ( -4.022 0.000 -1.990) 4.487 16.188 ( 4.022 0.000 1.990) 4.487 19.456 ( 2.068 0.000 -1.796) 2.739 19.456 ( -2.068 0.000 1.796) 2.739 =================== 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 3/28800 10.0 797.192 1115.868 676.751 -0.000 -35.602 -0.000 3/28800 20.0 101.438 140.350 114.554 -0.000 -7.170 -0.000 3/28800 30.0 37.199 50.794 43.573 -0.000 -1.776 -0.000 3/28800 40.0 19.895 26.702 23.246 -0.000 -0.721 -0.000 3/28800 50.0 12.857 16.965 14.907 -0.000 -0.383 -0.000 3/28800 60.0 9.300 12.058 10.691 -0.000 -0.237 -0.000 3/28800 70.0 7.240 9.218 8.249 -0.000 -0.162 -0.000 3/28800 80.0 5.928 7.410 6.695 -0.000 -0.120 -0.000 3/28800 90.0 5.032 6.177 5.634 -0.000 -0.093 -0.000 3/28800 100.0 4.387 5.292 4.870 -0.000 -0.076 -0.000 3/28800 110.0 3.902 4.628 4.297 -0.000 -0.065 -0.000 3/28800 120.0 3.524 4.115 3.850 -0.000 -0.057 -0.000 3/28800 130.0 3.221 3.707 3.494 -0.000 -0.052 -0.000 3/28800 140.0 2.973 3.375 3.202 -0.000 -0.047 -0.000 3/28800 150.0 2.765 3.100 2.959 -0.000 -0.044 -0.000 3/28800 160.0 2.587 2.868 2.752 -0.000 -0.041 -0.000 3/28800 170.0 2.434 2.670 2.575 -0.000 -0.039 -0.000 3/28800 180.0 2.300 2.499 2.420 -0.000 -0.037 -0.000 3/28800 190.0 2.182 2.350 2.285 -0.000 -0.036 -0.000 3/28800 200.0 2.076 2.218 2.164 -0.000 -0.034 -0.000 3/28800 210.0 1.982 2.101 2.057 -0.000 -0.033 -0.000 3/28800 220.0 1.896 1.996 1.960 -0.000 -0.032 -0.000 3/28800 230.0 1.817 1.902 1.873 -0.000 -0.031 -0.000 3/28800 240.0 1.746 1.817 1.793 -0.000 -0.030 -0.000 3/28800 250.0 1.680 1.739 1.720 -0.000 -0.029 -0.000 3/28800 260.0 1.619 1.668 1.653 -0.000 -0.029 -0.000 3/28800 270.0 1.562 1.603 1.591 -0.000 -0.028 -0.000 3/28800 280.0 1.510 1.543 1.534 -0.000 -0.027 -0.000 3/28800 290.0 1.461 1.487 1.481 -0.000 -0.027 -0.000 3/28800 300.0 1.415 1.436 1.432 -0.000 -0.026 -0.000 3/28800 310.0 1.372 1.387 1.386 -0.000 -0.025 -0.000 3/28800 320.0 1.332 1.343 1.342 -0.000 -0.025 -0.000 3/28800 330.0 1.294 1.301 1.302 -0.000 -0.024 -0.000 3/28800 340.0 1.258 1.261 1.264 -0.000 -0.024 -0.000 3/28800 350.0 1.224 1.224 1.228 -0.000 -0.023 -0.000 3/28800 360.0 1.192 1.189 1.194 -0.000 -0.023 -0.000 3/28800 370.0 1.161 1.157 1.162 -0.000 -0.022 -0.000 3/28800 380.0 1.132 1.126 1.132 -0.000 -0.022 -0.000 3/28800 390.0 1.105 1.096 1.103 -0.000 -0.021 -0.000 3/28800 400.0 1.078 1.068 1.076 -0.000 -0.021 -0.000 3/28800 410.0 1.053 1.042 1.050 -0.000 -0.021 -0.000 3/28800 420.0 1.029 1.017 1.025 -0.000 -0.020 -0.000 3/28800 430.0 1.007 0.993 1.001 -0.000 -0.020 -0.000 3/28800 440.0 0.985 0.970 0.979 -0.000 -0.020 -0.000 3/28800 450.0 0.964 0.948 0.957 -0.000 -0.019 -0.000 3/28800 460.0 0.944 0.927 0.937 -0.000 -0.019 -0.000 3/28800 470.0 0.925 0.907 0.917 -0.000 -0.019 -0.000 3/28800 480.0 0.906 0.888 0.898 -0.000 -0.018 -0.000 3/28800 490.0 0.888 0.870 0.880 -0.000 -0.018 -0.000 3/28800 500.0 0.871 0.852 0.862 -0.000 -0.018 -0.000 3/28800 510.0 0.855 0.836 0.846 -0.000 -0.017 -0.000 3/28800 520.0 0.839 0.819 0.830 -0.000 -0.017 -0.000 3/28800 530.0 0.824 0.804 0.814 -0.000 -0.017 -0.000 3/28800 540.0 0.809 0.789 0.799 -0.000 -0.017 -0.000 3/28800 550.0 0.795 0.774 0.785 -0.000 -0.016 -0.000 3/28800 560.0 0.781 0.761 0.771 -0.000 -0.016 -0.000 3/28800 570.0 0.768 0.747 0.758 -0.000 -0.016 -0.000 3/28800 580.0 0.755 0.734 0.745 -0.000 -0.016 -0.000 3/28800 590.0 0.743 0.722 0.732 -0.000 -0.015 -0.000 3/28800 600.0 0.731 0.710 0.720 -0.000 -0.015 -0.000 3/28800 610.0 0.719 0.698 0.708 -0.000 -0.015 -0.000 3/28800 620.0 0.708 0.687 0.697 -0.000 -0.015 -0.000 3/28800 630.0 0.697 0.676 0.686 -0.000 -0.015 -0.000 3/28800 640.0 0.686 0.665 0.675 -0.000 -0.014 -0.000 3/28800 650.0 0.676 0.655 0.665 -0.000 -0.014 -0.000 3/28800 660.0 0.666 0.645 0.655 -0.000 -0.014 -0.000 3/28800 670.0 0.656 0.635 0.645 -0.000 -0.014 -0.000 3/28800 680.0 0.647 0.626 0.636 -0.000 -0.014 -0.000 3/28800 690.0 0.638 0.617 0.627 -0.000 -0.013 -0.000 3/28800 700.0 0.629 0.608 0.618 -0.000 -0.013 -0.000 3/28800 710.0 0.620 0.599 0.609 -0.000 -0.013 -0.000 3/28800 720.0 0.612 0.591 0.601 -0.000 -0.013 -0.000 3/28800 730.0 0.604 0.583 0.593 -0.000 -0.013 -0.000 3/28800 740.0 0.596 0.575 0.585 -0.000 -0.013 -0.000 3/28800 750.0 0.588 0.567 0.577 -0.000 -0.013 -0.000 3/28800 760.0 0.580 0.560 0.570 -0.000 -0.012 -0.000 3/28800 770.0 0.573 0.553 0.562 -0.000 -0.012 -0.000 3/28800 780.0 0.566 0.546 0.555 -0.000 -0.012 -0.000 3/28800 790.0 0.559 0.539 0.548 -0.000 -0.012 -0.000 3/28800 800.0 0.552 0.532 0.541 -0.000 -0.012 -0.000 3/28800 810.0 0.545 0.525 0.535 -0.000 -0.012 -0.000 3/28800 820.0 0.539 0.519 0.528 -0.000 -0.012 -0.000 3/28800 830.0 0.532 0.513 0.522 -0.000 -0.011 -0.000 3/28800 840.0 0.526 0.507 0.516 -0.000 -0.011 -0.000 3/28800 850.0 0.520 0.501 0.510 -0.000 -0.011 -0.000 3/28800 860.0 0.514 0.495 0.504 -0.000 -0.011 -0.000 3/28800 870.0 0.508 0.489 0.498 -0.000 -0.011 -0.000 3/28800 880.0 0.503 0.484 0.492 -0.000 -0.011 -0.000 3/28800 890.0 0.497 0.478 0.487 -0.000 -0.011 -0.000 3/28800 900.0 0.492 0.473 0.482 -0.000 -0.011 -0.000 3/28800 910.0 0.486 0.468 0.476 -0.000 -0.011 -0.000 3/28800 920.0 0.481 0.463 0.471 -0.000 -0.010 -0.000 3/28800 930.0 0.476 0.458 0.466 -0.000 -0.010 -0.000 3/28800 940.0 0.471 0.453 0.461 -0.000 -0.010 -0.000 3/28800 950.0 0.466 0.448 0.456 -0.000 -0.010 -0.000 3/28800 960.0 0.461 0.443 0.452 -0.000 -0.010 -0.000 3/28800 970.0 0.457 0.439 0.447 -0.000 -0.010 -0.000 3/28800 980.0 0.452 0.434 0.442 -0.000 -0.010 -0.000 3/28800 990.0 0.448 0.430 0.438 -0.000 -0.010 -0.000 3/28800 1000.0 0.443 0.426 0.434 -0.000 -0.010 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:45:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|