----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 6.546144640000119 -4.525153150000000 0.000000000000000 b 6.546144640000119 4.525153150000000 0.000000000000000 c -1.582167973741610 0.000000000000000 5.318698775464870 Atomic positions (fractional): *1 O 0.25447741535468 0.36470742162994 0.90750204406029 15.999 2 O 0.63529257837006 0.74552258464532 0.59249795593971 15.999 3 O 0.74552258464532 0.63529257837006 0.09249795593971 15.999 4 O 0.36470742162994 0.25447741535468 0.40750204406029 15.999 *5 O 0.13472244842400 0.61772415359033 0.33354745726999 15.999 6 O 0.38227584640967 0.86527755157599 0.16645254273001 15.999 7 O 0.86527755157599 0.38227584640967 0.66645254273001 15.999 8 O 0.61772415359033 0.13472244842401 0.83354745726999 15.999 *9 O 0.92085886114793 0.84315834354622 0.95332041628910 15.999 10 O 0.15684165645378 0.07914113885207 0.54667958371090 15.999 *11 O 0.47184865596745 0.52815134403255 0.75000000000000 15.999 12 O 0.52815134403255 0.47184865596745 0.25000000000000 15.999 13 O 0.84315834354622 0.92085886114793 0.45332041628910 15.999 14 O 0.07914113885207 0.15684165645378 0.04667958371090 15.999 *15 Al 0.32006155259048 0.43869128239694 0.24138099507108 26.982 16 Al 0.56130871760306 0.67993844740952 0.25861900492892 26.982 17 Al 0.67993844740952 0.56130871760306 0.75861900492892 26.982 18 Al 0.43869128239694 0.32006155259048 0.74138099507108 26.982 *19 Al 0.91886430030577 0.74479522093373 0.20413854225996 26.982 20 Al 0.25520477906627 0.08113569969423 0.29586145774004 26.982 21 Al 0.08113569969423 0.25520477906627 0.79586145774004 26.982 22 Al 0.74479522093373 0.91886430030577 0.70413854225996 26.982 *23 Sr 0.81294989577201 0.18705010422799 0.25000000000000 87.620 24 Sr 0.18705010422799 0.81294989577201 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.092289280000237 0.000000000000000 0.000000000000000 b 0.000000000000000 9.050306299999999 0.000000000000000 c -1.582167973741610 0.000000000000000 5.318698775464870 Atomic positions (fractional): *1 O 0.30959241849231 0.05511500313763 0.90750204406029 15.999 > 1 2 O 0.69040758150769 0.05511500313763 0.59249795593971 15.999 > 2 3 O 0.69040758150769 0.94488499686237 0.09249795593971 15.999 > 3 4 O 0.30959241849231 0.94488499686237 0.40750204406029 15.999 > 4 *5 O 0.37622330100717 0.24150085258316 0.33354745726999 15.999 > 5 6 O 0.62377669899283 0.24150085258316 0.16645254273001 15.999 > 6 7 O 0.62377669899283 0.75849914741684 0.66645254273001 15.999 > 7 8 O 0.37622330100717 0.75849914741684 0.83354745726999 15.999 > 8 *9 O 0.88200860234707 0.96114974119915 0.95332041628910 15.999 > 9 10 O 0.11799139765293 0.96114974119915 0.54667958371090 15.999 > 10 *11 O 0.50000000000000 0.02815134403255 0.75000000000000 15.999 > 11 12 O 0.50000000000000 0.97184865596745 0.25000000000000 15.999 > 12 13 O 0.88200860234707 0.03885025880085 0.45332041628910 15.999 > 13 14 O 0.11799139765293 0.03885025880085 0.04667958371090 15.999 > 14 15 O 0.80959241849231 0.55511500313763 0.90750204406029 15.999 > 1 16 O 0.19040758150769 0.55511500313763 0.59249795593971 15.999 > 2 17 O 0.19040758150769 0.44488499686237 0.09249795593971 15.999 > 3 18 O 0.80959241849231 0.44488499686237 0.40750204406029 15.999 > 4 19 O 0.87622330100717 0.74150085258316 0.33354745726999 15.999 > 5 20 O 0.12377669899283 0.74150085258316 0.16645254273001 15.999 > 6 21 O 0.12377669899283 0.25849914741684 0.66645254273001 15.999 > 7 22 O 0.87622330100717 0.25849914741684 0.83354745726999 15.999 > 8 23 O 0.38200860234707 0.46114974119915 0.95332041628910 15.999 > 9 24 O 0.61799139765293 0.46114974119915 0.54667958371090 15.999 > 10 25 O 0.00000000000000 0.52815134403255 0.75000000000000 15.999 > 11 26 O 0.00000000000000 0.47184865596745 0.25000000000000 15.999 > 12 27 O 0.38200860234707 0.53885025880085 0.45332041628910 15.999 > 13 28 O 0.61799139765293 0.53885025880085 0.04667958371090 15.999 > 14 *29 Al 0.37937641749371 0.05931486490323 0.24138099507108 26.982 > 15 30 Al 0.62062358250629 0.05931486490323 0.25861900492892 26.982 > 16 31 Al 0.62062358250629 0.94068513509677 0.75861900492892 26.982 > 17 32 Al 0.37937641749371 0.94068513509677 0.74138099507108 26.982 > 18 *33 Al 0.83182976061975 0.91296546031398 0.20413854225996 26.982 > 19 34 Al 0.16817023938025 0.91296546031398 0.29586145774004 26.982 > 20 35 Al 0.16817023938025 0.08703453968602 0.79586145774004 26.982 > 21 36 Al 0.83182976061975 0.08703453968602 0.70413854225996 26.982 > 22 37 Al 0.87937641749371 0.55931486490323 0.24138099507108 26.982 > 15 38 Al 0.12062358250629 0.55931486490323 0.25861900492892 26.982 > 16 39 Al 0.12062358250629 0.44068513509677 0.75861900492892 26.982 > 17 40 Al 0.87937641749371 0.44068513509677 0.74138099507108 26.982 > 18 41 Al 0.33182976061975 0.41296546031398 0.20413854225996 26.982 > 19 42 Al 0.66817023938025 0.41296546031398 0.29586145774004 26.982 > 20 43 Al 0.66817023938025 0.58703453968602 0.79586145774004 26.982 > 21 44 Al 0.33182976061975 0.58703453968602 0.70413854225996 26.982 > 22 *45 Sr 0.50000000000000 0.68705010422799 0.25000000000000 87.620 > 23 46 Sr 0.50000000000000 0.31294989577201 0.75000000000000 87.620 > 24 47 Sr 0.00000000000000 0.18705010422799 0.25000000000000 87.620 > 23 48 Sr 0.00000000000000 0.81294989577201 0.75000000000000 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.092289280000237 0.000000000000000 0.000000000000000 b 0.000000000000000 9.050306299999999 0.000000000000000 c -3.164335947483220 0.000000000000000 10.637397550929739 Atomic positions (fractional): *1 O 0.30959241849231 0.05511500313763 0.45375102203015 15.999 > 1 2 O 0.30959241849231 0.05511500313763 0.95375102203015 15.999 > 1 3 O 0.69040758150769 0.05511500313763 0.29624897796985 15.999 > 2 4 O 0.69040758150769 0.05511500313763 0.79624897796985 15.999 > 2 5 O 0.69040758150769 0.94488499686237 0.04624897796985 15.999 > 3 6 O 0.69040758150769 0.94488499686237 0.54624897796985 15.999 > 3 7 O 0.30959241849231 0.94488499686237 0.20375102203015 15.999 > 4 8 O 0.30959241849231 0.94488499686237 0.70375102203015 15.999 > 4 *9 O 0.37622330100717 0.24150085258316 0.16677372863499 15.999 > 5 10 O 0.37622330100717 0.24150085258316 0.66677372863499 15.999 > 5 11 O 0.62377669899283 0.24150085258316 0.08322627136501 15.999 > 6 12 O 0.62377669899283 0.24150085258316 0.58322627136501 15.999 > 6 13 O 0.62377669899283 0.75849914741684 0.33322627136501 15.999 > 7 14 O 0.62377669899283 0.75849914741684 0.83322627136501 15.999 > 7 15 O 0.37622330100717 0.75849914741684 0.41677372863499 15.999 > 8 16 O 0.37622330100717 0.75849914741684 0.91677372863499 15.999 > 8 *17 O 0.88200860234707 0.96114974119915 0.47666020814455 15.999 > 9 18 O 0.88200860234707 0.96114974119915 0.97666020814455 15.999 > 9 19 O 0.11799139765293 0.96114974119915 0.27333979185545 15.999 > 10 20 O 0.11799139765293 0.96114974119915 0.77333979185545 15.999 > 10 *21 O 0.50000000000000 0.02815134403255 0.37500000000000 15.999 > 11 22 O 0.50000000000000 0.02815134403255 0.87500000000000 15.999 > 11 23 O 0.50000000000000 0.97184865596745 0.12500000000000 15.999 > 12 24 O 0.50000000000000 0.97184865596745 0.62500000000000 15.999 > 12 25 O 0.88200860234707 0.03885025880085 0.22666020814455 15.999 > 13 26 O 0.88200860234707 0.03885025880085 0.72666020814455 15.999 > 13 27 O 0.11799139765293 0.03885025880085 0.02333979185545 15.999 > 14 28 O 0.11799139765293 0.03885025880085 0.52333979185545 15.999 > 14 29 O 0.80959241849231 0.55511500313763 0.45375102203015 15.999 > 1 30 O 0.80959241849231 0.55511500313763 0.95375102203015 15.999 > 1 31 O 0.19040758150769 0.55511500313763 0.29624897796985 15.999 > 2 32 O 0.19040758150769 0.55511500313763 0.79624897796985 15.999 > 2 33 O 0.19040758150769 0.44488499686237 0.04624897796985 15.999 > 3 34 O 0.19040758150769 0.44488499686237 0.54624897796985 15.999 > 3 35 O 0.80959241849231 0.44488499686237 0.20375102203015 15.999 > 4 36 O 0.80959241849231 0.44488499686237 0.70375102203015 15.999 > 4 37 O 0.87622330100717 0.74150085258316 0.16677372863499 15.999 > 5 38 O 0.87622330100717 0.74150085258316 0.66677372863499 15.999 > 5 39 O 0.12377669899283 0.74150085258316 0.08322627136501 15.999 > 6 40 O 0.12377669899283 0.74150085258316 0.58322627136501 15.999 > 6 41 O 0.12377669899283 0.25849914741684 0.33322627136501 15.999 > 7 42 O 0.12377669899283 0.25849914741684 0.83322627136501 15.999 > 7 43 O 0.87622330100717 0.25849914741684 0.41677372863499 15.999 > 8 44 O 0.87622330100717 0.25849914741684 0.91677372863499 15.999 > 8 45 O 0.38200860234707 0.46114974119915 0.47666020814455 15.999 > 9 46 O 0.38200860234707 0.46114974119915 0.97666020814455 15.999 > 9 47 O 0.61799139765293 0.46114974119915 0.27333979185545 15.999 > 10 48 O 0.61799139765293 0.46114974119915 0.77333979185545 15.999 > 10 49 O 0.00000000000000 0.52815134403255 0.37500000000000 15.999 > 11 50 O 0.00000000000000 0.52815134403255 0.87500000000000 15.999 > 11 51 O 0.00000000000000 0.47184865596745 0.12500000000000 15.999 > 12 52 O 0.00000000000000 0.47184865596745 0.62500000000000 15.999 > 12 53 O 0.38200860234707 0.53885025880085 0.22666020814455 15.999 > 13 54 O 0.38200860234707 0.53885025880085 0.72666020814455 15.999 > 13 55 O 0.61799139765293 0.53885025880085 0.02333979185545 15.999 > 14 56 O 0.61799139765293 0.53885025880085 0.52333979185545 15.999 > 14 *57 Al 0.37937641749371 0.05931486490323 0.12069049753554 26.982 > 15 58 Al 0.37937641749371 0.05931486490323 0.62069049753554 26.982 > 15 59 Al 0.62062358250629 0.05931486490323 0.12930950246446 26.982 > 16 60 Al 0.62062358250629 0.05931486490323 0.62930950246446 26.982 > 16 61 Al 0.62062358250629 0.94068513509677 0.37930950246446 26.982 > 17 62 Al 0.62062358250629 0.94068513509677 0.87930950246446 26.982 > 17 63 Al 0.37937641749371 0.94068513509677 0.37069049753554 26.982 > 18 64 Al 0.37937641749371 0.94068513509677 0.87069049753554 26.982 > 18 *65 Al 0.83182976061975 0.91296546031398 0.10206927112998 26.982 > 19 66 Al 0.83182976061975 0.91296546031398 0.60206927112998 26.982 > 19 67 Al 0.16817023938025 0.91296546031398 0.14793072887002 26.982 > 20 68 Al 0.16817023938025 0.91296546031398 0.64793072887002 26.982 > 20 69 Al 0.16817023938025 0.08703453968602 0.39793072887002 26.982 > 21 70 Al 0.16817023938025 0.08703453968602 0.89793072887002 26.982 > 21 71 Al 0.83182976061975 0.08703453968602 0.35206927112998 26.982 > 22 72 Al 0.83182976061975 0.08703453968602 0.85206927112998 26.982 > 22 73 Al 0.87937641749371 0.55931486490323 0.12069049753554 26.982 > 15 74 Al 0.87937641749371 0.55931486490323 0.62069049753554 26.982 > 15 75 Al 0.12062358250629 0.55931486490323 0.12930950246446 26.982 > 16 76 Al 0.12062358250629 0.55931486490323 0.62930950246446 26.982 > 16 77 Al 0.12062358250629 0.44068513509677 0.37930950246446 26.982 > 17 78 Al 0.12062358250629 0.44068513509677 0.87930950246446 26.982 > 17 79 Al 0.87937641749371 0.44068513509677 0.37069049753554 26.982 > 18 80 Al 0.87937641749371 0.44068513509677 0.87069049753554 26.982 > 18 81 Al 0.33182976061975 0.41296546031398 0.10206927112998 26.982 > 19 82 Al 0.33182976061975 0.41296546031398 0.60206927112998 26.982 > 19 83 Al 0.66817023938025 0.41296546031398 0.14793072887002 26.982 > 20 84 Al 0.66817023938025 0.41296546031398 0.64793072887002 26.982 > 20 85 Al 0.66817023938025 0.58703453968602 0.39793072887002 26.982 > 21 86 Al 0.66817023938025 0.58703453968602 0.89793072887002 26.982 > 21 87 Al 0.33182976061975 0.58703453968602 0.35206927112998 26.982 > 22 88 Al 0.33182976061975 0.58703453968602 0.85206927112998 26.982 > 22 *89 Sr 0.50000000000000 0.68705010422799 0.12500000000000 87.620 > 23 90 Sr 0.50000000000000 0.68705010422799 0.62500000000000 87.620 > 23 91 Sr 0.50000000000000 0.31294989577201 0.37500000000000 87.620 > 24 92 Sr 0.50000000000000 0.31294989577201 0.87500000000000 87.620 > 24 93 Sr 0.00000000000000 0.18705010422799 0.12500000000000 87.620 > 23 94 Sr 0.00000000000000 0.18705010422799 0.62500000000000 87.620 > 23 95 Sr 0.00000000000000 0.81294989577201 0.37500000000000 87.620 > 24 96 Sr 0.00000000000000 0.81294989577201 0.87500000000000 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7953851 0.0000000 0.0455297 0.0000000 2.7984742 0.0000000 0.0455284 0.0000000 2.9042083 -------------------------- Born effective charges -------------------------- 1 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 2 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 3 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 4 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 5 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 6 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 7 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 8 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 9 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 10 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 11 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 12 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 13 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 14 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 15 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 16 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 17 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 18 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 19 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 20 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 21 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 22 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 23 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 24 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 ---------------------------------------------------------------------------- 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: 12816/12816 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) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 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) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 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, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), 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: 0.716 Solver_block: 200 / 720 - Time: 0.558 Solver_block: 300 / 720 - Time: 0.559 Solver_block: 400 / 720 - Time: 0.560 Solver_block: 500 / 720 - Time: 0.558 Solver_block: 600 / 720 - Time: 0.557 Solver_block: 700 / 720 - Time: 0.556 Solver_block: 720 / 720 - Time: 0.205 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.377 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 288/288 Permutation basis: 12816/12816 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) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 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) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 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, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), 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 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:47:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:47:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.546144640000119 -4.525153150000000 0.000000000000000 b 6.546144640000119 4.525153150000000 0.000000000000000 c -1.582167973741610 0.000000000000000 5.318698775464870 Atomic positions (fractional): 1 O 0.25447741535468 0.36470742162994 0.90750204406029 15.999 2 O 0.63529257837006 0.74552258464532 0.59249795593971 15.999 3 O 0.74552258464532 0.63529257837006 0.09249795593971 15.999 4 O 0.36470742162994 0.25447741535468 0.40750204406029 15.999 5 O 0.13472244842400 0.61772415359033 0.33354745726999 15.999 6 O 0.38227584640967 0.86527755157599 0.16645254273001 15.999 7 O 0.86527755157599 0.38227584640967 0.66645254273001 15.999 8 O 0.61772415359033 0.13472244842401 0.83354745726999 15.999 9 O 0.92085886114793 0.84315834354622 0.95332041628910 15.999 10 O 0.15684165645378 0.07914113885207 0.54667958371090 15.999 11 O 0.47184865596745 0.52815134403255 0.75000000000000 15.999 12 O 0.52815134403255 0.47184865596745 0.25000000000000 15.999 13 O 0.84315834354622 0.92085886114793 0.45332041628910 15.999 14 O 0.07914113885207 0.15684165645378 0.04667958371090 15.999 15 Al 0.32006155259048 0.43869128239694 0.24138099507108 26.982 16 Al 0.56130871760306 0.67993844740952 0.25861900492892 26.982 17 Al 0.67993844740952 0.56130871760306 0.75861900492892 26.982 18 Al 0.43869128239694 0.32006155259048 0.74138099507108 26.982 19 Al 0.91886430030577 0.74479522093373 0.20413854225996 26.982 20 Al 0.25520477906627 0.08113569969423 0.29586145774004 26.982 21 Al 0.08113569969423 0.25520477906627 0.79586145774004 26.982 22 Al 0.74479522093373 0.91886430030577 0.70413854225996 26.982 23 Sr 0.81294989577201 0.18705010422799 0.25000000000000 87.620 24 Sr 0.18705010422799 0.81294989577201 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.092289280000237 0.000000000000000 0.000000000000000 b 0.000000000000000 9.050306299999999 0.000000000000000 c -3.164335947483220 0.000000000000000 10.637397550929739 Atomic positions (fractional): 1 O 0.30959241849231 0.05511500313763 0.45375102203015 15.999 > 1 2 O 0.30959241849231 0.05511500313763 0.95375102203015 15.999 > 1 3 O 0.69040758150769 0.05511500313763 0.29624897796985 15.999 > 3 4 O 0.69040758150769 0.05511500313763 0.79624897796985 15.999 > 3 5 O 0.69040758150769 0.94488499686237 0.04624897796985 15.999 > 5 6 O 0.69040758150769 0.94488499686237 0.54624897796985 15.999 > 5 7 O 0.30959241849231 0.94488499686237 0.20375102203015 15.999 > 7 8 O 0.30959241849231 0.94488499686237 0.70375102203015 15.999 > 7 9 O 0.37622330100717 0.24150085258316 0.16677372863499 15.999 > 9 10 O 0.37622330100717 0.24150085258316 0.66677372863499 15.999 > 9 11 O 0.62377669899283 0.24150085258316 0.08322627136501 15.999 > 11 12 O 0.62377669899283 0.24150085258316 0.58322627136501 15.999 > 11 13 O 0.62377669899283 0.75849914741684 0.33322627136501 15.999 > 13 14 O 0.62377669899283 0.75849914741684 0.83322627136501 15.999 > 13 15 O 0.37622330100717 0.75849914741684 0.41677372863499 15.999 > 15 16 O 0.37622330100717 0.75849914741684 0.91677372863499 15.999 > 15 17 O 0.88200860234707 0.96114974119915 0.47666020814455 15.999 > 17 18 O 0.88200860234707 0.96114974119915 0.97666020814455 15.999 > 17 19 O 0.11799139765293 0.96114974119915 0.27333979185545 15.999 > 19 20 O 0.11799139765293 0.96114974119915 0.77333979185545 15.999 > 19 21 O 0.50000000000000 0.02815134403255 0.37500000000000 15.999 > 21 22 O 0.50000000000000 0.02815134403255 0.87500000000000 15.999 > 21 23 O 0.50000000000000 0.97184865596745 0.12500000000000 15.999 > 23 24 O 0.50000000000000 0.97184865596745 0.62500000000000 15.999 > 23 25 O 0.88200860234707 0.03885025880085 0.22666020814455 15.999 > 25 26 O 0.88200860234707 0.03885025880085 0.72666020814455 15.999 > 25 27 O 0.11799139765293 0.03885025880085 0.02333979185545 15.999 > 27 28 O 0.11799139765293 0.03885025880085 0.52333979185545 15.999 > 27 29 O 0.80959241849231 0.55511500313763 0.45375102203015 15.999 > 1 30 O 0.80959241849231 0.55511500313763 0.95375102203015 15.999 > 1 31 O 0.19040758150769 0.55511500313763 0.29624897796985 15.999 > 3 32 O 0.19040758150769 0.55511500313763 0.79624897796985 15.999 > 3 33 O 0.19040758150769 0.44488499686237 0.04624897796985 15.999 > 5 34 O 0.19040758150769 0.44488499686237 0.54624897796985 15.999 > 5 35 O 0.80959241849231 0.44488499686237 0.20375102203015 15.999 > 7 36 O 0.80959241849231 0.44488499686237 0.70375102203015 15.999 > 7 37 O 0.87622330100717 0.74150085258316 0.16677372863499 15.999 > 9 38 O 0.87622330100717 0.74150085258316 0.66677372863499 15.999 > 9 39 O 0.12377669899283 0.74150085258316 0.08322627136501 15.999 > 11 40 O 0.12377669899283 0.74150085258316 0.58322627136501 15.999 > 11 41 O 0.12377669899283 0.25849914741684 0.33322627136501 15.999 > 13 42 O 0.12377669899283 0.25849914741684 0.83322627136501 15.999 > 13 43 O 0.87622330100717 0.25849914741684 0.41677372863499 15.999 > 15 44 O 0.87622330100717 0.25849914741684 0.91677372863499 15.999 > 15 45 O 0.38200860234707 0.46114974119915 0.47666020814455 15.999 > 17 46 O 0.38200860234707 0.46114974119915 0.97666020814455 15.999 > 17 47 O 0.61799139765293 0.46114974119915 0.27333979185545 15.999 > 19 48 O 0.61799139765293 0.46114974119915 0.77333979185545 15.999 > 19 49 O 0.00000000000000 0.52815134403255 0.37500000000000 15.999 > 21 50 O 0.00000000000000 0.52815134403255 0.87500000000000 15.999 > 21 51 O 0.00000000000000 0.47184865596745 0.12500000000000 15.999 > 23 52 O 0.00000000000000 0.47184865596745 0.62500000000000 15.999 > 23 53 O 0.38200860234707 0.53885025880085 0.22666020814455 15.999 > 25 54 O 0.38200860234707 0.53885025880085 0.72666020814455 15.999 > 25 55 O 0.61799139765293 0.53885025880085 0.02333979185545 15.999 > 27 56 O 0.61799139765293 0.53885025880085 0.52333979185545 15.999 > 27 57 Al 0.37937641749371 0.05931486490323 0.12069049753554 26.982 > 57 58 Al 0.37937641749371 0.05931486490323 0.62069049753554 26.982 > 57 59 Al 0.62062358250629 0.05931486490323 0.12930950246446 26.982 > 59 60 Al 0.62062358250629 0.05931486490323 0.62930950246446 26.982 > 59 61 Al 0.62062358250629 0.94068513509677 0.37930950246446 26.982 > 61 62 Al 0.62062358250629 0.94068513509677 0.87930950246446 26.982 > 61 63 Al 0.37937641749371 0.94068513509677 0.37069049753554 26.982 > 63 64 Al 0.37937641749371 0.94068513509677 0.87069049753554 26.982 > 63 65 Al 0.83182976061975 0.91296546031398 0.10206927112998 26.982 > 65 66 Al 0.83182976061975 0.91296546031398 0.60206927112998 26.982 > 65 67 Al 0.16817023938025 0.91296546031398 0.14793072887002 26.982 > 67 68 Al 0.16817023938025 0.91296546031398 0.64793072887002 26.982 > 67 69 Al 0.16817023938025 0.08703453968602 0.39793072887002 26.982 > 69 70 Al 0.16817023938025 0.08703453968602 0.89793072887002 26.982 > 69 71 Al 0.83182976061975 0.08703453968602 0.35206927112998 26.982 > 71 72 Al 0.83182976061975 0.08703453968602 0.85206927112998 26.982 > 71 73 Al 0.87937641749371 0.55931486490323 0.12069049753554 26.982 > 57 74 Al 0.87937641749371 0.55931486490323 0.62069049753554 26.982 > 57 75 Al 0.12062358250629 0.55931486490323 0.12930950246446 26.982 > 59 76 Al 0.12062358250629 0.55931486490323 0.62930950246446 26.982 > 59 77 Al 0.12062358250629 0.44068513509677 0.37930950246446 26.982 > 61 78 Al 0.12062358250629 0.44068513509677 0.87930950246446 26.982 > 61 79 Al 0.87937641749371 0.44068513509677 0.37069049753554 26.982 > 63 80 Al 0.87937641749371 0.44068513509677 0.87069049753554 26.982 > 63 81 Al 0.33182976061975 0.41296546031398 0.10206927112998 26.982 > 65 82 Al 0.33182976061975 0.41296546031398 0.60206927112998 26.982 > 65 83 Al 0.66817023938025 0.41296546031398 0.14793072887002 26.982 > 67 84 Al 0.66817023938025 0.41296546031398 0.64793072887002 26.982 > 67 85 Al 0.66817023938025 0.58703453968602 0.39793072887002 26.982 > 69 86 Al 0.66817023938025 0.58703453968602 0.89793072887002 26.982 > 69 87 Al 0.33182976061975 0.58703453968602 0.35206927112998 26.982 > 71 88 Al 0.33182976061975 0.58703453968602 0.85206927112998 26.982 > 71 89 Sr 0.50000000000000 0.68705010422799 0.12500000000000 87.620 > 89 90 Sr 0.50000000000000 0.68705010422799 0.62500000000000 87.620 > 89 91 Sr 0.50000000000000 0.31294989577201 0.37500000000000 87.620 > 91 92 Sr 0.50000000000000 0.31294989577201 0.87500000000000 87.620 > 91 93 Sr 0.00000000000000 0.18705010422799 0.12500000000000 87.620 > 89 94 Sr 0.00000000000000 0.18705010422799 0.62500000000000 87.620 > 89 95 Sr 0.00000000000000 0.81294989577201 0.37500000000000 87.620 > 91 96 Sr 0.00000000000000 0.81294989577201 0.87500000000000 87.620 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7953851 0.0000000 0.0455297 0.0000000 2.7984742 0.0000000 0.0455284 0.0000000 2.9042083 -------------------------- Born effective charges -------------------------- 1 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 2 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 3 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 4 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 5 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 6 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 7 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 8 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 9 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 10 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 11 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 12 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 13 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 14 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 15 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 16 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 17 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 18 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 19 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 20 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 21 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 22 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 23 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 24 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000027 (yyy) -0.00000027 (yyy) -0.00000027 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:47:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:47:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.546144640000119 -4.525153150000000 0.000000000000000 b 6.546144640000119 4.525153150000000 0.000000000000000 c -1.582167973741610 0.000000000000000 5.318698775464870 Atomic positions (fractional): 1 O 0.25447741535468 0.36470742162994 0.90750204406029 15.999 2 O 0.63529257837006 0.74552258464532 0.59249795593971 15.999 3 O 0.74552258464532 0.63529257837006 0.09249795593971 15.999 4 O 0.36470742162994 0.25447741535468 0.40750204406029 15.999 5 O 0.13472244842400 0.61772415359033 0.33354745726999 15.999 6 O 0.38227584640967 0.86527755157599 0.16645254273001 15.999 7 O 0.86527755157599 0.38227584640967 0.66645254273001 15.999 8 O 0.61772415359033 0.13472244842401 0.83354745726999 15.999 9 O 0.92085886114793 0.84315834354622 0.95332041628910 15.999 10 O 0.15684165645378 0.07914113885207 0.54667958371090 15.999 11 O 0.47184865596745 0.52815134403255 0.75000000000000 15.999 12 O 0.52815134403255 0.47184865596745 0.25000000000000 15.999 13 O 0.84315834354622 0.92085886114793 0.45332041628910 15.999 14 O 0.07914113885207 0.15684165645378 0.04667958371090 15.999 15 Al 0.32006155259048 0.43869128239694 0.24138099507108 26.982 16 Al 0.56130871760306 0.67993844740952 0.25861900492892 26.982 17 Al 0.67993844740952 0.56130871760306 0.75861900492892 26.982 18 Al 0.43869128239694 0.32006155259048 0.74138099507108 26.982 19 Al 0.91886430030577 0.74479522093373 0.20413854225996 26.982 20 Al 0.25520477906627 0.08113569969423 0.29586145774004 26.982 21 Al 0.08113569969423 0.25520477906627 0.79586145774004 26.982 22 Al 0.74479522093373 0.91886430030577 0.70413854225996 26.982 23 Sr 0.81294989577201 0.18705010422799 0.25000000000000 87.620 24 Sr 0.18705010422799 0.81294989577201 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.092289280000237 0.000000000000000 0.000000000000000 b 0.000000000000000 9.050306299999999 0.000000000000000 c -3.164335947483220 0.000000000000000 10.637397550929739 Atomic positions (fractional): 1 O 0.30959241849231 0.05511500313763 0.45375102203015 15.999 > 1 2 O 0.30959241849231 0.05511500313763 0.95375102203015 15.999 > 1 3 O 0.69040758150769 0.05511500313763 0.29624897796985 15.999 > 3 4 O 0.69040758150769 0.05511500313763 0.79624897796985 15.999 > 3 5 O 0.69040758150769 0.94488499686237 0.04624897796985 15.999 > 5 6 O 0.69040758150769 0.94488499686237 0.54624897796985 15.999 > 5 7 O 0.30959241849231 0.94488499686237 0.20375102203015 15.999 > 7 8 O 0.30959241849231 0.94488499686237 0.70375102203015 15.999 > 7 9 O 0.37622330100717 0.24150085258316 0.16677372863499 15.999 > 9 10 O 0.37622330100717 0.24150085258316 0.66677372863499 15.999 > 9 11 O 0.62377669899283 0.24150085258316 0.08322627136501 15.999 > 11 12 O 0.62377669899283 0.24150085258316 0.58322627136501 15.999 > 11 13 O 0.62377669899283 0.75849914741684 0.33322627136501 15.999 > 13 14 O 0.62377669899283 0.75849914741684 0.83322627136501 15.999 > 13 15 O 0.37622330100717 0.75849914741684 0.41677372863499 15.999 > 15 16 O 0.37622330100717 0.75849914741684 0.91677372863499 15.999 > 15 17 O 0.88200860234707 0.96114974119915 0.47666020814455 15.999 > 17 18 O 0.88200860234707 0.96114974119915 0.97666020814455 15.999 > 17 19 O 0.11799139765293 0.96114974119915 0.27333979185545 15.999 > 19 20 O 0.11799139765293 0.96114974119915 0.77333979185545 15.999 > 19 21 O 0.50000000000000 0.02815134403255 0.37500000000000 15.999 > 21 22 O 0.50000000000000 0.02815134403255 0.87500000000000 15.999 > 21 23 O 0.50000000000000 0.97184865596745 0.12500000000000 15.999 > 23 24 O 0.50000000000000 0.97184865596745 0.62500000000000 15.999 > 23 25 O 0.88200860234707 0.03885025880085 0.22666020814455 15.999 > 25 26 O 0.88200860234707 0.03885025880085 0.72666020814455 15.999 > 25 27 O 0.11799139765293 0.03885025880085 0.02333979185545 15.999 > 27 28 O 0.11799139765293 0.03885025880085 0.52333979185545 15.999 > 27 29 O 0.80959241849231 0.55511500313763 0.45375102203015 15.999 > 1 30 O 0.80959241849231 0.55511500313763 0.95375102203015 15.999 > 1 31 O 0.19040758150769 0.55511500313763 0.29624897796985 15.999 > 3 32 O 0.19040758150769 0.55511500313763 0.79624897796985 15.999 > 3 33 O 0.19040758150769 0.44488499686237 0.04624897796985 15.999 > 5 34 O 0.19040758150769 0.44488499686237 0.54624897796985 15.999 > 5 35 O 0.80959241849231 0.44488499686237 0.20375102203015 15.999 > 7 36 O 0.80959241849231 0.44488499686237 0.70375102203015 15.999 > 7 37 O 0.87622330100717 0.74150085258316 0.16677372863499 15.999 > 9 38 O 0.87622330100717 0.74150085258316 0.66677372863499 15.999 > 9 39 O 0.12377669899283 0.74150085258316 0.08322627136501 15.999 > 11 40 O 0.12377669899283 0.74150085258316 0.58322627136501 15.999 > 11 41 O 0.12377669899283 0.25849914741684 0.33322627136501 15.999 > 13 42 O 0.12377669899283 0.25849914741684 0.83322627136501 15.999 > 13 43 O 0.87622330100717 0.25849914741684 0.41677372863499 15.999 > 15 44 O 0.87622330100717 0.25849914741684 0.91677372863499 15.999 > 15 45 O 0.38200860234707 0.46114974119915 0.47666020814455 15.999 > 17 46 O 0.38200860234707 0.46114974119915 0.97666020814455 15.999 > 17 47 O 0.61799139765293 0.46114974119915 0.27333979185545 15.999 > 19 48 O 0.61799139765293 0.46114974119915 0.77333979185545 15.999 > 19 49 O 0.00000000000000 0.52815134403255 0.37500000000000 15.999 > 21 50 O 0.00000000000000 0.52815134403255 0.87500000000000 15.999 > 21 51 O 0.00000000000000 0.47184865596745 0.12500000000000 15.999 > 23 52 O 0.00000000000000 0.47184865596745 0.62500000000000 15.999 > 23 53 O 0.38200860234707 0.53885025880085 0.22666020814455 15.999 > 25 54 O 0.38200860234707 0.53885025880085 0.72666020814455 15.999 > 25 55 O 0.61799139765293 0.53885025880085 0.02333979185545 15.999 > 27 56 O 0.61799139765293 0.53885025880085 0.52333979185545 15.999 > 27 57 Al 0.37937641749371 0.05931486490323 0.12069049753554 26.982 > 57 58 Al 0.37937641749371 0.05931486490323 0.62069049753554 26.982 > 57 59 Al 0.62062358250629 0.05931486490323 0.12930950246446 26.982 > 59 60 Al 0.62062358250629 0.05931486490323 0.62930950246446 26.982 > 59 61 Al 0.62062358250629 0.94068513509677 0.37930950246446 26.982 > 61 62 Al 0.62062358250629 0.94068513509677 0.87930950246446 26.982 > 61 63 Al 0.37937641749371 0.94068513509677 0.37069049753554 26.982 > 63 64 Al 0.37937641749371 0.94068513509677 0.87069049753554 26.982 > 63 65 Al 0.83182976061975 0.91296546031398 0.10206927112998 26.982 > 65 66 Al 0.83182976061975 0.91296546031398 0.60206927112998 26.982 > 65 67 Al 0.16817023938025 0.91296546031398 0.14793072887002 26.982 > 67 68 Al 0.16817023938025 0.91296546031398 0.64793072887002 26.982 > 67 69 Al 0.16817023938025 0.08703453968602 0.39793072887002 26.982 > 69 70 Al 0.16817023938025 0.08703453968602 0.89793072887002 26.982 > 69 71 Al 0.83182976061975 0.08703453968602 0.35206927112998 26.982 > 71 72 Al 0.83182976061975 0.08703453968602 0.85206927112998 26.982 > 71 73 Al 0.87937641749371 0.55931486490323 0.12069049753554 26.982 > 57 74 Al 0.87937641749371 0.55931486490323 0.62069049753554 26.982 > 57 75 Al 0.12062358250629 0.55931486490323 0.12930950246446 26.982 > 59 76 Al 0.12062358250629 0.55931486490323 0.62930950246446 26.982 > 59 77 Al 0.12062358250629 0.44068513509677 0.37930950246446 26.982 > 61 78 Al 0.12062358250629 0.44068513509677 0.87930950246446 26.982 > 61 79 Al 0.87937641749371 0.44068513509677 0.37069049753554 26.982 > 63 80 Al 0.87937641749371 0.44068513509677 0.87069049753554 26.982 > 63 81 Al 0.33182976061975 0.41296546031398 0.10206927112998 26.982 > 65 82 Al 0.33182976061975 0.41296546031398 0.60206927112998 26.982 > 65 83 Al 0.66817023938025 0.41296546031398 0.14793072887002 26.982 > 67 84 Al 0.66817023938025 0.41296546031398 0.64793072887002 26.982 > 67 85 Al 0.66817023938025 0.58703453968602 0.39793072887002 26.982 > 69 86 Al 0.66817023938025 0.58703453968602 0.89793072887002 26.982 > 69 87 Al 0.33182976061975 0.58703453968602 0.35206927112998 26.982 > 71 88 Al 0.33182976061975 0.58703453968602 0.85206927112998 26.982 > 71 89 Sr 0.50000000000000 0.68705010422799 0.12500000000000 87.620 > 89 90 Sr 0.50000000000000 0.68705010422799 0.62500000000000 87.620 > 89 91 Sr 0.50000000000000 0.31294989577201 0.37500000000000 87.620 > 91 92 Sr 0.50000000000000 0.31294989577201 0.87500000000000 87.620 > 91 93 Sr 0.00000000000000 0.18705010422799 0.12500000000000 87.620 > 89 94 Sr 0.00000000000000 0.18705010422799 0.62500000000000 87.620 > 89 95 Sr 0.00000000000000 0.81294989577201 0.37500000000000 87.620 > 91 96 Sr 0.00000000000000 0.81294989577201 0.87500000000000 87.620 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7953851 0.0000000 0.0455297 0.0000000 2.7984742 0.0000000 0.0455284 0.0000000 2.9042083 -------------------------- Born effective charges -------------------------- 1 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 2 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 3 O -2.0758904 0.3004970 -0.1351748 0.2750408 -1.3486996 -0.1886009 -0.1549067 -0.1594358 -1.9945421 4 O -2.0758904 -0.3004970 -0.1351748 -0.2750408 -1.3486996 0.1886009 -0.1549067 0.1594358 -1.9945421 5 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 6 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 7 O -1.3128828 0.1286747 -0.1949875 0.1600456 -2.3598295 -0.0347707 -0.2005107 -0.0149922 -1.7323953 8 O -1.3128828 -0.1286747 -0.1949875 -0.1600456 -2.3598295 0.0347707 -0.2005107 0.0149922 -1.7323953 9 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 10 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 11 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 12 O -2.0820644 0.0000000 -0.0845223 0.0000000 -1.6955678 0.0000000 -0.0363200 0.0000000 -1.7475157 13 O -1.7276167 -0.0071385 0.2353341 -0.0182729 -1.6323309 -0.2162474 0.2258912 -0.2142773 -2.0608327 14 O -1.7276167 0.0071385 0.2353341 0.0182729 -1.6323309 0.2162474 0.2258912 0.2142773 -2.0608327 15 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 16 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 17 Al 2.6071690 -0.0416468 0.0243001 -0.0548760 2.4777226 0.0237997 0.0086095 -0.0585237 2.7710407 18 Al 2.6071690 0.0416468 0.0243001 0.0548760 2.4777226 -0.0237997 0.0086095 0.0585237 2.7710407 19 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 20 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 21 Al 2.4710704 -0.1260280 0.0689723 -0.0955340 2.4590999 -0.1147291 0.0925458 -0.0515730 2.6069883 22 Al 2.4710704 0.1260280 0.0689723 0.0955340 2.4590999 0.1147291 0.0925458 0.0515730 2.6069883 23 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 24 Sr 2.1583656 0.0000000 0.0876339 0.0000000 2.5036428 0.0000000 0.0930618 0.0000000 2.5669978 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000027 (yyy) -0.00000027 (yyy) -0.00000027 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 7 7 9 ] 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: 0.61, Number of G-points: 319, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 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 2.898 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.619 ( 0.000 0.000 0.000) 0.000 12.652 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 16.032 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.334 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 19.044 ( 0.000 0.000 0.000) 0.000 19.250 ( 0.000 0.000 0.000) 0.000 19.393 ( 0.000 0.000 0.000) 0.000 19.830 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 20.033 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 21.423 ( 0.000 0.000 0.000) 0.000 21.864 ( 0.000 0.000 0.000) 0.000 22.237 ( 0.000 0.000 0.000) 0.000 22.348 ( 0.000 0.000 0.000) 0.000 23.219 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 24.312 ( 0.000 0.000 0.000) 0.000 24.591 ( 0.000 0.000 0.000) 0.000 25.339 ( 0.000 0.000 0.000) 0.000 25.509 ( 0.000 0.000 0.000) 0.000 26.000 ( 0.000 0.000 0.000) 0.000 27.173 ( 0.000 0.000 0.000) 0.000 27.229 ( 0.000 0.000 0.000) 0.000 28.160 ( 0.000 0.000 0.000) 0.000 28.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 31.421 -21.945 -6.150) 38.816 0.842 ( 28.861 -29.305 15.475) 43.946 1.423 ( 20.569 -69.208 13.230) 73.402 2.993 ( 1.677 -9.511 0.306) 9.662 3.209 ( 1.921 2.730 0.076) 3.339 3.296 ( -18.573 0.545 1.009) 18.608 3.509 ( -6.564 6.293 13.840) 16.560 3.789 ( 19.578 1.992 -17.183) 26.125 4.154 ( 2.556 6.906 14.253) 16.043 4.353 ( 1.453 3.196 1.236) 3.722 4.758 ( -5.930 -3.638 0.127) 6.958 4.893 ( -11.141 -5.463 2.777) 12.715 5.111 ( -9.808 -7.530 -0.622) 12.380 5.175 ( -8.071 2.945 8.331) 11.967 5.372 ( -13.793 2.343 -9.187) 16.737 5.484 ( -4.047 5.788 5.019) 8.665 5.717 ( 10.624 -4.821 8.849) 14.643 5.975 ( 1.032 3.046 -1.225) 3.441 6.334 ( 3.005 -0.095 0.035) 3.007 6.820 ( 1.694 22.373 0.042) 22.437 6.915 ( 3.893 9.228 3.766) 10.700 7.246 ( -0.304 5.788 5.384) 7.910 7.646 ( -3.020 -15.287 -4.401) 16.192 8.011 ( 24.529 16.383 5.199) 29.952 8.519 ( 4.792 -1.905 2.488) 5.726 8.803 ( 0.972 0.302 -3.505) 3.649 8.871 ( -4.159 2.837 -3.056) 5.889 8.994 ( -1.372 9.250 -0.951) 9.400 9.214 ( 13.953 -7.978 -8.441) 18.154 9.750 ( -3.552 3.529 6.753) 8.407 10.026 ( 1.499 -3.484 -2.430) 4.504 10.093 ( -7.634 -16.882 14.724) 23.666 10.267 ( 12.734 -3.396 -20.700) 24.540 11.018 ( -10.994 -0.122 4.307) 11.808 11.263 ( -3.601 6.583 8.730) 11.512 11.285 ( -2.580 5.146 0.338) 5.766 11.467 ( -3.437 9.665 10.433) 14.631 11.660 ( 11.930 0.158 -6.146) 13.421 12.031 ( -0.440 10.832 -4.431) 11.712 12.513 ( -4.256 1.014 -3.827) 5.813 12.675 ( 8.133 -5.744 0.305) 9.961 13.052 ( -13.675 -15.455 6.931) 21.769 15.606 ( -18.430 -21.303 -11.035) 30.253 16.115 ( -10.190 14.934 14.187) 22.981 16.277 ( -1.866 0.315 1.502) 2.416 16.995 ( 23.940 2.664 9.513) 25.898 17.075 ( 12.161 1.563 15.241) 19.561 17.959 ( -0.534 0.916 -4.930) 5.042 18.331 ( 4.275 4.636 -11.678) 13.272 18.903 ( -7.241 -2.427 -6.991) 10.354 18.963 ( -1.532 7.317 -1.608) 7.647 19.220 ( -1.469 1.877 -3.998) 4.655 19.399 ( -0.571 -0.477 1.543) 1.713 19.859 ( -1.786 2.007 15.002) 15.240 19.947 ( -0.445 3.105 3.770) 4.904 20.161 ( -1.486 -8.446 4.551) 9.708 20.753 ( 0.753 -2.187 0.124) 2.316 21.492 ( -17.018 -3.665 -4.335) 17.940 21.889 ( -4.571 -4.342 -0.201) 6.308 22.233 ( 3.210 3.151 0.492) 4.525 23.227 ( 27.983 17.597 5.065) 33.441 23.346 ( 57.267 33.756 14.454) 68.029 24.294 ( 0.607 1.506 -2.433) 2.925 24.315 ( -0.371 -0.375 1.068) 1.191 24.614 ( -0.854 -2.920 1.943) 3.610 25.423 ( -3.484 5.513 -1.714) 6.743 25.632 ( -0.137 -2.185 2.007) 2.970 26.106 ( 12.117 4.756 -2.589) 13.272 27.238 ( 0.074 -1.129 0.103) 1.136 27.992 ( -16.615 1.334 -5.867) 17.670 28.443 ( 16.811 0.098 5.087) 17.564 29.288 ( -63.863 -45.251 -25.779) 82.406 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 31.617 -16.920 -7.723) 36.682 1.638 ( 25.269 -27.338 13.911) 39.742 2.560 ( 0.769 -39.761 16.375) 43.008 3.037 ( -20.673 -2.377 4.582) 21.308 3.152 ( -2.475 -2.458 -5.047) 6.135 3.182 ( 2.089 2.917 -1.692) 3.966 3.476 ( 6.906 -8.623 11.559) 15.989 3.916 ( 15.323 1.240 -11.304) 19.081 4.109 ( -2.866 1.050 5.984) 6.718 4.371 ( 3.970 -1.834 2.197) 4.894 4.722 ( -11.473 -1.032 0.411) 11.526 4.834 ( -7.843 4.375 3.196) 9.532 4.942 ( -8.895 -3.070 -18.139) 20.435 5.153 ( -9.993 -1.116 -6.228) 11.827 5.315 ( -3.275 -5.644 12.532) 14.129 5.389 ( 0.550 1.242 3.966) 4.192 5.726 ( -0.964 9.991 -9.677) 13.942 6.061 ( 5.178 -9.751 1.815) 11.188 6.322 ( 3.779 14.713 -0.389) 15.196 6.479 ( -0.863 9.798 -2.563) 10.165 6.811 ( 6.379 14.814 10.698) 19.354 7.070 ( -3.225 14.420 2.844) 15.048 7.906 ( -3.408 -19.986 -2.310) 20.405 8.035 ( 15.408 10.131 9.402) 20.699 8.502 ( -6.886 10.268 -13.249) 18.121 8.639 ( 1.210 4.582 6.224) 7.823 8.900 ( 4.687 -5.946 4.812) 8.971 9.015 ( 3.784 -3.258 -4.938) 7.022 9.333 ( 11.682 11.103 -7.026) 17.581 9.711 ( -9.127 -7.264 4.620) 12.546 10.102 ( 4.006 -2.984 0.890) 5.073 10.354 ( -4.832 -16.981 17.722) 25.016 10.440 ( 10.472 -9.527 -23.624) 27.541 10.903 ( -11.758 2.088 2.423) 12.186 11.118 ( -6.195 7.941 7.349) 12.468 11.139 ( -1.882 4.807 2.633) 5.795 11.303 ( -2.029 9.142 3.789) 10.101 11.779 ( 7.917 -2.351 -10.744) 13.551 11.898 ( 1.279 5.708 3.098) 6.620 12.366 ( -1.618 9.768 -4.215) 10.760 12.813 ( -1.691 -8.050 -7.055) 10.837 13.216 ( -3.394 -11.551 10.335) 15.867 15.749 ( -5.589 -16.241 -5.524) 18.042 15.873 ( -7.572 7.012 6.052) 11.963 16.268 ( -1.789 -0.691 0.948) 2.139 16.863 ( -1.370 14.786 7.356) 16.572 17.511 ( 23.325 -5.554 9.631) 25.840 17.969 ( 5.314 -3.403 -1.759) 6.551 18.233 ( -1.621 4.617 -9.742) 10.902 18.773 ( -7.203 6.039 -3.291) 9.959 18.884 ( 1.768 2.327 0.530) 2.970 19.147 ( -0.742 2.015 -9.571) 9.808 19.385 ( -3.216 1.581 5.193) 6.309 19.853 ( 0.130 1.004 2.444) 2.646 19.930 ( -0.322 0.566 3.390) 3.452 20.279 ( -1.493 -6.147 6.408) 9.004 20.807 ( 1.065 -3.021 -0.375) 3.225 21.317 ( -10.165 3.920 -4.750) 11.885 21.918 ( -3.352 -4.606 0.247) 5.702 22.208 ( 3.572 4.778 0.538) 5.990 23.296 ( 13.284 4.585 1.919) 14.183 23.494 ( 21.954 7.492 5.862) 23.926 24.267 ( 0.249 1.501 -1.245) 1.966 24.321 ( -0.464 -0.520 0.932) 1.164 24.669 ( -0.859 -4.060 2.485) 4.837 25.285 ( -1.691 6.964 -1.788) 7.387 25.662 ( 1.668 0.073 1.010) 1.951 26.161 ( 4.714 -0.296 -0.685) 4.772 27.273 ( 1.146 -2.636 0.500) 2.917 27.762 ( -14.485 3.585 -5.034) 15.748 28.645 ( 17.753 0.716 5.954) 18.738 29.192 ( -32.601 -17.471 -13.083) 39.233 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 26.139 -9.714 -7.824) 28.962 2.301 ( 13.517 -17.657 11.836) 25.191 2.524 ( -22.683 -1.294 7.937) 24.066 2.876 ( -7.276 18.659 -5.619) 20.800 3.084 ( -0.771 -1.977 4.771) 5.222 3.326 ( -0.851 -9.160 -1.917) 9.397 3.898 ( 3.384 -14.415 7.374) 16.541 3.983 ( 8.788 3.310 -8.136) 12.425 4.164 ( 4.467 -3.882 5.811) 8.294 4.435 ( -3.059 1.108 -2.239) 3.950 4.689 ( -2.091 -15.015 -4.607) 15.844 4.715 ( -2.371 2.239 -0.904) 3.384 4.872 ( -6.652 -4.533 -3.264) 8.686 5.066 ( -2.563 -0.454 3.445) 4.318 5.321 ( 1.174 18.293 -3.167) 18.603 5.437 ( 1.365 -5.620 4.599) 7.390 5.569 ( -2.602 0.160 -2.508) 3.617 5.989 ( -0.613 14.460 -0.676) 14.489 6.291 ( 0.766 -11.776 -3.071) 12.194 6.499 ( 2.055 -2.628 -2.907) 4.425 6.662 ( 2.283 9.397 7.343) 12.143 6.791 ( -3.061 15.454 2.618) 15.970 8.085 ( 4.943 1.368 13.660) 14.591 8.112 ( 0.888 -5.815 -5.715) 8.201 8.248 ( -4.377 5.011 -9.784) 11.832 8.662 ( 1.441 -3.134 1.148) 3.636 8.977 ( -4.154 2.154 1.850) 5.032 9.078 ( 2.111 -1.272 -2.355) 3.409 9.260 ( 9.392 5.113 -0.305) 10.698 9.742 ( -3.002 -2.901 0.532) 4.209 10.187 ( 2.687 -1.654 1.595) 3.535 10.478 ( -5.696 0.239 0.973) 5.784 10.667 ( 4.912 -16.874 -15.509) 23.439 10.815 ( -0.884 -0.822 7.593) 7.689 10.943 ( -4.956 10.262 8.710) 14.344 11.134 ( -0.529 -1.698 1.798) 2.529 11.161 ( -1.135 5.726 -0.932) 5.911 11.774 ( -0.379 1.121 -4.628) 4.776 11.945 ( 5.433 -1.371 4.759) 7.352 12.182 ( -2.521 6.934 -4.944) 8.882 12.867 ( -1.224 -3.176 -3.088) 4.595 13.352 ( -0.838 -4.508 4.096) 6.148 15.758 ( -4.174 0.806 1.203) 4.418 15.924 ( 1.372 -7.322 -1.558) 7.611 16.276 ( -1.480 -2.819 -0.531) 3.228 16.632 ( -0.861 12.162 4.586) 13.026 17.703 ( 3.947 -0.883 0.412) 4.065 18.108 ( 2.669 4.420 -1.996) 5.535 18.241 ( 9.734 -12.086 4.067) 16.043 18.558 ( -9.012 8.975 -3.975) 13.325 18.880 ( 0.156 0.479 0.414) 0.652 19.119 ( 2.694 -0.940 -8.365) 8.838 19.318 ( -4.109 2.665 5.604) 7.443 19.849 ( 0.205 0.267 0.157) 0.371 19.931 ( -0.147 0.062 1.049) 1.061 20.357 ( -0.485 -2.488 3.575) 4.383 20.855 ( 0.576 -1.749 -0.471) 1.900 21.161 ( -4.003 2.995 -2.431) 5.559 21.952 ( -1.533 -2.527 0.164) 2.960 22.174 ( 1.685 2.691 0.227) 3.183 23.358 ( 4.164 0.704 0.477) 4.251 23.599 ( 6.551 1.162 1.736) 6.876 24.250 ( 0.073 0.570 -0.378) 0.688 24.326 ( -0.264 -0.240 0.427) 0.556 24.725 ( -0.293 -2.313 1.252) 2.647 25.179 ( -0.460 3.552 -0.893) 3.691 25.675 ( 0.757 0.177 0.323) 0.842 26.202 ( 1.466 -0.480 -0.115) 1.547 27.355 ( 3.619 -3.742 1.318) 5.370 27.550 ( -8.890 4.331 -3.098) 10.363 28.837 ( 16.805 2.073 6.075) 17.990 29.053 ( -20.606 -6.782 -8.028) 23.131 ======================= Grid point 8 (5/128) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 27.189 0.000 18.148) 32.689 0.788 ( 33.855 0.000 7.367) 34.647 1.646 ( 65.918 0.000 23.015) 69.820 2.926 ( -0.007 -0.000 1.920) 1.920 3.052 ( -27.547 -0.000 4.257) 27.874 3.270 ( 4.667 0.000 1.593) 4.931 3.552 ( -4.411 -0.000 14.572) 15.225 3.914 ( 12.053 0.000 -22.883) 25.863 4.144 ( -9.334 -0.000 -4.433) 10.333 4.448 ( -10.210 -0.000 -6.356) 12.027 4.657 ( -7.683 -0.000 38.525) 39.284 4.760 ( -1.294 -0.000 1.425) 1.924 4.951 ( -20.015 -0.000 -19.957) 28.265 5.096 ( 2.197 0.000 11.562) 11.769 5.247 ( -6.795 -0.000 -10.130) 12.198 5.607 ( 3.182 0.000 6.543) 7.276 5.711 ( -1.264 -0.000 11.290) 11.360 6.050 ( 3.706 0.000 0.373) 3.725 6.352 ( 2.060 0.000 -2.295) 3.084 7.011 ( 2.964 0.000 0.352) 2.984 7.046 ( 3.824 0.000 -1.921) 4.279 7.397 ( -10.076 -0.000 -9.700) 13.986 7.409 ( 8.496 0.000 14.326) 16.656 8.384 ( -0.684 -0.000 15.589) 15.604 8.610 ( -9.502 -0.000 -7.760) 12.268 8.654 ( 16.436 0.000 -1.212) 16.481 9.038 ( -5.001 -0.000 -4.742) 6.892 9.079 ( -5.975 -0.000 2.431) 6.450 9.086 ( 13.605 0.000 -6.659) 15.147 9.849 ( -0.335 -0.000 15.084) 15.088 9.908 ( 1.718 0.000 -10.401) 10.542 9.985 ( 0.712 0.000 1.632) 1.781 10.333 ( 12.940 0.000 -23.010) 26.399 10.912 ( -10.339 -0.000 7.276) 12.643 11.261 ( -10.716 -0.000 5.254) 11.935 11.266 ( -3.597 -0.000 -6.232) 7.195 11.599 ( -10.236 -0.000 25.182) 27.183 11.729 ( 9.070 0.000 -11.743) 14.837 12.174 ( -9.361 -0.000 -7.950) 12.281 12.206 ( -9.561 -0.000 -10.637) 14.302 12.815 ( 4.600 0.000 10.994) 11.918 12.843 ( 7.872 0.000 4.122) 8.886 15.352 ( 6.154 0.000 1.115) 6.254 16.099 ( -25.309 -0.000 16.735) 30.342 16.259 ( -0.328 -0.000 4.573) 4.585 17.114 ( -0.783 -0.000 8.975) 9.009 17.387 ( 21.011 0.000 16.061) 26.446 17.920 ( -1.834 -0.000 -10.468) 10.627 18.402 ( 3.669 0.000 -18.721) 19.078 18.771 ( -0.940 -0.000 -0.970) 1.351 19.026 ( -1.656 -0.000 -0.382) 1.700 19.193 ( -1.998 -0.000 -9.071) 9.288 19.405 ( 1.569 0.000 0.484) 1.642 19.903 ( -6.205 -0.000 21.295) 22.181 19.981 ( -2.193 -0.000 -1.081) 2.445 20.119 ( 3.671 0.000 11.822) 12.379 20.740 ( 0.422 0.000 2.015) 2.059 21.347 ( -4.669 -0.000 -5.952) 7.565 21.839 ( -1.741 -0.000 0.110) 1.744 22.308 ( 5.331 0.000 0.023) 5.331 23.085 ( -10.840 -0.000 -3.344) 11.344 24.302 ( -0.286 -0.000 -0.644) 0.705 24.314 ( -0.780 -0.000 3.045) 3.143 24.582 ( -1.773 -0.000 3.436) 3.866 25.084 ( 1.701 0.000 12.948) 13.060 25.291 ( -2.090 -0.000 -2.810) 3.502 25.596 ( 5.679 0.000 2.382) 6.158 26.981 ( 3.161 0.000 -33.902) 34.049 27.169 ( -0.247 -0.000 -0.266) 0.363 27.235 ( 0.780 0.000 -0.963) 1.239 27.831 ( -13.752 -0.000 -4.402) 14.439 28.684 ( 16.481 0.000 7.553) 18.129 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 27.875 -17.282 3.445) 32.978 1.442 ( 20.107 -34.180 12.983) 41.726 2.423 ( 20.399 -7.189 16.678) 27.312 2.814 ( -2.367 -4.396 13.995) 14.859 2.978 ( -4.158 -7.587 -1.894) 8.857 3.329 ( 7.217 3.276 2.550) 8.326 3.516 ( -1.002 2.493 11.640) 11.946 3.941 ( -1.051 -5.263 -9.549) 10.954 4.045 ( -4.287 0.405 -8.372) 9.415 4.351 ( -6.701 -3.458 -4.656) 8.863 4.554 ( -19.373 0.374 -7.301) 20.706 4.714 ( -2.120 0.589 -2.045) 3.003 4.879 ( 2.742 -2.886 5.400) 6.709 5.109 ( 0.819 1.533 -1.195) 2.109 5.236 ( -3.016 -4.934 7.171) 9.212 5.489 ( 1.567 9.610 2.374) 10.022 5.866 ( 4.001 -1.747 -1.562) 4.637 5.995 ( 1.491 4.163 -1.931) 4.825 6.375 ( 2.089 -1.179 -2.081) 3.176 6.871 ( 3.769 24.718 -2.171) 25.098 7.033 ( 3.541 4.011 4.351) 6.896 7.203 ( -9.188 5.569 -4.478) 11.640 7.621 ( 2.034 -9.864 8.714) 13.318 8.343 ( 2.497 7.429 18.478) 20.072 8.448 ( -9.641 2.404 -19.083) 21.515 8.781 ( -0.317 8.105 3.854) 8.980 8.903 ( 2.761 0.210 6.677) 7.228 9.017 ( -1.754 -1.545 0.755) 2.456 9.392 ( 10.623 -13.255 -6.737) 18.274 9.702 ( -0.145 10.554 -0.735) 10.580 10.017 ( -3.056 -7.280 0.564) 7.915 10.144 ( 4.266 -12.209 9.222) 15.884 10.401 ( 11.970 -1.431 -22.373) 25.414 10.852 ( -4.880 1.540 8.179) 9.647 11.134 ( -9.702 4.897 -2.268) 11.102 11.151 ( -5.791 2.363 1.882) 6.531 11.435 ( -11.315 6.328 10.461) 16.658 11.777 ( 4.664 -0.879 -17.561) 18.191 12.007 ( 1.404 4.513 3.241) 5.731 12.220 ( -10.199 -6.806 -8.157) 14.727 12.875 ( 6.758 4.176 1.384) 8.064 13.003 ( -0.230 -12.585 6.662) 14.241 15.484 ( 1.600 -6.478 -0.695) 6.708 15.905 ( -9.997 0.830 11.070) 14.939 16.287 ( 0.808 0.386 8.052) 8.102 17.063 ( -2.179 7.742 8.839) 11.950 17.622 ( 5.731 -2.057 4.591) 7.626 17.921 ( 3.459 -6.558 -9.802) 12.291 18.344 ( 7.563 7.325 -8.033) 13.243 18.745 ( -3.983 2.034 -1.025) 4.588 18.952 ( -1.305 4.578 -0.458) 4.782 19.127 ( -1.661 1.003 -10.274) 10.456 19.415 ( 1.574 2.427 2.588) 3.881 19.892 ( -1.972 1.499 8.748) 9.092 19.942 ( -1.573 0.874 0.927) 2.024 20.244 ( 3.813 -3.838 12.194) 13.340 20.774 ( 0.931 -2.187 1.381) 2.749 21.252 ( -6.322 1.756 -7.615) 10.052 21.838 ( -1.815 -2.256 0.611) 2.959 22.332 ( 4.937 4.193 -0.081) 6.478 23.004 ( -14.965 -8.716 -5.006) 18.028 24.285 ( -1.006 1.325 1.576) 2.291 24.315 ( -0.122 0.101 0.696) 0.714 24.590 ( 24.720 37.985 1.288) 45.339 24.606 ( 2.199 6.984 10.175) 12.535 25.316 ( -3.919 1.660 -1.697) 4.582 25.702 ( 4.392 -1.214 2.336) 5.121 26.349 ( 9.081 19.610 -5.258) 22.241 27.244 ( 0.350 -2.291 0.419) 2.356 27.639 ( -11.681 -0.337 -4.644) 12.575 28.120 ( -25.950 -53.939 -14.904) 61.685 28.889 ( 14.462 -1.327 6.333) 15.844 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.412 -12.241 2.564) 15.072 2.164 ( 13.701 -24.717 10.106) 30.013 2.240 ( -22.398 -5.659 5.714) 23.798 2.984 ( -5.983 -0.279 -6.886) 9.126 3.159 ( -0.066 13.901 0.740) 13.920 3.279 ( 15.419 -3.485 19.524) 25.121 3.750 ( 6.742 -12.432 5.861) 15.309 3.980 ( -5.433 -4.147 -7.020) 9.798 4.093 ( 4.410 -12.661 -0.820) 13.432 4.306 ( -3.698 -1.533 -18.629) 19.054 4.424 ( -2.738 -11.484 -5.364) 12.967 4.739 ( 2.769 0.294 3.578) 4.533 4.930 ( 5.806 2.583 7.445) 9.788 5.121 ( 5.180 2.332 -2.944) 6.398 5.276 ( -6.597 -4.668 10.423) 13.189 5.495 ( 4.055 -4.647 1.507) 6.349 5.728 ( 8.163 16.203 -3.777) 18.531 6.101 ( -0.635 -9.904 -3.328) 10.468 6.390 ( 3.927 23.615 -3.110) 24.141 6.423 ( -2.362 7.860 -4.084) 9.167 6.893 ( -3.916 13.139 -1.704) 13.816 7.007 ( -4.799 12.049 8.588) 15.555 7.768 ( -8.073 -9.724 -1.644) 12.745 8.253 ( -4.408 2.167 -19.096) 19.717 8.369 ( 4.777 2.660 19.376) 20.132 8.642 ( -2.961 2.388 6.853) 7.838 8.929 ( -4.539 4.065 1.909) 6.385 9.004 ( -8.797 -3.349 4.407) 10.394 9.546 ( 11.443 7.707 -5.903) 15.006 9.691 ( 6.345 -5.459 -1.882) 8.579 10.090 ( -2.420 -4.416 -0.358) 5.048 10.403 ( 4.290 -12.217 3.126) 13.320 10.477 ( 4.373 -2.399 -17.553) 18.248 10.772 ( -4.389 -0.918 1.769) 4.820 10.998 ( -6.672 2.326 9.612) 11.929 11.128 ( -0.367 -2.042 6.390) 6.718 11.283 ( -2.301 6.292 -1.266) 6.818 11.745 ( -1.786 -1.249 -13.917) 14.087 12.015 ( 3.172 1.277 5.861) 6.786 12.115 ( -10.132 3.129 -4.176) 11.397 12.923 ( 8.519 0.694 1.156) 8.625 13.199 ( -2.369 -11.858 1.035) 12.137 15.536 ( -6.784 -5.514 0.092) 8.743 15.973 ( 6.703 -6.736 2.638) 9.862 16.301 ( 2.377 3.901 9.380) 10.434 16.892 ( -0.091 14.834 5.819) 15.935 17.618 ( -9.123 -3.608 -2.119) 10.037 18.033 ( -2.984 -5.556 -10.146) 11.946 18.366 ( 14.418 2.722 4.223) 15.268 18.600 ( -4.923 8.988 -3.292) 10.764 18.888 ( -1.163 1.101 -1.436) 2.151 19.098 ( 1.497 -1.370 -7.307) 7.584 19.371 ( 0.274 5.304 5.082) 7.351 19.876 ( -0.138 1.380 2.831) 3.152 19.928 ( -0.880 -0.095 1.052) 1.375 20.376 ( 4.819 -1.638 9.473) 10.753 20.829 ( 1.378 -2.653 0.603) 3.049 21.137 ( -4.081 1.276 -6.322) 7.632 21.873 ( -1.581 -4.027 0.811) 4.401 22.291 ( 3.598 6.323 -0.135) 7.276 22.970 ( -19.209 -11.814 -6.669) 23.516 24.255 ( 0.244 7.345 16.165) 17.757 24.267 ( 14.329 15.377 -11.042) 23.743 24.352 ( 11.459 11.373 2.473) 16.333 24.664 ( -1.138 -4.700 2.790) 5.583 25.215 ( -3.271 4.288 -1.810) 5.689 25.735 ( 3.677 2.839 1.453) 4.868 26.250 ( 3.420 4.206 -1.429) 5.606 27.325 ( 2.782 -5.271 1.353) 6.112 27.511 ( -5.548 1.802 -2.352) 6.290 28.416 ( -25.050 -27.842 -11.414) 39.153 29.085 ( 13.896 -1.878 5.630) 15.111 ======================= Grid point 11 (8/128) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -37.787 3.712 5.940) 38.431 2.444 ( 9.349 0.024 0.984) 9.401 2.670 ( -0.072 4.797 -11.367) 12.338 2.722 ( 12.296 -12.996 8.724) 19.905 3.066 ( -2.505 -2.751 -3.964) 5.436 3.463 ( 4.101 1.569 7.802) 8.953 3.789 ( -14.907 -3.937 3.813) 15.883 4.023 ( 2.878 1.351 -1.546) 3.535 4.134 ( -2.409 1.116 -6.775) 7.277 4.322 ( -0.371 -8.354 -11.497) 14.217 4.756 ( 6.215 2.339 1.235) 6.754 4.881 ( 15.045 -20.038 0.232) 25.059 4.998 ( 4.121 6.104 8.765) 11.449 5.136 ( 6.939 0.604 3.429) 7.764 5.317 ( 2.235 4.902 3.653) 6.509 5.484 ( 2.669 12.848 -0.139) 13.123 5.631 ( 5.385 1.454 4.425) 7.120 5.970 ( -0.436 11.235 -2.403) 11.497 6.214 ( -4.434 -10.411 -7.321) 13.477 6.496 ( 0.900 -4.285 -5.725) 7.207 6.654 ( -4.101 4.256 -0.932) 5.983 6.728 ( -5.063 16.881 6.633) 18.831 7.761 ( -12.845 -8.106 -8.922) 17.616 8.148 ( -3.988 0.187 -4.903) 6.323 8.471 ( 7.288 3.409 16.789) 18.617 8.690 ( 0.448 1.689 0.618) 1.854 8.789 ( -8.319 -8.447 2.228) 12.063 8.966 ( -9.171 -2.425 2.365) 9.776 9.434 ( 6.359 18.051 -4.841) 19.741 9.809 ( 4.776 -2.407 -0.842) 5.414 10.096 ( -3.614 -2.205 -5.127) 6.648 10.497 ( 3.498 -4.374 -0.441) 5.618 10.671 ( 2.325 -15.220 -6.145) 16.577 10.798 ( -1.779 -0.157 -9.359) 9.528 10.901 ( -5.369 6.767 16.423) 18.556 11.193 ( 2.630 0.574 4.983) 5.664 11.211 ( 7.539 2.387 -2.654) 8.341 11.726 ( -3.097 -5.030 -10.446) 12.000 11.915 ( -8.685 6.756 2.053) 11.194 12.057 ( -1.411 -3.523 3.950) 5.478 13.018 ( 8.583 1.811 6.370) 10.841 13.316 ( -1.152 -5.890 -6.260) 8.672 15.565 ( -6.305 -7.969 -1.053) 10.216 16.187 ( 13.556 -0.540 0.565) 13.578 16.295 ( 1.040 -1.648 5.636) 5.963 16.671 ( 3.633 15.408 3.816) 16.284 17.550 ( -16.057 -4.231 -2.680) 16.820 18.008 ( -3.548 -1.087 -5.026) 6.247 18.349 ( -5.628 9.501 -3.125) 11.476 18.537 ( 7.888 -3.898 1.699) 8.961 18.877 ( 0.297 0.374 -1.397) 1.476 19.114 ( -1.768 -0.914 2.937) 3.547 19.339 ( 4.074 1.481 0.303) 4.346 19.865 ( 0.218 0.991 1.979) 2.224 19.925 ( -0.300 -0.088 -0.644) 0.716 20.437 ( 4.876 3.223 2.025) 6.186 20.870 ( 0.146 0.133 1.437) 1.450 21.140 ( 3.265 -5.336 -1.200) 6.370 21.930 ( -0.830 -4.402 0.651) 4.527 22.226 ( 3.402 6.228 -0.340) 7.104 22.884 ( -24.829 -10.014 -7.586) 27.827 24.077 ( 15.370 24.890 5.121) 29.698 24.243 ( -0.540 0.086 0.192) 0.580 24.343 ( 2.370 1.748 -0.230) 2.954 24.724 ( -0.378 -2.370 0.873) 2.554 25.133 ( -2.597 0.148 -1.078) 2.816 25.716 ( 2.058 3.639 0.801) 4.256 26.221 ( 0.439 2.553 -0.418) 2.624 27.360 ( -2.772 1.795 -0.846) 3.409 27.580 ( 10.802 -7.276 3.565) 13.503 28.445 ( -22.705 -14.232 -8.928) 28.245 29.297 ( 14.097 -3.479 5.535) 15.539 ======================= Grid point 12 (9/128) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -31.283 8.244 2.677) 32.462 1.963 ( -7.270 34.986 -4.085) 35.966 2.934 ( 10.794 -8.692 -6.751) 15.416 3.044 ( 3.858 -5.226 2.244) 6.873 3.162 ( 13.076 -7.915 -1.307) 15.341 3.377 ( -1.404 10.571 0.905) 10.702 3.634 ( -16.134 5.331 -1.085) 17.026 3.833 ( -3.070 28.757 8.656) 30.188 4.075 ( -0.384 0.703 -7.298) 7.342 4.334 ( -5.221 -0.076 -7.613) 9.231 4.798 ( 4.900 -4.479 -0.446) 6.654 4.847 ( 4.359 2.126 4.821) 6.838 5.102 ( 5.889 1.521 4.960) 7.848 5.232 ( -4.072 0.263 0.423) 4.102 5.394 ( 13.325 2.951 0.708) 13.667 5.531 ( 13.075 -2.280 0.475) 13.281 5.657 ( 1.027 -1.825 7.534) 7.819 5.981 ( -1.850 -9.822 -1.891) 10.172 6.241 ( -3.925 13.948 2.235) 14.661 6.376 ( -6.586 -15.890 -12.132) 21.049 6.513 ( -5.237 3.993 1.007) 6.663 6.858 ( 3.743 -17.127 -0.794) 17.549 7.714 ( -12.128 -6.645 -4.436) 14.523 8.120 ( -2.539 1.390 -1.090) 3.093 8.469 ( 2.836 0.753 3.940) 4.913 8.668 ( 4.200 4.895 8.735) 10.859 8.859 ( -8.262 2.277 -4.173) 9.532 9.007 ( -3.260 -15.881 1.003) 16.243 9.179 ( 0.708 12.775 -0.746) 12.817 9.890 ( 7.491 1.008 0.247) 7.563 10.045 ( -5.563 0.154 -4.220) 6.984 10.570 ( -7.681 9.081 15.213) 19.311 10.604 ( 6.840 12.127 -16.796) 21.817 10.853 ( -2.515 -10.007 5.656) 11.767 10.928 ( 1.494 -13.360 -5.991) 14.717 11.177 ( 3.334 5.766 -1.208) 6.769 11.331 ( 12.631 -0.688 1.020) 12.690 11.690 ( -13.602 -1.519 -3.911) 14.234 11.823 ( 0.836 -2.186 3.939) 4.582 12.148 ( -3.220 -10.573 1.217) 11.119 13.059 ( 5.675 7.736 9.923) 13.803 13.312 ( 0.826 2.069 -10.040) 10.284 15.643 ( -3.904 -9.365 -1.708) 10.288 16.193 ( 8.370 9.061 2.950) 12.683 16.428 ( 14.183 8.452 5.549) 17.418 16.624 ( -0.058 -10.766 -2.242) 10.997 17.301 ( -23.912 6.629 -7.840) 26.023 17.957 ( -2.363 1.244 -1.373) 3.003 18.246 ( 0.673 0.019 3.881) 3.939 18.693 ( 2.133 -8.802 -0.606) 9.077 18.854 ( -0.937 0.484 -0.749) 1.293 19.139 ( -0.243 -2.353 5.051) 5.577 19.384 ( 3.018 -1.131 -2.255) 3.933 19.861 ( 0.237 0.856 2.227) 2.398 19.917 ( -0.095 0.131 -2.361) 2.367 20.405 ( 3.677 6.404 -1.782) 7.596 20.840 ( -1.221 2.585 0.862) 2.986 21.342 ( 8.847 -9.337 2.498) 13.103 21.995 ( 1.777 -3.078 0.775) 3.637 22.178 ( 4.370 4.869 -0.438) 6.557 22.683 ( -29.921 -5.370 -7.253) 31.252 23.835 ( 7.247 22.839 2.413) 24.082 24.246 ( -0.293 -0.997 0.397) 1.112 24.337 ( 0.700 1.033 -0.455) 1.328 24.722 ( 0.043 2.214 -0.594) 2.293 25.170 ( -0.873 -7.061 0.161) 7.117 25.678 ( 0.521 2.836 0.208) 2.891 26.170 ( -1.019 3.309 -0.134) 3.465 27.300 ( -0.992 2.428 -0.358) 2.647 27.873 ( 17.077 -6.839 5.841) 19.300 28.344 ( -20.672 -7.195 -7.420) 23.112 29.534 ( 12.896 -5.263 5.074) 14.824 ======================= Grid point 13 (10/128) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -0.000 17.669 -0.000) 17.669 1.312 ( -0.000 39.827 -0.000) 39.827 2.508 ( -0.000 67.695 -0.000) 67.695 3.133 ( 0.000 -1.895 0.000) 1.895 3.178 ( -0.000 11.017 -0.000) 11.017 3.326 ( 0.000 -7.274 0.000) 7.274 3.532 ( 0.000 -1.777 0.000) 1.777 3.581 ( 0.000 -3.650 0.000) 3.650 4.056 ( 0.000 -0.648 0.000) 0.648 4.327 ( 0.000 -1.779 0.000) 1.779 4.843 ( -0.000 3.844 -0.000) 3.844 4.968 ( 0.000 -5.628 0.000) 5.628 5.150 ( 0.000 -0.790 0.000) 0.790 5.209 ( 0.000 -4.941 0.000) 4.941 5.377 ( -0.000 2.808 -0.000) 2.808 5.622 ( -0.000 2.801 -0.000) 2.801 5.699 ( -0.000 7.043 -0.000) 7.043 5.953 ( -0.000 2.121 -0.000) 2.121 6.239 ( 0.000 -11.078 0.000) 11.078 6.499 ( 0.000 -10.385 0.000) 10.385 6.637 ( 0.000 -19.235 0.000) 19.235 7.120 ( 0.000 -12.055 0.000) 12.055 7.720 ( 0.000 -5.555 0.000) 5.555 7.948 ( -0.000 17.343 -0.000) 17.343 8.562 ( -0.000 7.551 -0.000) 7.551 8.664 ( 0.000 -18.316 0.000) 18.316 8.781 ( -0.000 0.893 -0.000) 0.893 9.050 ( -0.000 5.669 -0.000) 5.669 9.178 ( 0.000 -5.450 0.000) 5.450 9.837 ( -0.000 10.038 -0.000) 10.038 10.027 ( 0.000 -2.215 0.000) 2.215 10.335 ( -0.000 11.455 -0.000) 11.455 10.396 ( -0.000 16.154 -0.000) 16.154 11.075 ( 0.000 -13.900 0.000) 13.900 11.107 ( -0.000 3.921 -0.000) 3.921 11.152 ( 0.000 -13.812 0.000) 13.812 11.439 ( 0.000 -1.099 0.000) 1.099 11.571 ( -0.000 1.290 -0.000) 1.290 11.916 ( 0.000 -6.560 0.000) 6.560 12.326 ( 0.000 -13.614 0.000) 13.614 12.915 ( -0.000 16.076 -0.000) 16.076 13.246 ( -0.000 5.156 -0.000) 5.156 15.771 ( 0.000 -9.776 0.000) 9.776 16.146 ( -0.000 5.599 -0.000) 5.599 16.388 ( -0.000 9.549 -0.000) 9.549 16.801 ( 0.000 -2.972 0.000) 2.972 16.951 ( -0.000 3.577 -0.000) 3.577 17.945 ( 0.000 -1.150 0.000) 1.150 18.290 ( 0.000 -2.359 0.000) 2.359 18.838 ( 0.000 -6.755 0.000) 6.755 18.898 ( 0.000 -7.546 0.000) 7.546 19.193 ( 0.000 -2.948 0.000) 2.948 19.406 ( 0.000 -0.127 0.000) 0.127 19.852 ( -0.000 1.044 -0.000) 1.044 19.912 ( 0.000 -0.618 0.000) 0.618 20.307 ( -0.000 8.235 -0.000) 8.235 20.787 ( -0.000 2.952 -0.000) 2.952 21.569 ( 0.000 -9.339 0.000) 9.339 22.098 ( 0.000 -5.783 0.000) 5.783 22.132 ( -0.000 5.959 -0.000) 5.959 22.436 ( -0.000 2.423 -0.000) 2.423 23.545 ( -0.000 18.599 -0.000) 18.599 24.268 ( 0.000 -1.704 0.000) 1.704 24.325 ( -0.000 0.756 -0.000) 0.756 24.670 ( -0.000 3.735 -0.000) 3.735 25.307 ( 0.000 -9.633 0.000) 9.633 25.646 ( -0.000 1.376 -0.000) 1.376 26.101 ( -0.000 4.240 -0.000) 4.240 27.261 ( -0.000 1.866 -0.000) 1.866 28.133 ( 0.000 -2.401 0.000) 2.401 28.230 ( 0.000 -4.582 0.000) 4.582 29.738 ( 0.000 -6.797 0.000) 6.797 ======================= Grid point 16 (11/128) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 26.777 0.000 16.010) 31.198 1.552 ( 28.317 0.000 10.134) 30.076 2.239 ( -35.983 -0.000 6.836) 36.627 2.847 ( -7.290 -0.000 -2.479) 7.700 3.237 ( 50.735 0.000 23.327) 55.840 3.454 ( 8.953 0.000 4.527) 10.032 3.546 ( -4.693 -0.000 10.829) 11.802 3.800 ( -6.002 -0.000 -5.428) 8.093 3.963 ( -9.036 -0.000 -12.499) 15.423 4.159 ( -10.972 -0.000 -7.156) 13.099 4.338 ( -9.556 -0.000 -16.061) 18.689 4.749 ( 0.651 0.000 -1.804) 1.918 4.928 ( 8.958 0.000 8.461) 12.322 5.090 ( -3.342 -0.000 -2.117) 3.956 5.203 ( -1.462 -0.000 11.581) 11.673 5.699 ( 0.017 0.000 -7.789) 7.789 5.742 ( 5.956 0.000 1.240) 6.084 6.147 ( 6.003 0.000 1.470) 6.180 6.382 ( 3.073 0.000 -1.574) 3.453 6.981 ( -14.063 -0.000 -10.162) 17.350 7.137 ( 5.394 0.000 -2.842) 6.098 7.147 ( 0.843 0.000 -0.981) 1.294 7.663 ( 3.697 0.000 15.495) 15.930 8.302 ( -8.250 -0.000 -23.015) 24.449 8.414 ( -7.027 -0.000 18.572) 19.857 8.787 ( -18.837 -0.000 9.455) 21.077 8.910 ( -6.777 -0.000 3.992) 7.866 9.017 ( 9.098 0.000 3.164) 9.633 9.383 ( 9.034 0.000 1.226) 9.117 9.831 ( 1.459 0.000 6.506) 6.667 9.946 ( 10.048 0.000 -13.620) 16.925 10.127 ( 7.925 0.000 6.880) 10.495 10.461 ( 10.480 0.000 -19.041) 21.734 10.872 ( -0.101 -0.000 7.391) 7.392 11.053 ( -12.795 -0.000 3.763) 13.337 11.107 ( -5.981 -0.000 -7.759) 9.797 11.289 ( -20.257 -0.000 8.669) 22.034 11.697 ( -4.143 -0.000 -26.811) 27.129 12.053 ( 1.650 0.000 4.327) 4.631 12.163 ( 5.464 0.000 3.187) 6.325 12.905 ( -1.463 -0.000 5.795) 5.976 12.966 ( 3.237 0.000 -2.581) 4.140 15.522 ( 8.039 0.000 -0.792) 8.078 15.812 ( -9.657 -0.000 12.830) 16.058 16.344 ( 3.329 0.000 13.390) 13.798 17.087 ( -7.158 -0.000 5.673) 9.133 17.654 ( -3.543 -0.000 0.182) 3.548 17.823 ( 1.048 0.000 -14.117) 14.156 18.500 ( 12.974 0.000 -3.462) 13.428 18.748 ( -0.733 -0.000 1.856) 1.996 18.969 ( -2.866 -0.000 -0.407) 2.895 19.068 ( -3.570 -0.000 -9.657) 10.296 19.498 ( 6.636 0.000 1.589) 6.823 19.904 ( -1.930 -0.000 4.834) 5.205 19.928 ( -2.065 -0.000 2.062) 2.918 20.308 ( 5.048 0.000 14.506) 15.359 20.777 ( 1.811 0.000 1.615) 2.426 21.170 ( -6.330 -0.000 -9.766) 11.638 21.805 ( -1.528 -0.000 0.769) 1.711 22.424 ( 4.740 0.000 -0.476) 4.764 22.746 ( -16.134 -0.000 -5.021) 16.897 24.289 ( -0.450 -0.000 -0.650) 0.791 24.317 ( -0.215 -0.000 1.066) 1.087 24.562 ( -2.261 -0.000 4.265) 4.827 25.238 ( -1.104 -0.000 -2.350) 2.597 25.254 ( 6.859 0.000 8.847) 11.194 25.744 ( 5.875 0.000 1.990) 6.203 26.748 ( -8.463 -0.000 -16.965) 18.959 27.161 ( -0.201 -0.000 -0.431) 0.476 27.248 ( 0.901 0.000 -1.099) 1.421 27.598 ( -5.570 -0.000 -2.618) 6.155 29.043 ( 11.960 0.000 5.044) 12.980 ======================= Grid point 17 (12/128) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -29.338 0.432 6.072) 29.963 1.931 ( 14.358 -19.284 11.544) 26.670 2.133 ( 20.685 -8.906 10.717) 24.941 2.793 ( -9.711 -6.344 -6.025) 13.071 3.401 ( -4.488 14.358 5.383) 15.977 3.457 ( -3.621 1.490 0.252) 3.923 3.730 ( 1.531 -0.756 5.215) 5.488 3.779 ( -4.653 -7.194 -3.310) 9.185 3.993 ( 20.758 -9.109 -0.195) 22.670 4.179 ( -1.430 -6.511 -12.939) 14.555 4.275 ( 7.037 -6.232 2.427) 9.708 4.766 ( 3.234 -2.545 -1.849) 4.512 5.024 ( 2.284 1.712 4.273) 5.139 5.125 ( 2.355 -5.821 -1.054) 6.368 5.226 ( -1.246 -0.455 12.772) 12.840 5.568 ( 5.332 6.739 -5.015) 9.950 5.919 ( 1.129 -9.652 -4.668) 10.780 6.074 ( 7.813 14.833 -0.214) 16.767 6.418 ( 2.434 1.452 -1.287) 3.113 6.823 ( -18.710 -4.935 -8.678) 21.206 6.943 ( 3.698 27.787 -2.782) 28.169 7.131 ( 3.061 5.389 3.626) 7.180 7.714 ( -1.335 3.875 10.487) 11.259 8.113 ( -4.867 0.257 -24.177) 24.664 8.401 ( -8.672 -0.688 10.592) 13.707 8.597 ( -17.763 -3.003 13.993) 22.811 8.867 ( -8.158 -2.353 7.041) 11.030 9.042 ( 3.574 7.968 -1.690) 8.895 9.531 ( 3.964 -6.936 5.506) 9.703 9.864 ( 14.436 6.034 -3.028) 15.937 10.073 ( 9.886 -4.677 -6.213) 12.578 10.323 ( 6.939 -6.323 4.231) 10.297 10.482 ( 6.120 2.133 -15.882) 17.154 10.740 ( -12.628 7.862 3.461) 15.273 10.933 ( -7.310 -3.885 5.623) 10.007 11.085 ( -1.591 -3.759 2.271) 4.672 11.224 ( -7.854 -5.933 2.035) 10.051 11.566 ( -8.856 -3.385 -21.466) 23.466 12.092 ( 4.852 2.848 3.572) 6.664 12.189 ( 3.300 5.827 3.935) 7.767 12.949 ( -1.959 -5.162 3.306) 6.435 13.019 ( 1.703 -6.189 -3.627) 7.373 15.521 ( 1.536 5.500 1.566) 5.922 15.884 ( 1.221 -9.488 4.489) 10.567 16.439 ( 5.646 1.431 15.668) 16.715 17.004 ( -5.875 0.835 0.050) 5.934 17.499 ( -10.524 5.563 -3.787) 12.492 17.871 ( -0.772 -7.017 -9.672) 11.974 18.583 ( 9.126 6.128 1.458) 11.089 18.712 ( 1.208 6.772 0.824) 6.928 18.879 ( -2.954 2.205 -3.398) 5.013 19.048 ( -1.354 -3.205 -4.539) 5.719 19.526 ( 6.421 6.797 2.627) 9.713 19.888 ( -1.030 0.398 0.194) 1.121 19.924 ( -0.806 0.056 3.446) 3.540 20.436 ( 5.226 -2.733 12.203) 13.553 20.817 ( 2.531 -1.616 0.723) 3.089 21.068 ( -5.559 -0.144 -8.995) 10.575 21.810 ( -1.131 -2.236 0.773) 2.622 22.416 ( 2.076 4.894 -0.380) 5.330 22.622 ( -14.226 -6.258 -5.002) 16.327 24.271 ( -0.724 1.281 0.221) 1.488 24.317 ( 0.047 0.125 0.156) 0.206 24.586 ( -1.571 -3.951 3.119) 5.273 25.046 ( 12.278 25.675 3.177) 28.636 25.249 ( -1.821 5.834 0.871) 6.174 25.815 ( 4.015 0.546 1.531) 4.331 26.407 ( 0.254 12.896 -5.082) 13.864 27.255 ( -0.020 -6.014 0.806) 6.068 27.441 ( -3.907 -7.767 -2.818) 9.140 27.685 ( -10.236 -25.171 -5.839) 27.794 29.187 ( 8.882 -2.251 3.649) 9.862 ======================= Grid point 18 (13/128) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -29.609 2.099 3.116) 29.847 2.396 ( 11.018 -16.988 7.686) 21.658 2.640 ( 20.966 -15.372 10.720) 28.121 2.779 ( -6.392 -3.635 -9.201) 11.778 3.045 ( -5.996 18.622 -0.945) 19.587 3.341 ( -16.766 -6.426 -8.219) 19.747 3.744 ( 1.543 1.718 6.211) 6.627 3.983 ( 2.677 -9.862 10.411) 14.588 4.137 ( -0.746 -3.918 -18.647) 19.069 4.154 ( 0.768 -1.082 -1.592) 2.072 4.717 ( 15.325 -16.652 5.066) 23.190 4.861 ( 5.151 -2.503 -1.016) 5.816 5.030 ( -4.628 -4.155 1.729) 6.455 5.190 ( 0.824 -1.632 -1.396) 2.301 5.357 ( 12.233 -2.525 15.763) 20.112 5.567 ( 2.042 -0.285 -3.987) 4.489 5.940 ( 6.091 11.302 0.083) 12.839 6.042 ( -1.877 -6.019 -4.810) 7.930 6.321 ( -1.460 23.064 -4.475) 23.539 6.459 ( 2.899 15.608 -1.559) 15.951 6.640 ( -11.965 3.511 -2.908) 12.804 7.020 ( -0.232 16.251 5.686) 17.218 7.580 ( -5.213 2.949 -2.445) 6.469 8.060 ( -4.767 -1.359 -9.420) 10.644 8.403 ( -3.855 -12.538 4.372) 13.827 8.625 ( -6.055 -8.039 8.645) 13.267 8.788 ( -4.862 9.704 5.601) 12.214 8.929 ( 1.248 2.841 -2.054) 3.722 9.672 ( 2.050 -2.474 2.414) 4.019 9.883 ( 11.173 12.527 -0.429) 16.792 10.102 ( 0.201 6.907 -9.827) 12.013 10.387 ( -3.469 -8.408 -0.530) 9.111 10.502 ( 1.867 -6.865 0.291) 7.120 10.750 ( 6.011 -5.336 -5.349) 9.655 10.919 ( -8.529 -1.479 7.657) 11.557 11.176 ( 0.219 -6.063 4.688) 7.667 11.274 ( 3.533 -2.971 3.297) 5.672 11.489 ( -9.395 -6.819 -14.728) 18.753 12.045 ( 2.171 10.885 1.634) 11.219 12.101 ( 0.333 5.902 2.919) 6.593 13.051 ( 0.315 -6.899 4.118) 8.040 13.156 ( 1.087 -9.553 -4.964) 10.820 15.470 ( -0.673 1.016 0.804) 1.460 16.089 ( 2.704 -12.259 -0.212) 12.556 16.464 ( 3.990 8.015 8.445) 12.308 16.971 ( 7.019 5.687 3.109) 9.554 17.286 ( -16.340 -0.270 -4.903) 17.062 17.926 ( -1.245 -4.424 -4.735) 6.598 18.456 ( -1.970 12.980 0.447) 13.136 18.621 ( 2.977 4.563 -1.183) 5.575 18.880 ( 1.304 -0.972 -1.015) 1.917 19.074 ( -1.160 -2.478 -0.273) 2.750 19.462 ( 3.557 7.729 1.850) 8.707 19.877 ( -0.344 0.154 0.174) 0.415 19.924 ( -0.136 0.249 1.050) 1.088 20.536 ( 3.571 1.012 4.447) 5.793 20.879 ( 1.665 -0.724 1.840) 2.585 21.047 ( -0.688 -6.927 -4.227) 8.144 21.853 ( -0.604 -3.993 0.439) 4.062 22.363 ( 3.495 4.441 0.436) 5.668 22.543 ( -13.567 -3.700 -4.543) 14.778 24.245 ( -0.544 0.933 0.397) 1.151 24.311 ( 0.150 1.084 -0.034) 1.094 24.658 ( -0.744 -5.059 2.026) 5.500 24.738 ( 10.248 29.381 1.427) 31.150 25.134 ( -2.818 3.996 -0.688) 4.937 25.809 ( 1.869 4.193 0.655) 4.637 26.287 ( 0.836 4.908 -0.775) 5.039 27.341 ( -1.057 -1.857 -0.063) 2.137 27.566 ( 9.525 -10.383 3.178) 14.444 27.896 ( -17.206 -21.200 -7.217) 28.241 29.336 ( 5.650 -5.374 2.242) 8.114 ======================= Grid point 19 (14/128) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.000 4.334 -0.000) 4.334 2.453 ( -0.000 30.817 -0.000) 30.817 2.747 ( 0.000 -16.968 0.000) 16.968 2.957 ( 0.000 -7.538 0.000) 7.538 3.077 ( 0.000 -16.242 0.000) 16.242 3.320 ( 0.000 -7.613 0.000) 7.613 3.644 ( -0.000 11.126 -0.000) 11.126 4.092 ( -0.000 2.497 -0.000) 2.497 4.185 ( 0.000 -1.917 0.000) 1.917 4.202 ( 0.000 -6.676 0.000) 6.676 4.879 ( 0.000 -0.018 0.000) 0.018 4.959 ( -0.000 14.202 -0.000) 14.202 5.073 ( 0.000 -10.399 0.000) 10.399 5.219 ( 0.000 -1.923 0.000) 1.923 5.523 ( 0.000 -1.024 0.000) 1.024 5.607 ( -0.000 3.075 -0.000) 3.075 5.707 ( -0.000 12.773 -0.000) 12.773 5.899 ( -0.000 0.405 -0.000) 0.405 6.105 ( 0.000 -1.065 0.000) 1.065 6.458 ( -0.000 9.496 -0.000) 9.496 6.597 ( 0.000 -16.771 0.000) 16.771 6.688 ( -0.000 21.337 -0.000) 21.337 7.561 ( 0.000 -3.753 0.000) 3.753 8.045 ( 0.000 -3.704 0.000) 3.704 8.583 ( -0.000 10.451 -0.000) 10.451 8.649 ( 0.000 -13.987 0.000) 13.987 8.747 ( 0.000 -11.350 0.000) 11.350 8.900 ( -0.000 4.812 -0.000) 4.812 9.483 ( -0.000 23.345 -0.000) 23.345 9.857 ( 0.000 -5.337 0.000) 5.337 10.043 ( -0.000 1.666 -0.000) 1.666 10.523 ( 0.000 -9.369 0.000) 9.369 10.686 ( 0.000 -13.286 0.000) 13.286 10.772 ( -0.000 6.018 -0.000) 6.018 10.851 ( -0.000 4.755 -0.000) 4.755 11.250 ( 0.000 -0.197 0.000) 0.197 11.423 ( 0.000 -3.973 0.000) 3.973 11.477 ( 0.000 -7.566 0.000) 7.566 11.881 ( -0.000 8.574 -0.000) 8.574 12.051 ( -0.000 0.097 -0.000) 0.097 13.153 ( 0.000 -2.363 0.000) 2.363 13.270 ( 0.000 -4.829 0.000) 4.829 15.498 ( 0.000 -5.353 0.000) 5.353 16.325 ( 0.000 -15.667 0.000) 15.667 16.356 ( -0.000 8.629 -0.000) 8.629 16.860 ( -0.000 17.795 -0.000) 17.795 17.189 ( 0.000 -1.550 0.000) 1.550 17.953 ( 0.000 -0.535 0.000) 0.535 18.281 ( -0.000 5.610 -0.000) 5.610 18.613 ( 0.000 -1.916 0.000) 1.916 18.873 ( -0.000 2.081 -0.000) 2.081 19.105 ( 0.000 -2.416 0.000) 2.416 19.404 ( -0.000 2.207 -0.000) 2.207 19.874 ( -0.000 0.249 -0.000) 0.249 19.919 ( -0.000 0.434 -0.000) 0.434 20.513 ( -0.000 4.582 -0.000) 4.582 20.870 ( -0.000 1.862 -0.000) 1.862 21.217 ( 0.000 -11.974 0.000) 11.974 21.922 ( 0.000 -5.043 0.000) 5.043 22.343 ( -0.000 6.330 -0.000) 6.330 22.446 ( 0.000 -1.721 0.000) 1.721 24.231 ( -0.000 15.511 -0.000) 15.511 24.236 ( 0.000 -0.103 0.000) 0.103 24.408 ( -0.000 12.988 -0.000) 12.988 24.722 ( 0.000 -2.355 0.000) 2.355 25.091 ( 0.000 -1.279 0.000) 1.279 25.746 ( -0.000 4.695 -0.000) 4.695 26.222 ( -0.000 3.825 -0.000) 3.825 27.327 ( -0.000 1.674 -0.000) 1.674 27.930 ( 0.000 -11.805 0.000) 11.805 27.950 ( 0.000 -13.422 0.000) 13.422 29.483 ( 0.000 -8.040 0.000) 8.040 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -30.893 -0.000 3.674) 31.111 2.048 ( 21.145 0.000 11.416) 24.030 2.369 ( 25.052 0.000 11.333) 27.496 2.590 ( -12.969 -0.000 -6.237) 14.391 3.225 ( -20.672 -0.000 -9.150) 22.607 3.628 ( -1.574 -0.000 -3.127) 3.501 3.641 ( 4.408 0.000 2.680) 5.159 3.705 ( -3.995 -0.000 4.645) 6.127 3.929 ( -5.352 -0.000 -3.572) 6.434 4.195 ( 3.385 0.000 -11.357) 11.851 4.501 ( 29.945 0.000 19.497) 35.733 4.737 ( 0.012 0.000 -3.583) 3.583 5.039 ( -4.458 -0.000 -3.038) 5.395 5.077 ( 0.556 0.000 2.507) 2.568 5.325 ( 10.358 0.000 14.657) 17.948 5.626 ( -1.822 -0.000 -14.324) 14.440 5.838 ( 2.368 0.000 -0.460) 2.413 6.335 ( 7.301 0.000 1.770) 7.513 6.452 ( -3.126 -0.000 -2.448) 3.970 6.484 ( -13.228 -0.000 -5.742) 14.421 7.217 ( 2.685 0.000 -1.634) 3.143 7.218 ( 2.459 0.000 0.172) 2.465 7.775 ( 0.766 0.000 10.667) 10.694 8.047 ( 1.575 0.000 -26.850) 26.897 8.330 ( -24.007 -0.000 14.574) 28.085 8.336 ( -6.156 -0.000 8.061) 10.143 8.781 ( -4.204 -0.000 1.922) 4.623 9.158 ( 2.556 0.000 -0.284) 2.572 9.565 ( 5.252 0.000 6.929) 8.694 10.017 ( 6.226 0.000 0.310) 6.234 10.155 ( 12.519 0.000 -7.187) 14.435 10.383 ( 11.913 0.000 8.055) 14.381 10.532 ( 5.514 0.000 -11.139) 12.429 10.706 ( -17.099 -0.000 6.340) 18.236 10.792 ( -11.269 -0.000 -4.470) 12.124 10.998 ( 0.313 0.000 -0.439) 0.539 11.089 ( -4.042 -0.000 3.667) 5.458 11.398 ( -5.789 -0.000 -13.558) 14.742 12.189 ( 4.872 0.000 2.300) 5.388 12.296 ( 3.132 0.000 2.927) 4.287 12.861 ( -3.014 -0.000 1.213) 3.249 12.978 ( 0.290 0.000 -2.367) 2.384 15.647 ( 3.533 0.000 -1.417) 3.807 15.791 ( -0.132 -0.000 5.643) 5.644 16.570 ( 7.303 0.000 16.339) 17.897 16.886 ( -9.241 -0.000 -7.841) 12.119 17.461 ( -7.364 -0.000 -2.263) 7.704 17.782 ( 0.808 0.000 -5.620) 5.678 18.732 ( 6.315 0.000 -0.392) 6.327 18.782 ( 1.716 0.000 4.271) 4.603 18.915 ( -1.626 -0.000 -0.129) 1.631 18.929 ( -3.609 -0.000 -6.577) 7.502 19.671 ( 5.654 0.000 1.390) 5.823 19.878 ( -0.765 -0.000 -0.561) 0.948 19.933 ( 0.111 0.000 2.675) 2.677 20.490 ( 3.180 0.000 9.129) 9.667 20.838 ( 3.322 0.000 0.814) 3.420 20.970 ( -5.872 -0.000 -7.901) 9.845 21.784 ( -0.648 -0.000 0.476) 0.804 22.417 ( -8.853 -0.000 -2.745) 9.269 22.493 ( 1.730 0.000 -0.298) 1.755 24.278 ( -0.275 -0.000 -0.133) 0.305 24.318 ( -0.028 -0.000 0.218) 0.220 24.545 ( -1.021 -0.000 1.884) 2.143 25.213 ( -0.297 -0.000 -0.876) 0.925 25.450 ( 5.149 0.000 4.576) 6.889 25.850 ( 2.525 0.000 0.780) 2.642 26.477 ( -6.523 -0.000 -7.005) 9.572 27.156 ( -0.068 -0.000 -0.209) 0.220 27.258 ( 0.398 0.000 -0.468) 0.614 27.522 ( -1.123 -0.000 -0.794) 1.375 29.247 ( 4.358 0.000 1.805) 4.717 ======================= Grid point 25 (16/128) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 0.817 -0.000) 0.817 2.293 ( 0.000 -8.635 0.000) 8.635 2.552 ( 0.000 -9.735 0.000) 9.735 2.637 ( 0.000 -8.350 0.000) 8.350 3.087 ( 0.000 -4.475 0.000) 4.475 3.364 ( -0.000 21.309 -0.000) 21.309 3.745 ( 0.000 -3.435 0.000) 3.435 3.820 ( 0.000 -13.733 0.000) 13.733 3.984 ( 0.000 -7.307 0.000) 7.307 4.184 ( -0.000 0.971 -0.000) 0.971 4.725 ( 0.000 -3.221 0.000) 3.221 4.744 ( 0.000 -2.217 0.000) 2.217 5.050 ( -0.000 4.061 -0.000) 4.061 5.088 ( 0.000 -9.537 0.000) 9.537 5.485 ( 0.000 -0.832 0.000) 0.832 5.537 ( 0.000 -0.090 0.000) 0.090 5.903 ( 0.000 -6.539 0.000) 6.539 6.139 ( -0.000 12.997 -0.000) 12.997 6.444 ( -0.000 4.252 -0.000) 4.252 6.532 ( 0.000 -6.677 0.000) 6.677 6.979 ( -0.000 29.462 -0.000) 29.462 7.189 ( -0.000 4.975 -0.000) 4.975 7.714 ( -0.000 12.438 -0.000) 12.438 8.010 ( -0.000 0.138 -0.000) 0.138 8.187 ( 0.000 -6.605 0.000) 6.605 8.454 ( 0.000 -10.287 0.000) 10.287 8.807 ( 0.000 -3.887 0.000) 3.887 9.067 ( -0.000 11.392 -0.000) 11.392 9.634 ( 0.000 -3.038 0.000) 3.038 10.070 ( 0.000 -0.535 0.000) 0.535 10.236 ( 0.000 -4.184 0.000) 4.184 10.356 ( -0.000 22.714 -0.000) 22.714 10.458 ( -0.000 0.082 -0.000) 0.082 10.707 ( 0.000 -11.725 0.000) 11.725 10.742 ( 0.000 -4.880 0.000) 4.880 11.082 ( 0.000 -6.091 0.000) 6.091 11.182 ( 0.000 -11.663 0.000) 11.663 11.343 ( 0.000 -0.236 0.000) 0.236 12.187 ( -0.000 4.187 -0.000) 4.187 12.244 ( -0.000 8.843 -0.000) 8.843 12.913 ( 0.000 -7.848 0.000) 7.848 13.029 ( 0.000 -6.445 0.000) 6.445 15.554 ( -0.000 8.185 -0.000) 8.185 15.924 ( 0.000 -10.465 0.000) 10.465 16.623 ( -0.000 5.711 -0.000) 5.711 16.883 ( 0.000 -10.786 0.000) 10.786 17.325 ( -0.000 9.976 -0.000) 9.976 17.830 ( 0.000 -5.336 0.000) 5.336 18.694 ( -0.000 15.427 -0.000) 15.427 18.707 ( -0.000 4.847 -0.000) 4.847 18.853 ( 0.000 -3.286 0.000) 3.286 19.011 ( 0.000 -4.829 0.000) 4.829 19.629 ( -0.000 8.577 -0.000) 8.577 19.874 ( 0.000 -0.098 0.000) 0.098 19.932 ( -0.000 0.546 -0.000) 0.546 20.554 ( 0.000 -2.371 0.000) 2.371 20.901 ( -0.000 0.301 -0.000) 0.301 20.914 ( 0.000 -4.963 0.000) 4.963 21.800 ( 0.000 -2.282 0.000) 2.282 22.376 ( 0.000 -1.685 0.000) 1.685 22.484 ( -0.000 2.309 -0.000) 2.309 24.262 ( -0.000 1.393 -0.000) 1.393 24.318 ( -0.000 0.118 -0.000) 0.118 24.579 ( 0.000 -4.167 0.000) 4.167 25.178 ( -0.000 3.606 -0.000) 3.606 25.252 ( -0.000 25.389 -0.000) 25.389 25.868 ( -0.000 1.211 -0.000) 1.211 26.374 ( -0.000 5.425 -0.000) 5.425 27.251 ( 0.000 -8.861 0.000) 8.861 27.411 ( 0.000 -16.631 0.000) 16.631 27.549 ( 0.000 -5.514 0.000) 5.514 29.299 ( 0.000 -3.090 0.000) 3.090 ======================= Grid point 51 (17/128) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.393 0.000 39.294) 39.984 0.886 ( 1.491 0.000 41.840) 41.866 1.591 ( -7.629 -0.000 71.541) 71.947 3.015 ( -0.395 -0.000 9.131) 9.139 3.231 ( 0.770 0.000 1.977) 2.122 3.492 ( 3.116 0.000 5.840) 6.619 3.634 ( -4.093 -0.000 3.139) 5.158 3.960 ( 6.738 0.000 22.719) 23.698 4.357 ( -12.630 -0.000 6.543) 14.224 4.520 ( -5.229 -0.000 -7.153) 8.861 4.779 ( 1.580 0.000 0.473) 1.650 4.783 ( 3.134 0.000 -7.172) 7.827 5.215 ( -5.300 -0.000 -12.304) 13.396 5.394 ( -11.094 -0.000 21.697) 24.369 5.557 ( -9.008 -0.000 -0.301) 9.013 5.696 ( -0.264 -0.000 7.827) 7.832 5.962 ( 3.907 0.000 -0.506) 3.939 6.190 ( -3.381 -0.000 2.401) 4.147 6.520 ( -0.109 -0.000 9.876) 9.876 6.864 ( 2.378 0.000 -11.138) 11.389 6.905 ( 14.285 0.000 -2.544) 14.509 7.383 ( 12.336 0.000 10.176) 15.991 7.616 ( -8.952 -0.000 10.815) 14.040 8.016 ( 2.162 0.000 14.975) 15.130 8.482 ( 7.495 0.000 -12.825) 14.855 8.563 ( 8.029 0.000 -16.762) 18.586 8.686 ( -13.504 -0.000 -15.058) 20.227 8.719 ( 5.944 0.000 -1.406) 6.108 9.257 ( -5.830 -0.000 6.902) 9.035 9.836 ( 4.744 0.000 0.285) 4.753 9.885 ( 1.132 0.000 -3.796) 3.962 10.042 ( 7.367 0.000 8.671) 11.378 10.532 ( -22.341 -0.000 20.382) 30.241 10.926 ( 12.447 0.000 -13.266) 18.191 11.291 ( -5.406 -0.000 -6.730) 8.632 11.421 ( -0.654 -0.000 -7.476) 7.504 11.549 ( -10.036 -0.000 -4.795) 11.123 12.085 ( -6.747 -0.000 8.907) 11.174 12.234 ( -5.915 -0.000 -10.081) 11.688 12.459 ( -5.771 -0.000 1.583) 5.984 12.700 ( 16.719 0.000 6.744) 18.028 12.821 ( 6.151 0.000 8.240) 10.283 15.201 ( 3.776 0.000 -7.724) 8.597 16.083 ( 7.037 0.000 -15.470) 16.995 16.181 ( 5.076 0.000 -7.541) 9.090 16.693 ( 35.490 0.000 10.674) 37.061 16.809 ( 16.220 0.000 -22.161) 27.463 17.927 ( -6.776 -0.000 -6.310) 9.259 18.583 ( -9.074 -0.000 5.234) 10.475 18.918 ( -2.328 -0.000 3.626) 4.309 19.006 ( -3.705 -0.000 -4.947) 6.180 19.006 ( -2.145 -0.000 -9.471) 9.711 19.364 ( -4.700 -0.000 -1.214) 4.854 20.057 ( -2.613 -0.000 4.337) 5.064 20.287 ( 1.275 0.000 15.633) 15.685 20.769 ( 1.790 0.000 5.154) 5.456 21.397 ( -4.833 -0.000 -2.971) 5.673 21.449 ( -29.370 -0.000 3.665) 29.598 21.873 ( -0.377 -0.000 1.039) 1.105 22.255 ( -0.070 -0.000 1.656) 1.657 22.408 ( 48.022 0.000 -3.992) 48.188 23.190 ( 7.227 0.000 -2.930) 7.798 24.393 ( -1.267 -0.000 7.480) 7.587 24.660 ( 1.741 0.000 6.463) 6.693 25.346 ( -3.777 -0.000 1.097) 3.933 25.538 ( 2.241 0.000 2.517) 3.371 25.947 ( 15.302 0.000 -1.405) 15.367 26.909 ( -48.852 -0.000 -4.838) 49.091 27.176 ( -0.388 -0.000 0.500) 0.633 27.272 ( -2.315 -0.000 3.897) 4.533 28.068 ( -12.694 -0.000 -7.537) 14.763 28.364 ( 16.332 0.000 0.193) 16.334 ======================= Grid point 52 (18/128) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 14.458 -7.896 34.711) 38.422 1.391 ( 7.127 -29.394 31.767) 43.862 2.163 ( 16.803 -33.690 48.298) 61.237 3.063 ( -3.446 -3.680 3.734) 6.274 3.230 ( 3.817 4.221 4.398) 7.192 3.447 ( -12.788 -0.721 10.789) 16.747 3.671 ( 5.451 0.044 2.136) 5.855 3.945 ( -2.801 10.791 24.752) 27.147 4.223 ( -10.489 1.150 4.729) 11.563 4.453 ( -2.811 -2.698 0.603) 3.943 4.727 ( -6.456 2.756 -10.638) 12.745 4.828 ( -4.587 -3.347 -2.590) 6.241 5.119 ( -6.526 1.176 -9.632) 11.694 5.247 ( -16.272 0.112 -2.994) 16.546 5.487 ( -5.522 -2.814 25.549) 26.290 5.658 ( -4.711 4.402 9.432) 11.425 5.875 ( -1.127 13.752 0.301) 13.801 6.058 ( -6.118 0.687 8.827) 10.762 6.503 ( -4.163 0.720 13.075) 13.741 6.674 ( 4.010 20.821 -10.767) 23.781 7.005 ( 5.648 -2.978 3.271) 7.174 7.468 ( -11.849 6.976 13.591) 19.334 7.599 ( 14.400 -2.533 7.781) 16.562 8.201 ( 15.136 6.180 8.839) 18.585 8.458 ( -7.045 4.882 -13.432) 15.933 8.588 ( 10.544 -5.930 -17.229) 21.052 8.666 ( 7.375 -5.660 0.300) 9.302 8.916 ( 7.243 -14.431 -14.912) 21.980 9.151 ( -5.288 7.095 8.703) 12.411 9.870 ( 8.003 6.376 -10.733) 14.829 9.893 ( 1.845 0.110 1.365) 2.298 10.134 ( -0.532 -2.521 10.818) 11.121 10.503 ( -12.968 -13.864 15.901) 24.763 10.985 ( 3.724 0.287 -6.232) 7.265 11.167 ( -3.538 3.371 -13.222) 14.096 11.334 ( -11.033 3.745 -2.468) 11.910 11.460 ( -1.315 -3.437 -6.187) 7.198 11.835 ( -4.018 26.630 7.902) 28.066 12.014 ( 2.657 5.400 8.270) 10.228 12.385 ( -13.085 -7.415 -3.859) 15.527 12.740 ( 7.320 7.676 4.112) 11.376 13.155 ( -3.419 -19.297 1.279) 19.640 15.354 ( 3.787 -13.255 -12.276) 18.459 16.029 ( -2.739 7.697 -11.724) 14.290 16.122 ( 3.579 0.424 -12.954) 13.446 16.887 ( 16.791 5.871 -16.220) 24.072 17.215 ( 37.244 -1.951 5.493) 37.697 17.831 ( -6.779 -3.210 -7.870) 10.872 18.386 ( -14.466 6.001 4.961) 16.429 18.839 ( 0.469 6.378 -2.443) 6.846 18.938 ( -1.385 0.734 3.799) 4.110 19.025 ( -8.078 -3.350 -11.047) 14.090 19.370 ( 1.866 -3.714 -0.394) 4.175 20.007 ( -2.714 3.069 5.276) 6.679 20.388 ( 1.445 -2.902 12.900) 13.301 20.700 ( -20.156 21.547 28.329) 40.903 20.827 ( -5.682 1.371 9.843) 11.448 21.370 ( -14.313 -1.831 -6.300) 15.745 21.900 ( -2.630 -3.615 1.266) 4.646 22.254 ( 2.504 2.701 1.555) 3.998 22.838 ( 29.117 0.781 -21.997) 36.500 23.349 ( 26.083 5.203 -3.930) 26.885 24.407 ( -1.252 -0.075 8.360) 8.453 24.697 ( -0.100 0.842 8.603) 8.644 25.042 ( -7.680 29.245 25.748) 39.714 25.452 ( -3.474 10.965 5.360) 12.690 25.769 ( -9.762 11.118 11.174) 18.541 26.058 ( 10.049 1.790 -2.279) 10.458 27.261 ( -0.314 -1.143 2.107) 2.417 27.833 ( -14.296 -1.439 -9.247) 17.087 28.316 ( -13.840 -49.223 -25.689) 57.222 28.605 ( 10.238 -12.494 -8.284) 18.153 ======================= Grid point 53 (19/128) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 16.788 -8.378 26.489) 32.461 2.034 ( 12.536 -25.874 22.305) 36.389 2.853 ( -4.525 -9.640 7.868) 13.240 3.066 ( -2.662 -1.163 -1.913) 3.479 3.297 ( 0.190 0.592 15.372) 15.385 3.321 ( -5.760 -4.097 16.922) 18.339 3.685 ( 3.063 -2.980 5.072) 6.632 3.940 ( 7.347 1.565 13.529) 15.475 4.165 ( -7.250 -4.259 0.203) 8.411 4.400 ( -17.614 2.671 -12.102) 21.537 4.548 ( -5.717 -8.441 7.336) 12.560 4.816 ( -2.949 2.088 0.871) 3.717 5.050 ( -3.497 -3.618 -2.299) 5.532 5.182 ( -5.939 -2.996 8.424) 10.734 5.534 ( 2.039 4.460 4.654) 6.761 5.606 ( -6.418 10.123 4.135) 12.679 5.640 ( -4.932 -3.019 25.857) 26.496 6.112 ( -2.038 -4.272 -2.316) 5.269 6.280 ( 3.491 19.924 -0.941) 20.249 6.526 ( -4.743 0.824 11.158) 12.152 7.062 ( -2.334 7.848 16.139) 18.097 7.260 ( -6.847 8.919 10.389) 15.308 7.796 ( 7.986 -3.322 -0.535) 8.666 8.049 ( -5.100 7.440 -17.807) 19.962 8.436 ( 7.882 2.678 12.563) 15.070 8.705 ( 7.022 2.382 -5.715) 9.362 8.835 ( 8.712 -2.813 -1.228) 9.237 9.024 ( -3.654 -1.254 -1.645) 4.199 9.178 ( 9.425 -4.389 -3.791) 11.067 9.829 ( -0.398 -5.123 -9.622) 10.908 9.935 ( 6.737 -1.044 -5.379) 8.684 10.185 ( -4.604 -4.063 4.647) 7.701 10.633 ( -9.468 -7.373 4.813) 12.929 10.919 ( -2.377 3.127 1.942) 4.382 11.091 ( 4.487 7.371 -13.091) 15.679 11.188 ( -8.838 -2.872 -3.219) 9.834 11.353 ( -5.947 10.109 2.302) 11.952 11.633 ( 2.657 -0.401 0.641) 2.762 12.035 ( 4.459 1.069 7.911) 9.144 12.304 ( -7.470 3.579 2.559) 8.669 12.706 ( 4.334 2.489 -3.690) 6.212 13.362 ( -6.441 -13.212 1.320) 14.757 15.584 ( 2.903 -15.763 -10.746) 19.297 15.825 ( -3.461 7.570 -8.619) 11.982 16.116 ( 6.927 3.345 -13.260) 15.330 16.834 ( 9.630 15.324 -7.942) 19.765 17.445 ( 10.525 2.009 -11.511) 15.726 18.010 ( 14.797 -12.785 4.363) 20.036 18.186 ( -10.565 1.551 -0.208) 10.680 18.724 ( -3.302 6.979 1.263) 7.823 18.890 ( -4.711 1.575 -9.883) 11.061 18.948 ( -0.266 0.813 2.610) 2.746 19.464 ( -0.088 -4.750 2.782) 5.505 19.956 ( -1.631 2.411 5.869) 6.551 20.322 ( -10.724 12.099 25.537) 30.224 20.481 ( -2.250 0.334 10.425) 10.670 20.839 ( -0.375 -1.581 2.688) 3.141 21.220 ( -9.083 0.974 -2.780) 9.549 21.935 ( -2.286 -3.622 1.435) 4.517 22.230 ( 2.254 4.179 1.501) 4.980 22.998 ( 7.134 -6.380 -20.236) 22.385 23.502 ( 23.522 8.218 -5.015) 25.416 24.419 ( -1.776 0.218 9.545) 9.711 24.603 ( -4.466 10.485 18.345) 21.596 24.839 ( -3.357 0.683 14.825) 15.215 25.287 ( -2.921 6.909 2.261) 7.834 25.697 ( 0.581 1.794 2.290) 2.967 26.130 ( 4.510 -1.375 -2.432) 5.305 27.302 ( 1.233 -2.797 2.222) 3.779 27.647 ( -11.358 2.649 -5.759) 13.007 28.633 ( -3.993 -17.709 -13.277) 22.491 28.816 ( 1.529 -9.262 -11.669) 14.976 ======================= Grid point 54 (20/128) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 18.984 -6.022 17.767) 26.689 2.545 ( -7.010 -10.669 2.008) 12.923 2.676 ( -4.844 -0.365 11.118) 12.133 2.915 ( -12.965 17.974 10.503) 24.525 3.028 ( -1.927 7.273 1.172) 7.615 3.534 ( 2.231 1.548 10.482) 10.828 3.764 ( -5.769 0.858 -14.774) 15.884 4.109 ( 4.620 -4.720 10.541) 12.439 4.234 ( 0.226 -14.640 -4.786) 15.404 4.380 ( -3.909 -9.212 13.404) 16.727 4.640 ( -3.890 -7.315 5.001) 9.677 4.754 ( 1.264 1.209 3.691) 4.085 5.159 ( -1.870 -12.206 8.209) 14.828 5.216 ( -4.296 -4.329 6.419) 8.854 5.325 ( -0.559 21.490 5.036) 22.080 5.512 ( -0.432 5.651 3.386) 6.602 5.760 ( -0.484 -2.539 22.809) 22.955 5.921 ( -0.605 7.897 -0.025) 7.920 6.331 ( -4.672 -10.144 8.545) 14.062 6.498 ( -2.537 -0.873 2.845) 3.911 6.862 ( -9.213 8.850 16.290) 20.701 7.051 ( -5.970 16.364 17.776) 24.888 7.737 ( -10.905 -4.308 -21.913) 24.852 8.087 ( 14.691 -2.359 -1.789) 14.987 8.476 ( 5.558 7.405 8.367) 12.479 8.683 ( -3.004 0.070 2.582) 3.962 8.971 ( 5.982 0.091 -5.581) 8.181 8.982 ( 3.333 -0.370 0.008) 3.354 9.255 ( 1.904 0.968 0.487) 2.191 9.889 ( -5.853 -2.546 9.326) 11.301 10.077 ( 5.306 -9.286 -23.156) 25.506 10.256 ( 4.494 -9.122 -1.506) 10.280 10.518 ( -8.500 3.783 -1.520) 9.427 10.838 ( -6.558 10.741 -10.981) 16.702 11.010 ( 8.698 0.425 0.042) 8.709 11.067 ( -2.038 1.494 -4.860) 5.478 11.327 ( -2.481 -0.131 11.809) 12.068 11.666 ( -2.837 -3.819 -5.811) 7.510 12.110 ( -0.342 0.399 8.106) 8.123 12.175 ( -1.804 1.918 5.714) 6.292 12.760 ( 10.219 -0.422 -3.866) 10.934 13.428 ( -8.554 -4.779 0.286) 9.802 15.668 ( -5.023 1.540 -9.081) 10.492 15.838 ( 8.661 -9.256 -8.896) 15.486 16.084 ( 6.898 2.840 -15.447) 17.154 16.590 ( 4.499 19.863 -5.298) 21.044 17.494 ( 5.815 -3.265 -14.447) 15.912 18.094 ( -4.431 -1.952 -3.060) 5.727 18.337 ( 3.099 -4.113 -0.466) 5.171 18.577 ( -4.962 1.913 8.652) 10.155 18.832 ( 2.254 -1.013 -7.814) 8.196 18.987 ( 3.711 -2.618 2.482) 5.175 19.510 ( -3.359 -0.772 8.713) 9.370 19.939 ( -0.418 0.812 6.695) 6.758 20.148 ( -7.172 7.000 17.244) 19.944 20.426 ( -2.595 5.016 3.174) 6.478 20.893 ( 1.874 -2.037 3.477) 4.444 21.153 ( -3.985 -1.987 2.117) 4.931 21.964 ( -0.584 -1.130 0.995) 1.615 22.193 ( -0.093 2.072 1.527) 2.576 23.070 ( -4.023 -8.540 -20.053) 22.164 23.566 ( 15.876 8.849 -6.114) 19.176 24.421 ( -2.775 0.393 10.473) 10.841 24.499 ( -3.881 3.874 14.883) 15.861 24.850 ( -2.982 0.808 10.972) 11.399 25.198 ( -1.943 1.216 2.522) 3.408 25.688 ( 1.046 1.449 1.095) 2.096 26.176 ( 1.730 -1.022 -2.390) 3.123 27.388 ( 2.402 -2.464 1.526) 3.764 27.497 ( -3.845 1.372 -1.602) 4.386 28.717 ( -16.683 -12.849 -16.200) 26.568 28.940 ( 17.941 2.207 -2.552) 18.256 ======================= Grid point 55 (21/128) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -32.007 6.288 -3.958) 32.858 2.305 ( 1.969 15.407 23.332) 28.030 2.493 ( 4.442 14.942 7.547) 17.319 2.952 ( 9.107 1.672 2.855) 9.690 3.036 ( 4.208 -11.325 6.433) 13.687 3.415 ( -1.826 10.642 -0.677) 10.818 3.673 ( -2.383 7.298 -6.988) 10.381 4.068 ( -17.634 2.152 3.938) 18.196 4.406 ( -4.083 -9.931 -1.554) 10.850 4.472 ( -3.405 6.505 26.382) 27.385 4.681 ( 5.327 -4.595 4.708) 8.465 4.898 ( -0.404 17.138 8.339) 19.063 4.996 ( 10.354 -9.835 -2.602) 14.515 5.206 ( 0.917 4.159 0.989) 4.372 5.349 ( 1.868 4.398 3.418) 5.875 5.486 ( -5.537 -8.670 16.015) 19.035 5.837 ( 1.652 -1.945 12.130) 12.396 5.982 ( -3.117 -13.229 12.159) 18.237 6.403 ( -2.766 13.379 6.399) 15.086 6.458 ( -7.692 -13.923 -0.769) 15.925 6.735 ( -7.106 8.839 10.821) 15.675 6.946 ( -3.671 -10.764 17.804) 21.126 7.670 ( -6.455 -6.682 -19.089) 21.230 8.239 ( 11.816 5.880 4.472) 13.935 8.451 ( 3.853 2.172 3.851) 5.865 8.594 ( -7.503 -0.487 -5.113) 9.093 8.968 ( 4.734 8.005 -5.809) 10.965 9.076 ( 5.161 0.377 8.396) 9.863 9.267 ( -11.770 -14.044 0.446) 18.329 9.841 ( -1.344 6.934 3.113) 7.719 10.075 ( -0.675 2.032 -12.108) 12.296 10.327 ( -6.198 9.079 -6.067) 12.557 10.534 ( 10.676 -7.185 -13.100) 18.363 10.680 ( 2.617 -6.304 -5.101) 8.521 11.033 ( 3.087 -1.001 -0.683) 3.317 11.167 ( 6.838 -4.948 0.879) 8.486 11.249 ( -7.988 8.082 16.911) 20.374 11.686 ( -3.510 -7.321 -9.901) 12.804 12.036 ( -2.860 4.085 6.542) 8.226 12.275 ( -3.333 -9.654 3.066) 10.663 12.891 ( 16.560 3.104 3.209) 17.151 13.323 ( -9.954 5.205 -0.543) 11.246 15.584 ( 0.177 1.118 -14.965) 15.008 15.907 ( 10.005 8.896 -7.311) 15.254 16.140 ( 10.455 2.365 -10.227) 14.815 16.394 ( 3.252 0.731 -13.638) 14.039 17.527 ( -5.152 -2.003 -11.218) 12.506 18.021 ( -12.203 -1.041 -7.564) 14.395 18.337 ( 8.441 0.201 3.149) 9.011 18.591 ( -4.327 -3.318 -1.316) 5.609 18.879 ( 0.799 -2.062 0.520) 2.271 19.148 ( 5.321 -8.092 4.707) 10.768 19.481 ( -2.910 3.338 10.669) 11.552 19.963 ( -1.046 -0.894 8.993) 9.097 20.050 ( -2.898 3.052 10.325) 11.150 20.346 ( -0.877 3.676 5.918) 7.022 20.915 ( 0.592 3.082 4.555) 5.532 21.221 ( 2.402 -6.272 2.701) 7.239 21.957 ( 2.102 3.316 0.579) 3.969 22.185 ( -3.283 -2.871 1.313) 4.554 23.039 ( -13.535 -8.019 -21.402) 26.562 23.525 ( 7.975 10.050 -6.861) 14.549 24.413 ( -3.632 0.435 9.136) 9.841 24.488 ( -2.912 -1.391 14.004) 14.371 24.809 ( -2.638 3.952 10.223) 11.273 25.230 ( -1.691 -5.890 3.691) 7.154 25.679 ( 0.379 1.127 1.022) 1.568 26.183 ( -1.343 -0.586 -1.900) 2.400 27.340 ( -2.863 3.013 -0.003) 4.157 27.615 ( 11.344 -4.995 2.890) 12.728 28.620 ( -17.392 -5.835 -13.366) 22.698 29.091 ( 22.836 6.619 -5.038) 24.304 ======================= Grid point 56 (22/128) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -33.756 16.023 1.166) 37.384 1.826 ( -17.701 29.158 26.407) 43.137 2.545 ( 8.685 25.655 19.481) 33.364 3.063 ( 13.912 -0.175 6.581) 15.391 3.212 ( 0.729 7.647 -1.432) 7.814 3.259 ( -6.807 8.124 5.274) 11.839 3.296 ( -0.286 3.837 6.386) 7.455 3.893 ( -8.550 -0.383 -1.157) 8.636 4.402 ( -5.255 -0.191 17.187) 17.973 4.466 ( -7.705 -6.197 -0.005) 9.887 4.802 ( 3.804 4.827 4.601) 7.677 4.933 ( 11.538 -1.966 13.946) 18.207 5.046 ( -0.204 -1.826 -8.842) 9.031 5.268 ( 4.655 -2.136 2.569) 5.730 5.329 ( 2.748 0.589 6.838) 7.393 5.616 ( 0.644 -3.589 30.469) 30.686 5.931 ( -1.767 -1.002 10.471) 10.667 6.103 ( -7.202 12.931 6.991) 16.369 6.288 ( -6.060 -22.656 -3.155) 23.664 6.559 ( -5.414 -2.994 8.550) 10.554 6.676 ( -1.132 -9.418 -0.151) 9.487 7.155 ( -1.169 -8.917 9.507) 13.086 7.657 ( -3.126 -4.093 -12.821) 13.817 8.146 ( 1.876 12.091 7.722) 14.469 8.544 ( 1.207 -0.662 -2.723) 3.051 8.568 ( -3.222 -8.434 -2.870) 9.474 8.809 ( 2.825 10.253 -10.401) 14.875 9.110 ( -3.390 -2.181 8.840) 9.716 9.364 ( -12.738 -3.829 -5.001) 14.210 9.671 ( 5.393 7.855 -5.528) 11.016 10.009 ( -0.291 2.014 -3.148) 3.748 10.103 ( -4.418 6.686 -4.940) 9.414 10.647 ( 11.823 1.027 -9.771) 15.372 10.921 ( -0.148 -11.333 3.515) 11.866 11.065 ( -1.746 4.333 9.612) 10.688 11.190 ( 1.700 -11.090 8.891) 14.315 11.312 ( 7.342 -2.261 2.816) 8.182 11.741 ( -5.234 -6.993 -6.757) 11.043 11.980 ( -3.953 -1.400 0.531) 4.227 12.396 ( -3.907 -10.235 1.154) 11.016 13.009 ( 12.648 10.065 10.579) 19.318 13.062 ( -5.427 11.752 -3.017) 13.292 15.519 ( 3.515 3.172 -21.589) 22.102 15.846 ( 16.450 12.191 -3.226) 20.728 16.113 ( 14.965 10.470 -7.954) 19.921 16.520 ( 5.005 -12.129 -23.249) 26.696 17.264 ( -27.753 6.644 -9.967) 30.228 17.961 ( -0.918 -2.674 -2.368) 3.688 18.488 ( 4.056 -2.598 7.876) 9.232 18.621 ( 1.928 -9.786 -15.443) 18.384 18.919 ( -1.360 -2.669 4.770) 5.632 19.306 ( -0.597 -4.601 6.899) 8.314 19.427 ( -0.445 3.760 3.989) 5.500 19.965 ( -3.876 -1.366 7.199) 8.290 20.123 ( 5.668 -4.134 21.063) 22.201 20.326 ( -0.978 2.137 12.936) 13.148 20.860 ( -0.016 5.042 4.374) 6.675 21.379 ( 7.372 -5.080 0.823) 8.991 21.924 ( 3.677 4.663 0.760) 5.987 22.210 ( -4.903 -5.030 0.772) 7.067 22.884 ( -24.335 -7.593 -23.710) 34.814 23.390 ( 1.482 10.054 -6.725) 12.187 24.395 ( -2.720 0.587 7.691) 8.179 24.563 ( -2.018 -5.312 11.755) 13.057 24.781 ( -4.169 -2.003 17.357) 17.962 25.344 ( -1.132 -8.255 3.427) 9.010 25.670 ( 0.356 0.978 2.186) 2.421 26.164 ( -5.694 -2.871 -0.284) 6.383 27.282 ( -1.051 1.994 1.348) 2.626 27.847 ( 16.170 -3.431 2.902) 16.783 28.456 ( -16.735 -2.556 -11.470) 20.449 29.154 ( 27.163 18.071 -15.439) 36.094 ======================= Grid point 57 (23/128) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -22.612 14.469 22.266) 34.877 1.240 ( -10.310 36.557 27.651) 46.982 1.892 ( -21.907 39.354 51.566) 68.467 3.059 ( -1.133 7.266 7.024) 10.169 3.190 ( -0.472 -4.179 -0.749) 4.272 3.366 ( 14.781 -2.393 4.533) 15.645 3.497 ( 15.060 -7.535 17.005) 23.932 3.827 ( -4.688 -0.583 3.719) 6.012 4.429 ( -10.842 -4.329 9.203) 14.865 4.479 ( -3.022 -6.492 0.929) 7.221 4.773 ( 1.005 3.477 0.422) 3.644 4.880 ( 1.671 7.116 -5.658) 9.244 5.288 ( -2.989 -3.373 -9.245) 10.285 5.313 ( 14.775 -4.080 24.302) 28.732 5.477 ( 3.280 -8.282 7.075) 11.376 5.704 ( -3.230 8.901 13.474) 16.468 5.864 ( -2.075 -6.532 21.250) 22.328 6.009 ( 1.308 0.541 13.785) 13.857 6.445 ( -6.351 -3.324 11.409) 13.475 6.697 ( -0.285 -18.869 -9.010) 20.911 6.836 ( 2.926 -4.205 -2.748) 5.813 7.249 ( 4.683 -1.350 3.133) 5.793 7.640 ( -3.970 -1.331 1.351) 4.399 8.058 ( -6.347 -0.098 8.084) 10.278 8.516 ( 2.889 4.977 -4.002) 7.009 8.580 ( -2.895 -0.348 -8.562) 9.045 8.702 ( 4.394 3.521 -16.000) 16.962 9.023 ( -9.862 14.276 -17.222) 24.447 9.201 ( -5.523 -8.366 10.954) 14.849 9.756 ( 5.305 -3.909 3.758) 7.586 9.939 ( -5.874 0.776 -8.033) 9.982 10.007 ( 2.906 4.434 2.220) 5.748 10.689 ( -5.422 1.193 7.784) 9.561 10.863 ( 4.848 5.492 -0.334) 7.334 11.272 ( 2.483 -10.403 -4.760) 11.707 11.389 ( 3.709 -2.428 -0.198) 4.437 11.574 ( 8.420 -24.181 18.302) 31.473 11.696 ( -6.456 -1.487 4.035) 7.757 12.052 ( -4.816 -13.548 -2.943) 14.676 12.528 ( 3.331 -5.501 2.207) 6.799 12.679 ( -11.495 15.777 0.371) 19.524 13.033 ( 15.230 18.727 4.709) 24.593 15.377 ( 5.568 13.316 -22.210) 26.488 15.927 ( 23.960 3.690 -0.542) 24.249 16.103 ( 13.912 7.510 -8.925) 18.155 16.656 ( 4.341 -5.024 -23.079) 24.015 16.798 ( -19.764 7.241 -5.893) 21.858 17.983 ( -2.516 -1.668 -2.723) 4.065 18.554 ( -0.527 -4.382 1.294) 4.600 18.818 ( 4.236 -11.977 -10.929) 16.758 18.954 ( -2.796 -1.851 6.919) 7.689 19.245 ( -1.713 10.483 -3.645) 11.230 19.412 ( -6.644 -3.366 1.417) 7.582 20.010 ( -1.393 -4.410 7.179) 8.540 20.286 ( 1.467 5.360 13.898) 14.968 20.557 ( 13.866 -23.365 32.885) 42.657 20.843 ( 5.642 -1.823 14.722) 15.871 21.516 ( 12.727 2.153 -2.278) 13.108 21.903 ( 5.145 4.489 0.990) 6.899 22.233 ( -5.046 -4.395 0.422) 6.705 22.574 ( -37.386 -4.235 -21.582) 43.375 23.232 ( -0.438 6.654 -5.505) 8.648 24.388 ( -1.787 0.265 7.204) 7.427 24.628 ( 2.006 0.516 5.024) 5.434 25.032 ( -7.210 -30.160 28.576) 42.169 25.466 ( -0.651 -6.578 2.088) 6.932 25.701 ( 6.315 -1.626 7.671) 10.068 26.193 ( -18.225 -20.427 6.475) 28.131 27.257 ( -0.503 0.902 1.954) 2.210 28.071 ( 15.129 -0.960 1.258) 15.211 28.269 ( -13.364 1.006 -11.150) 17.434 28.833 ( 21.121 55.742 -40.845) 72.261 ======================= Grid point 59 (24/128) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 14.184 0.000 35.587) 38.309 1.390 ( 16.155 0.000 36.179) 39.622 2.403 ( 35.532 0.000 43.138) 55.888 3.002 ( -5.322 -0.000 3.336) 6.281 3.297 ( -18.128 -0.000 16.740) 24.675 3.343 ( 6.601 0.000 6.393) 9.189 3.701 ( -0.714 -0.000 -0.793) 1.067 4.076 ( -3.698 -0.000 10.366) 11.006 4.160 ( -12.478 -0.000 29.215) 31.768 4.281 ( -10.166 -0.000 -8.858) 13.484 4.539 ( -25.346 -0.000 -19.172) 31.780 4.752 ( -3.102 -0.000 -2.603) 4.050 5.073 ( -1.518 -0.000 -7.280) 7.437 5.129 ( 1.039 0.000 1.120) 1.528 5.481 ( -7.039 -0.000 34.162) 34.880 5.697 ( 0.177 0.000 1.857) 1.866 5.949 ( -17.011 -0.000 8.181) 18.876 6.061 ( 3.735 0.000 2.105) 4.287 6.470 ( -3.540 -0.000 8.957) 9.631 6.892 ( 6.643 0.000 -10.604) 12.513 6.943 ( -1.355 -0.000 -4.594) 4.790 7.402 ( -15.903 -0.000 12.714) 20.361 7.769 ( 9.994 0.000 15.953) 18.825 8.249 ( -15.306 -0.000 -19.244) 24.589 8.590 ( 11.537 0.000 -4.770) 12.484 8.620 ( 24.990 0.000 -3.166) 25.190 8.772 ( 22.201 0.000 -17.836) 28.478 8.821 ( 1.947 0.000 -4.425) 4.835 9.165 ( -6.610 -0.000 8.519) 10.782 9.957 ( 6.369 0.000 -3.448) 7.242 10.009 ( 10.495 0.000 -7.773) 13.060 10.158 ( -21.705 -0.000 18.637) 28.609 10.219 ( -1.378 -0.000 15.364) 15.426 10.959 ( -1.526 -0.000 -6.967) 7.132 11.108 ( -4.716 -0.000 -9.581) 10.678 11.299 ( -5.528 -0.000 -0.197) 5.531 11.358 ( -1.674 -0.000 -14.262) 14.360 11.973 ( -27.958 -0.000 4.579) 28.330 12.078 ( -2.909 -0.000 -4.429) 5.299 12.167 ( 3.574 0.000 13.461) 13.927 12.906 ( 2.513 0.000 2.940) 3.868 12.943 ( 1.684 0.000 0.502) 1.757 15.281 ( 7.546 0.000 -9.076) 11.803 16.027 ( -5.129 -0.000 -11.090) 12.219 16.165 ( 10.382 0.000 -12.202) 16.021 17.069 ( 14.795 0.000 -10.995) 18.433 17.586 ( 24.308 0.000 5.695) 24.967 17.647 ( -11.268 -0.000 -14.576) 18.423 18.282 ( -10.845 -0.000 0.904) 10.883 18.863 ( -3.206 -0.000 0.525) 3.248 18.931 ( -0.541 -0.000 -5.140) 5.168 18.944 ( 0.541 0.000 -5.469) 5.496 19.383 ( 4.808 0.000 0.939) 4.899 20.007 ( -3.922 -0.000 4.809) 6.206 20.434 ( 3.621 0.000 12.284) 12.807 20.651 ( -31.813 -0.000 30.932) 44.372 20.831 ( -0.647 -0.000 7.439) 7.467 21.218 ( -7.699 -0.000 -5.632) 9.539 21.863 ( -1.225 -0.000 2.235) 2.549 22.319 ( 4.162 0.000 0.942) 4.267 22.825 ( -2.738 -0.000 -18.196) 18.401 23.783 ( 31.884 0.000 -21.295) 38.341 24.420 ( -1.489 -0.000 9.070) 9.192 24.715 ( -1.671 -0.000 9.056) 9.209 25.277 ( -2.836 -0.000 1.602) 3.257 25.639 ( 5.084 0.000 1.675) 5.353 25.690 ( -24.292 -0.000 18.989) 30.833 26.518 ( 3.282 0.000 -12.229) 12.662 27.170 ( -0.474 -0.000 0.587) 0.754 27.254 ( -1.110 -0.000 2.530) 2.763 27.724 ( -11.104 -0.000 -5.590) 12.432 28.755 ( 17.014 0.000 -0.387) 17.019 ======================= Grid point 60 (25/128) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 14.594 -8.151 28.882) 33.370 1.869 ( 17.379 -20.849 25.458) 37.213 2.765 ( -13.947 0.655 16.696) 21.765 2.961 ( -6.117 -3.862 1.745) 7.442 3.332 ( 16.008 -4.952 26.915) 31.704 3.414 ( 6.978 2.821 4.652) 8.848 3.695 ( -2.788 -1.319 1.097) 3.273 3.956 ( -17.751 -2.231 -6.101) 18.902 4.013 ( -9.505 2.790 8.417) 12.999 4.240 ( -9.185 2.592 -1.223) 9.622 4.367 ( -3.516 -9.981 16.572) 19.663 4.757 ( -3.203 -5.229 -1.185) 6.245 5.033 ( 1.276 1.194 -4.269) 4.613 5.172 ( 4.173 1.844 2.073) 5.011 5.540 ( -6.191 -1.466 22.883) 23.750 5.660 ( -4.402 2.184 20.477) 21.058 5.828 ( -1.724 6.830 -1.063) 7.124 5.977 ( -0.220 2.313 0.382) 2.355 6.509 ( -2.066 -0.448 12.238) 12.420 6.736 ( 6.614 22.535 -7.626) 24.693 7.046 ( -0.555 -13.305 -4.200) 13.963 7.205 ( -16.897 6.413 9.138) 20.252 7.896 ( 3.353 -2.626 8.163) 9.208 7.956 ( -13.726 9.443 -16.891) 23.725 8.654 ( 9.391 2.626 -4.574) 10.771 8.734 ( -6.574 0.063 -3.085) 7.263 8.933 ( 21.206 -0.136 1.657) 21.271 9.042 ( 5.037 -0.751 -7.062) 8.707 9.134 ( 9.713 -8.011 -1.310) 12.658 9.842 ( -8.136 10.993 5.611) 14.782 10.024 ( 7.504 -0.436 -4.982) 9.018 10.087 ( -0.587 0.150 -0.921) 1.102 10.389 ( -6.638 -12.266 11.850) 18.302 10.966 ( -2.786 2.916 2.496) 4.743 11.004 ( -3.109 -4.258 -14.728) 15.643 11.190 ( -0.404 4.632 -5.061) 6.872 11.329 ( -6.303 -1.463 -3.171) 7.206 11.656 ( -14.728 3.244 3.460) 15.472 12.066 ( -1.310 -0.551 -1.405) 1.998 12.254 ( 1.913 0.035 12.721) 12.864 12.878 ( 4.770 5.897 0.764) 7.623 13.062 ( -4.657 -13.115 -2.838) 14.204 15.389 ( 5.121 -7.007 -10.169) 13.369 15.886 ( -2.684 5.598 -8.753) 10.731 16.251 ( 13.327 2.031 -9.213) 16.328 17.090 ( 3.627 8.104 -4.642) 10.019 17.453 ( -3.225 2.590 -17.774) 18.249 17.845 ( -5.044 -12.601 0.472) 13.582 18.257 ( 13.775 2.337 -1.645) 14.069 18.804 ( -2.905 5.661 4.228) 7.640 18.845 ( -2.205 2.927 -11.241) 11.823 18.968 ( 1.380 -1.324 1.444) 2.397 19.451 ( 4.784 -0.314 2.937) 5.622 19.973 ( -3.231 1.051 5.500) 6.465 20.399 ( -18.883 6.440 26.982) 33.557 20.521 ( 2.861 -0.369 9.591) 10.016 20.833 ( -1.111 0.096 3.462) 3.637 21.126 ( -6.784 -0.404 -1.839) 7.040 21.874 ( -1.590 -2.170 2.811) 3.891 22.336 ( 3.794 3.883 0.180) 5.432 22.763 ( -8.765 -6.916 -15.339) 18.972 23.931 ( 21.588 7.372 -17.936) 29.019 24.429 ( -2.439 0.097 9.666) 9.969 24.724 ( -2.931 -0.008 8.970) 9.436 25.071 ( -1.517 22.972 16.290) 28.203 25.377 ( -5.525 9.992 8.283) 14.106 25.740 ( 2.505 -0.560 1.536) 2.991 26.248 ( 6.886 11.587 -4.636) 14.254 27.273 ( 0.119 -2.637 2.402) 3.569 27.523 ( -8.994 -6.348 -6.257) 12.663 27.817 ( -12.921 -38.746 -11.754) 42.501 28.934 ( 14.993 -0.971 -1.757) 15.127 ======================= Grid point 61 (26/128) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.838 -5.766 12.107) 13.436 2.433 ( 14.994 -14.630 14.738) 25.614 2.519 ( -19.108 -2.846 19.896) 27.732 2.917 ( -10.705 -2.363 1.575) 11.075 3.250 ( -5.087 17.111 8.219) 19.652 3.583 ( -12.385 1.346 -4.451) 13.230 3.646 ( 8.791 -1.542 -1.377) 9.031 3.990 ( -1.378 -9.258 4.455) 10.366 4.098 ( 3.489 -10.010 0.354) 10.607 4.218 ( -4.397 -8.192 12.606) 15.663 4.588 ( 10.028 -7.817 18.919) 22.795 4.799 ( -0.143 -1.308 2.367) 2.708 5.058 ( 1.751 -3.830 -0.102) 4.213 5.199 ( 4.660 -0.001 3.623) 5.903 5.504 ( -4.613 1.634 10.983) 12.023 5.659 ( 3.612 6.888 6.423) 10.086 5.808 ( 1.993 -0.265 24.725) 24.807 6.027 ( -0.666 -4.178 -4.433) 6.128 6.352 ( -0.310 24.393 4.104) 24.738 6.485 ( -3.927 3.072 8.648) 9.982 6.929 ( -14.800 8.381 8.212) 18.887 7.190 ( -3.194 -2.486 5.391) 6.741 7.568 ( -12.509 10.602 -16.402) 23.193 8.030 ( 1.220 -10.202 0.802) 10.306 8.595 ( -10.607 1.514 -7.670) 13.176 8.697 ( 8.278 3.209 -1.344) 8.979 8.928 ( -3.842 5.343 0.810) 6.630 9.100 ( 0.966 -0.171 9.746) 9.796 9.429 ( 15.637 1.151 -4.667) 16.359 9.730 ( -0.304 -5.929 -1.327) 6.083 10.030 ( 2.084 3.679 -4.206) 5.964 10.164 ( 6.955 -8.696 -5.242) 12.307 10.459 ( -4.508 -1.648 2.165) 5.265 10.807 ( -9.557 5.605 -0.376) 11.086 11.006 ( -3.552 -3.209 -15.176) 15.913 11.154 ( 7.541 2.325 -2.302) 8.221 11.336 ( -0.835 -3.639 10.366) 11.018 11.549 ( -8.487 -2.053 -3.124) 9.274 12.066 ( -0.463 -1.189 -0.114) 1.282 12.240 ( -3.633 6.315 13.092) 14.983 12.920 ( 12.810 0.118 1.694) 12.922 13.183 ( -7.996 -11.746 -5.218) 15.137 15.494 ( -2.966 -6.334 -5.064) 8.635 15.816 ( 6.605 -1.595 -17.050) 18.354 16.291 ( 13.378 8.932 -8.024) 17.976 16.905 ( 0.077 13.579 -2.402) 13.790 17.372 ( -4.744 -3.925 -18.014) 19.037 17.900 ( -8.222 -7.652 -5.731) 12.609 18.432 ( 13.534 0.803 1.246) 13.615 18.623 ( -5.882 9.114 5.680) 12.244 18.815 ( 2.578 -1.643 -6.303) 7.005 19.012 ( 2.953 -0.931 1.593) 3.482 19.497 ( 0.552 0.356 6.322) 6.356 19.951 ( -2.208 0.175 6.265) 6.645 20.220 ( -11.157 5.655 20.617) 24.115 20.511 ( 0.099 5.211 0.697) 5.259 20.894 ( 4.309 -4.020 5.505) 8.064 21.081 ( -4.703 -1.704 2.452) 5.571 21.911 ( -1.683 -3.474 2.851) 4.799 22.288 ( 2.676 5.983 -0.393) 6.566 22.730 ( -12.865 -8.974 -13.924) 20.974 23.942 ( 16.761 10.618 -15.389) 25.110 24.425 ( -3.389 0.315 9.684) 10.264 24.663 ( -0.159 10.084 11.294) 15.142 24.871 ( -1.787 5.162 15.961) 16.870 25.231 ( -3.561 5.944 3.306) 7.677 25.753 ( 2.940 2.696 0.663) 4.044 26.207 ( 3.819 2.449 -2.760) 5.311 27.360 ( 1.149 -4.327 1.635) 4.766 27.471 ( -0.630 -1.259 -1.034) 1.747 28.137 ( -17.646 -26.750 -13.889) 34.927 29.105 ( 13.644 -2.175 -3.560) 14.268 ======================= Grid point 62 (27/128) ======================= q-point: (-0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -31.789 4.502 6.143) 32.689 2.606 ( -12.901 10.940 10.233) 19.769 2.693 ( 19.774 -3.334 22.054) 29.808 2.954 ( 2.519 -6.577 1.621) 7.227 3.023 ( -0.708 -1.093 10.559) 10.639 3.429 ( -8.076 -0.293 -8.880) 12.007 3.735 ( 5.835 2.264 -2.101) 6.602 3.938 ( -13.583 2.886 4.445) 14.581 4.209 ( -0.449 -7.407 -1.866) 7.652 4.506 ( 2.985 -14.000 17.308) 22.461 4.798 ( 4.193 6.808 10.711) 13.366 4.896 ( 8.271 -8.982 -3.455) 12.689 5.149 ( -4.669 -0.942 4.443) 6.514 5.276 ( 3.570 2.563 4.363) 6.193 5.467 ( 13.298 10.104 9.364) 19.147 5.585 ( 3.450 10.300 6.327) 12.571 5.873 ( -5.384 0.990 14.513) 15.511 5.897 ( -1.707 2.721 4.186) 5.276 6.199 ( -7.625 -5.337 10.455) 13.997 6.505 ( -1.992 -0.157 4.432) 4.862 6.755 ( -7.203 -2.145 11.845) 14.028 6.967 ( -10.660 16.727 17.378) 26.371 7.431 ( -3.968 -7.151 -17.207) 19.052 8.193 ( -5.477 -9.071 4.839) 11.649 8.491 ( -2.679 -2.670 -8.792) 9.571 8.653 ( 3.171 7.863 -10.997) 13.886 8.892 ( -1.967 -5.311 5.379) 7.811 9.065 ( -13.416 -1.934 10.208) 16.969 9.373 ( 10.832 19.281 0.179) 22.115 9.857 ( -1.465 -6.151 -1.049) 6.410 10.047 ( 4.818 -0.921 1.521) 5.135 10.399 ( -0.402 6.755 -14.067) 15.609 10.422 ( 10.925 -12.878 -7.921) 18.653 10.627 ( -3.703 0.238 -2.944) 4.737 10.991 ( -2.619 -3.342 -7.194) 8.353 11.252 ( 12.361 0.503 -0.371) 12.377 11.369 ( -2.923 4.056 13.645) 14.532 11.495 ( -5.414 -5.121 -8.806) 11.537 12.095 ( -1.798 -1.936 -0.936) 2.803 12.105 ( -8.329 4.056 13.600) 16.456 13.121 ( 15.970 -1.688 5.276) 16.904 13.207 ( -8.312 -4.652 -5.782) 11.143 15.501 ( -3.323 -2.901 -5.567) 7.103 15.958 ( 9.248 -10.300 -22.211) 26.171 16.224 ( 10.475 9.442 -10.770) 17.745 16.698 ( 8.253 17.426 0.917) 19.303 17.303 ( -14.868 -5.311 -16.491) 22.830 17.904 ( -1.534 -2.167 -5.666) 6.257 18.450 ( 4.107 3.494 2.452) 5.924 18.516 ( -4.093 1.992 3.287) 5.615 18.870 ( 1.958 -0.984 -0.095) 2.193 19.093 ( 2.509 -5.144 -0.409) 5.738 19.501 ( -2.550 0.422 9.382) 9.732 19.955 ( -2.624 -0.381 7.349) 7.813 20.111 ( -5.332 3.076 15.016) 16.229 20.437 ( 2.550 4.634 -0.359) 5.302 20.974 ( -0.818 1.794 7.353) 7.613 21.153 ( 4.238 -8.211 2.018) 9.458 21.962 ( -1.064 -3.763 2.460) 4.620 22.219 ( 3.176 6.295 -0.568) 7.074 22.651 ( -16.857 -6.636 -12.635) 22.087 23.858 ( 12.273 14.385 -14.195) 23.644 24.411 ( -3.490 0.576 9.290) 9.940 24.554 ( -0.685 6.802 12.963) 14.655 24.861 ( -2.975 1.312 12.410) 12.829 25.150 ( -3.173 -0.341 2.341) 3.958 25.732 ( 1.521 3.175 1.091) 3.686 26.192 ( 1.252 2.341 -2.365) 3.555 27.349 ( -2.097 1.581 -0.122) 2.629 27.656 ( 13.235 -8.541 3.508) 16.138 28.216 ( -18.225 -14.592 -12.104) 26.298 29.275 ( 12.417 -3.174 -7.351) 14.775 ======================= Grid point 63 (28/128) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -23.425 10.108 16.024) 30.127 2.185 ( -11.938 26.206 22.506) 36.549 2.942 ( 7.478 -0.731 6.651) 10.034 3.090 ( 7.737 -8.933 3.986) 12.472 3.252 ( 7.299 -5.151 5.707) 10.601 3.356 ( 1.458 3.361 3.130) 4.819 3.619 ( -0.436 24.663 0.595) 24.674 3.724 ( -13.746 -1.953 4.773) 14.681 4.288 ( -3.814 -5.236 -0.428) 6.492 4.579 ( -3.301 20.212 26.556) 33.535 4.816 ( -0.365 -14.439 -3.764) 14.926 4.936 ( -3.560 4.701 3.383) 6.799 5.032 ( 6.506 0.483 -5.339) 8.430 5.334 ( 1.608 0.957 7.881) 8.101 5.469 ( 3.027 6.687 0.674) 7.372 5.634 ( 5.299 -5.540 11.188) 13.563 5.864 ( -9.218 -4.925 5.466) 11.795 5.972 ( -1.200 -8.453 9.643) 12.879 6.262 ( -5.997 6.736 1.502) 9.143 6.453 ( 2.982 -7.076 16.827) 18.496 6.627 ( -6.945 6.258 11.010) 14.443 7.026 ( -0.582 -13.337 18.910) 23.147 7.462 ( -1.686 -6.693 -14.243) 15.827 8.231 ( -6.203 -2.469 6.708) 9.464 8.475 ( -3.130 2.207 -6.466) 7.514 8.577 ( 5.472 -0.201 -7.031) 8.912 8.902 ( -9.916 3.326 1.149) 10.522 9.062 ( -3.719 -9.441 1.983) 10.339 9.184 ( 1.402 10.690 6.190) 12.432 9.872 ( 4.479 4.181 -11.481) 13.014 10.084 ( 1.131 8.890 6.015) 10.793 10.157 ( 1.544 6.816 -12.750) 14.540 10.713 ( 8.887 -12.043 -9.088) 17.510 10.743 ( 6.276 -7.823 -1.893) 10.206 11.015 ( -5.290 -7.879 1.449) 9.600 11.192 ( -1.790 8.093 5.145) 9.756 11.456 ( 11.853 2.494 9.001) 15.091 11.517 ( -4.068 -8.023 -9.499) 13.082 11.950 ( -8.160 3.699 3.941) 9.787 12.181 ( -4.692 -10.057 4.830) 12.103 13.081 ( -8.938 5.081 -7.699) 12.844 13.319 ( 13.958 2.487 9.301) 16.956 15.509 ( 2.819 -1.908 -10.979) 11.495 16.030 ( 4.833 2.285 -18.035) 18.810 16.319 ( 13.808 -9.229 -17.265) 23.957 16.541 ( 8.242 14.574 -1.642) 16.824 17.073 ( -15.364 5.504 -8.279) 18.300 17.922 ( 1.601 -1.467 -2.122) 3.036 18.434 ( -7.128 -0.246 -1.620) 7.314 18.538 ( 7.226 -4.331 0.769) 8.460 18.890 ( -0.419 -0.964 3.556) 3.709 19.179 ( -4.471 -6.301 -1.009) 7.792 19.497 ( -1.003 1.393 7.207) 7.408 19.933 ( -3.775 0.279 5.686) 6.831 20.141 ( -1.965 -4.427 20.117) 20.692 20.422 ( 3.848 3.070 4.286) 6.527 20.922 ( -3.510 3.405 5.741) 7.541 21.358 ( 5.748 -8.682 -0.899) 10.451 22.026 ( 1.419 -3.647 2.303) 4.540 22.159 ( 4.511 6.481 -1.607) 8.058 22.497 ( -15.785 -2.013 -8.444) 18.014 23.662 ( 6.055 17.105 -12.552) 22.064 24.397 ( -2.897 0.223 8.782) 9.250 24.525 ( -2.953 -0.082 14.239) 14.543 24.828 ( -2.480 3.226 11.472) 12.172 25.198 ( -2.004 -7.445 2.395) 8.073 25.701 ( -0.171 2.002 2.145) 2.939 26.146 ( -0.283 3.058 -2.163) 3.756 27.307 ( -0.679 1.920 1.054) 2.293 27.970 ( 18.013 -6.418 3.168) 19.383 28.154 ( -16.874 -7.702 -10.139) 21.139 29.398 ( 8.770 -0.819 -16.286) 18.516 ======================= Grid point 64 (29/128) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.813 12.891 29.813) 32.491 1.737 ( -5.135 28.577 31.728) 43.007 2.752 ( 0.957 54.393 18.094) 57.332 3.098 ( 0.858 -6.761 0.499) 6.834 3.157 ( -2.682 4.159 3.295) 5.945 3.456 ( 2.220 -3.982 7.728) 8.972 3.583 ( 11.021 -0.902 11.823) 16.188 3.717 ( -6.532 -9.043 13.960) 17.869 4.287 ( -6.815 -1.896 2.167) 7.398 4.445 ( 0.021 3.407 12.993) 13.432 4.827 ( -5.892 2.407 -3.016) 7.043 4.910 ( -2.316 -1.724 -12.399) 12.731 5.130 ( 1.337 -5.883 -1.634) 6.251 5.335 ( -8.611 -4.288 9.588) 13.581 5.458 ( 4.527 1.639 4.356) 6.493 5.747 ( -16.715 2.632 15.762) 23.125 5.757 ( -7.009 -5.089 5.844) 10.449 6.086 ( 0.532 7.254 10.982) 13.172 6.236 ( 3.633 -22.190 -5.068) 23.050 6.529 ( -2.900 0.032 11.518) 11.877 6.819 ( 9.949 -10.439 14.563) 20.495 7.282 ( 3.134 -10.483 16.091) 19.458 7.521 ( 4.095 -3.711 -10.261) 11.654 8.141 ( -1.978 8.944 10.499) 13.933 8.434 ( -5.170 -7.968 -10.717) 14.321 8.659 ( 6.527 1.806 3.966) 7.848 8.720 ( -3.130 6.106 -12.081) 13.894 9.078 ( -2.578 -0.746 7.591) 8.052 9.125 ( -2.622 5.047 -6.366) 8.536 9.776 ( 9.627 4.993 -18.122) 21.120 9.942 ( -3.183 3.220 -1.041) 4.646 10.147 ( 4.457 4.742 7.241) 9.735 10.741 ( -3.800 7.306 4.965) 9.616 10.938 ( 2.114 -3.546 -1.484) 4.387 11.097 ( 0.188 -9.574 -7.735) 12.310 11.316 ( 6.751 -14.444 8.032) 17.852 11.478 ( -3.518 -4.130 -6.266) 8.288 11.542 ( -4.212 1.659 8.032) 9.220 11.903 ( 0.136 -3.238 1.888) 3.751 12.358 ( -0.950 -13.814 3.585) 14.303 12.818 ( -8.231 11.639 -5.469) 15.268 13.372 ( 5.913 9.382 6.212) 12.711 15.523 ( 8.107 4.736 -17.413) 19.782 16.000 ( 1.811 -1.570 -14.604) 14.799 16.259 ( -11.375 8.444 -9.852) 17.256 16.634 ( 15.004 -10.654 -18.020) 25.755 16.943 ( 21.063 10.224 6.376) 24.266 17.929 ( -1.865 0.732 -2.579) 3.266 18.391 ( -8.432 -5.973 -1.325) 10.418 18.699 ( 5.128 -6.942 -1.728) 8.802 18.922 ( -1.624 -1.968 5.284) 5.868 19.172 ( -10.442 -3.720 -5.619) 12.428 19.451 ( 0.412 6.265 1.338) 6.420 19.947 ( -1.770 -3.612 6.725) 7.836 20.328 ( -5.479 -12.415 25.999) 29.328 20.444 ( 2.288 -0.684 13.802) 14.007 20.852 ( -3.585 2.082 5.826) 7.151 21.486 ( -6.066 -6.943 -6.671) 11.380 22.041 ( -8.494 3.867 -2.823) 9.750 22.155 ( 8.533 -2.165 1.699) 8.966 22.444 ( 18.673 1.568 -0.755) 18.754 23.403 ( 0.969 14.330 -9.078) 16.991 24.398 ( -1.793 0.089 8.146) 8.342 24.593 ( -4.061 -7.285 16.304) 18.313 24.811 ( -3.356 -0.948 16.167) 16.539 25.322 ( -1.778 -9.174 1.841) 9.524 25.694 ( -1.164 -1.359 4.390) 4.741 26.081 ( 0.020 3.913 -1.945) 4.369 27.279 ( -0.158 1.645 1.788) 2.435 28.003 ( -15.467 -2.976 -8.928) 18.105 28.284 ( 18.933 -3.062 1.965) 19.279 29.276 ( -4.241 14.934 -33.893) 37.279 ======================= Grid point 67 (30/128) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 17.035 0.000 27.392) 32.257 1.972 ( 12.061 0.000 24.195) 27.034 2.574 ( -30.438 -0.000 25.193) 39.511 2.832 ( -11.308 -0.000 0.614) 11.324 3.519 ( -12.963 -0.000 -11.940) 17.624 3.556 ( 8.033 0.000 5.511) 9.742 3.674 ( 11.457 0.000 6.819) 13.333 3.730 ( 6.055 0.000 5.234) 8.003 4.019 ( -8.540 -0.000 -5.547) 10.183 4.083 ( -13.069 -0.000 19.751) 23.683 4.450 ( 12.524 0.000 32.520) 34.848 4.662 ( -1.113 -0.000 -5.535) 5.646 5.042 ( 1.147 0.000 -4.325) 4.475 5.266 ( 5.115 0.000 -0.308) 5.124 5.535 ( -8.257 -0.000 23.641) 25.041 5.678 ( -11.262 -0.000 22.151) 24.850 5.756 ( 4.321 0.000 0.223) 4.327 6.186 ( 7.022 0.000 2.789) 7.556 6.495 ( 0.838 0.000 6.606) 6.659 6.809 ( -13.482 -0.000 -3.253) 13.869 7.002 ( 8.615 0.000 -8.536) 12.128 7.154 ( -7.231 -0.000 3.677) 8.112 7.720 ( -9.793 -0.000 -25.077) 26.921 8.030 ( -2.712 -0.000 13.472) 13.742 8.601 ( -12.294 -0.000 -9.737) 15.683 8.683 ( 5.554 0.000 -12.743) 13.901 8.998 ( -13.486 -0.000 3.730) 13.992 9.185 ( 13.546 0.000 11.643) 17.862 9.199 ( 18.154 0.000 -8.730) 20.144 9.900 ( -5.052 -0.000 4.007) 6.449 9.983 ( 0.371 0.000 -3.699) 3.717 10.216 ( 10.653 0.000 -2.806) 11.017 10.313 ( 5.485 0.000 15.653) 16.586 10.818 ( -5.788 -0.000 -20.352) 21.159 11.032 ( -0.435 -0.000 3.217) 3.247 11.180 ( -9.240 -0.000 7.837) 12.115 11.253 ( 0.731 0.000 -9.217) 9.246 11.445 ( -20.993 -0.000 8.042) 22.481 12.085 ( 4.845 0.000 -1.410) 5.046 12.349 ( 2.974 0.000 13.181) 13.513 12.898 ( -3.464 -0.000 -6.580) 7.436 12.947 ( 1.104 0.000 1.291) 1.699 15.384 ( 8.550 0.000 -13.906) 16.324 15.873 ( -3.852 -0.000 -4.590) 5.992 16.391 ( 15.154 0.000 -7.315) 16.827 17.050 ( -15.320 -0.000 -8.178) 17.367 17.493 ( 10.773 0.000 -15.320) 18.729 17.600 ( -13.367 -0.000 -5.672) 14.520 18.453 ( 17.821 0.000 -0.882) 17.843 18.799 ( -0.889 -0.000 -6.984) 7.041 18.911 ( -0.698 -0.000 3.892) 3.954 18.922 ( -0.561 -0.000 -1.614) 1.709 19.547 ( 7.983 0.000 4.296) 9.066 19.964 ( -3.158 -0.000 6.160) 6.922 20.328 ( -16.572 -0.000 23.713) 28.930 20.562 ( 0.108 0.000 5.121) 5.123 20.833 ( -0.025 -0.000 2.845) 2.845 21.058 ( -5.057 -0.000 2.814) 5.787 21.849 ( -1.822 -0.000 3.467) 3.916 22.416 ( 4.112 0.000 -0.528) 4.146 22.554 ( -10.487 -0.000 -11.544) 15.596 24.090 ( 10.633 0.000 -14.873) 18.283 24.432 ( -3.045 -0.000 9.570) 10.043 24.698 ( -5.002 -0.000 8.470) 9.837 25.250 ( -1.205 -0.000 3.412) 3.619 25.511 ( -3.810 -0.000 11.585) 12.196 25.760 ( 5.023 0.000 -0.175) 5.026 26.434 ( -2.547 -0.000 -12.546) 12.802 27.164 ( -0.453 -0.000 0.910) 1.016 27.259 ( 0.207 0.000 2.049) 2.059 27.545 ( -3.393 -0.000 -2.426) 4.171 29.060 ( 11.467 0.000 -3.219) 11.911 ======================= Grid point 68 (31/128) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -26.842 3.496 13.206) 30.118 2.282 ( 5.644 -13.093 21.267) 25.604 2.554 ( 9.242 -5.218 26.348) 28.405 2.721 ( -13.119 -4.011 0.117) 13.719 3.290 ( -14.388 1.300 -9.754) 17.431 3.540 ( -4.759 9.679 6.900) 12.804 3.737 ( 2.933 -0.279 -0.242) 2.956 3.831 ( -5.809 -9.225 3.576) 11.473 4.037 ( 5.529 -6.352 4.449) 9.524 4.163 ( 5.120 -1.470 18.455) 19.208 4.682 ( 5.524 -3.292 3.606) 7.373 4.757 ( 8.394 -5.244 19.027) 21.447 5.032 ( 0.576 -0.398 -4.108) 4.167 5.254 ( -1.494 0.661 -3.641) 3.991 5.549 ( 3.656 0.518 16.466) 16.875 5.691 ( -7.457 -0.875 28.181) 29.164 5.885 ( 3.869 -9.123 8.214) 12.871 6.083 ( 6.720 14.676 0.825) 16.163 6.552 ( -3.466 5.081 10.147) 11.866 6.678 ( -13.961 -2.438 -5.156) 15.081 6.879 ( 1.661 16.942 -1.745) 17.112 7.133 ( 3.488 -1.702 -0.743) 3.952 7.543 ( -6.331 4.330 -23.803) 25.009 7.977 ( -3.272 2.828 10.520) 11.374 8.428 ( -13.850 -1.000 -10.919) 17.665 8.718 ( 0.630 -2.562 -11.137) 11.445 8.869 ( -15.444 -4.529 6.590) 17.392 9.185 ( -1.662 10.599 9.752) 14.498 9.441 ( 10.953 -9.838 -6.108) 15.940 9.873 ( 12.457 6.292 -1.346) 14.020 10.035 ( 2.882 -5.084 -4.704) 7.502 10.230 ( 7.987 7.649 -4.189) 11.826 10.460 ( 7.182 -0.546 9.422) 11.860 10.770 ( -7.354 -7.570 -17.801) 20.694 10.860 ( -9.746 10.186 6.729) 15.621 11.195 ( -0.537 -5.713 4.565) 7.332 11.276 ( 2.989 -2.883 4.108) 5.841 11.374 ( -11.479 -6.549 5.106) 14.168 12.119 ( 5.071 2.739 -0.767) 5.815 12.352 ( -2.029 5.967 10.470) 12.221 12.911 ( -5.059 -9.224 -8.266) 13.379 12.996 ( 5.008 -3.312 3.402) 6.901 15.435 ( 5.669 -0.645 -11.593) 12.921 15.803 ( 0.041 0.935 -10.826) 10.866 16.525 ( 13.652 3.694 -6.209) 15.446 16.851 ( -14.565 -4.748 -12.234) 19.605 17.318 ( -5.019 9.480 -11.736) 15.900 17.705 ( 3.717 -9.861 -6.814) 12.549 18.603 ( 10.612 2.725 0.072) 10.956 18.740 ( -2.219 7.018 -3.232) 8.039 18.813 ( 1.849 1.882 1.228) 2.910 19.002 ( 0.662 -3.580 1.651) 3.997 19.599 ( 4.930 5.060 4.823) 8.554 19.950 ( -2.351 0.324 6.961) 7.354 20.220 ( -11.827 2.577 19.245) 22.735 20.538 ( -3.302 0.362 -4.508) 5.600 20.901 ( 5.131 -3.808 6.937) 9.432 21.027 ( -4.407 -0.112 6.580) 7.920 21.855 ( -2.104 -2.058 3.546) 4.609 22.386 ( -0.698 3.218 -3.516) 4.817 22.484 ( -5.147 -3.335 -6.075) 8.632 24.114 ( 6.936 2.848 -13.153) 15.140 24.425 ( -3.197 0.333 9.262) 9.804 24.683 ( -5.081 -1.910 6.366) 8.366 25.163 ( 2.082 12.955 6.352) 14.578 25.352 ( -2.462 13.719 7.568) 15.860 25.815 ( 3.072 0.482 -0.983) 3.261 26.308 ( 2.889 5.635 -4.408) 7.715 27.277 ( -1.799 -7.270 0.762) 7.528 27.393 ( 0.206 -11.475 -0.788) 11.504 27.587 ( -4.808 -13.530 -3.409) 14.758 29.170 ( 8.067 -2.170 -5.120) 9.798 ======================= Grid point 69 (32/128) ======================= q-point: (-0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -26.826 2.961 18.223) 32.565 2.493 ( -8.702 -7.296 5.273) 12.521 2.746 ( 0.578 -10.298 1.431) 10.412 2.864 ( -0.457 -13.992 6.826) 15.575 3.155 ( 5.984 13.677 15.434) 21.473 3.316 ( -8.490 1.691 7.737) 11.610 3.811 ( -0.511 -1.006 2.662) 2.892 3.853 ( -4.548 -1.916 -3.471) 6.034 4.205 ( 0.932 -1.616 10.827) 10.986 4.335 ( 7.226 -10.040 6.624) 14.032 4.837 ( 6.495 -6.882 -0.054) 9.463 4.903 ( 0.195 -3.964 10.254) 10.995 5.069 ( -5.037 -5.270 3.816) 8.228 5.258 ( -1.515 -4.522 -1.600) 5.030 5.640 ( -5.401 -1.228 14.149) 15.195 5.694 ( 2.220 3.690 12.012) 12.761 5.969 ( 4.049 7.036 3.713) 8.927 6.142 ( 2.196 -7.601 18.432) 20.058 6.246 ( -1.602 29.522 -0.943) 29.580 6.528 ( 2.754 7.161 5.586) 9.491 6.681 ( -9.145 1.876 10.614) 14.136 7.151 ( -9.946 11.755 7.092) 16.953 7.314 ( 5.158 0.519 -16.158) 16.970 8.032 ( 0.620 -6.186 2.493) 6.698 8.333 ( -5.198 -7.875 -9.949) 13.712 8.662 ( -5.163 1.871 -12.085) 13.275 8.835 ( -12.556 -5.696 5.046) 14.683 8.988 ( -3.114 9.992 9.017) 13.815 9.651 ( 0.303 -8.996 -1.978) 9.216 9.859 ( 12.017 16.161 -3.703) 20.477 10.125 ( 7.610 -1.428 3.513) 8.503 10.281 ( 5.001 -8.575 -9.765) 13.924 10.527 ( 7.728 4.345 -4.601) 9.988 10.590 ( -7.495 4.238 3.022) 9.125 10.831 ( -3.564 -7.185 -10.220) 12.991 11.321 ( -4.187 -2.657 0.776) 5.019 11.340 ( -1.231 -4.609 7.635) 9.003 11.420 ( 6.589 -3.996 5.717) 9.595 12.099 ( 1.328 3.932 1.723) 4.494 12.194 ( -7.321 10.210 7.543) 14.654 12.987 ( -4.364 -9.236 -9.931) 14.247 13.191 ( 7.715 -8.725 8.061) 14.164 15.437 ( 0.025 -0.079 -4.632) 4.632 15.832 ( 6.738 -7.105 -23.109) 25.098 16.422 ( -0.833 9.617 -11.012) 14.644 16.919 ( 5.379 -9.427 -7.525) 13.207 17.058 ( -7.381 10.818 -12.805) 18.316 17.859 ( 5.498 -4.726 -3.272) 7.954 18.539 ( -2.341 6.643 1.897) 7.295 18.621 ( 2.553 8.329 5.381) 10.240 18.876 ( 3.407 -2.642 -1.636) 4.611 19.047 ( -0.171 -1.382 -0.387) 1.446 19.543 ( -1.122 4.988 5.177) 7.276 19.952 ( -1.918 0.103 7.923) 8.152 20.124 ( -7.954 2.105 14.622) 16.778 20.489 ( -0.519 0.443 -5.814) 5.854 20.996 ( -4.671 0.692 6.419) 7.969 21.079 ( 5.090 -7.213 6.985) 11.257 21.889 ( -2.033 -3.659 3.013) 5.158 22.352 ( 4.439 1.794 -2.091) 5.224 22.434 ( -5.665 0.433 -4.646) 7.339 24.067 ( 5.313 6.321 -14.433) 16.628 24.415 ( -2.834 0.504 9.008) 9.457 24.669 ( -3.145 1.250 3.349) 4.761 24.971 ( -0.105 14.217 13.045) 19.295 25.178 ( -3.347 5.980 4.776) 8.353 25.801 ( 0.962 3.251 -0.881) 3.503 26.261 ( 2.555 4.401 -1.800) 5.398 27.337 ( -0.924 -1.585 -0.227) 1.849 27.640 ( 12.138 -13.405 3.610) 18.441 27.745 ( -12.042 -16.901 -6.699) 21.806 29.271 ( 4.369 -4.460 -8.135) 10.255 ======================= Grid point 70 (33/128) ======================= q-point: (-0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -7.334 3.521 25.632) 26.892 2.445 ( -4.381 6.581 5.078) 9.396 2.840 ( -5.712 -9.039 -5.651) 12.094 3.038 ( -5.685 0.445 15.696) 16.700 3.123 ( -1.111 -14.001 5.973) 15.263 3.448 ( 11.138 -3.849 9.158) 14.924 3.659 ( -9.268 4.872 4.031) 11.220 3.897 ( 6.744 5.741 0.163) 8.859 4.236 ( 2.385 0.624 3.947) 4.654 4.559 ( -2.548 -10.863 0.051) 11.158 4.894 ( -5.444 0.420 3.536) 6.505 4.963 ( -2.364 7.095 3.841) 8.407 5.113 ( 3.249 0.384 8.876) 9.460 5.340 ( -3.988 -8.595 0.456) 9.486 5.544 ( -12.047 5.988 12.006) 18.031 5.643 ( -7.234 -2.659 0.583) 7.730 5.774 ( -1.847 22.449 11.239) 25.173 5.957 ( -0.458 1.649 2.525) 3.050 6.240 ( 1.474 -3.199 6.596) 7.477 6.579 ( 9.201 4.306 19.117) 21.648 6.719 ( -4.097 1.167 6.463) 7.740 6.847 ( -10.364 -1.359 18.638) 21.369 7.413 ( 11.345 -3.198 -7.936) 14.210 8.153 ( 4.307 -4.879 4.712) 8.035 8.429 ( -8.941 -3.640 -18.984) 21.297 8.506 ( 1.924 -0.498 -4.059) 4.520 8.816 ( -8.808 -5.957 6.188) 12.303 8.918 ( -0.241 0.043 2.762) 2.773 9.556 ( 2.594 22.512 5.934) 23.425 9.816 ( -0.234 -6.556 -3.173) 7.287 10.246 ( 5.237 1.561 2.590) 6.047 10.303 ( 4.906 9.401 -12.007) 16.019 10.586 ( 6.119 -9.855 -7.585) 13.860 10.620 ( 0.788 -9.620 -2.643) 10.008 10.872 ( -1.312 -4.583 -6.784) 8.291 11.224 ( -7.481 2.540 1.507) 8.043 11.432 ( 0.503 -1.439 1.040) 1.845 11.626 ( 14.238 -4.554 6.974) 16.495 11.950 ( -10.532 9.800 5.747) 15.491 12.072 ( -1.963 -0.784 4.779) 5.225 12.993 ( -5.220 -1.403 -11.659) 12.851 13.427 ( 5.332 -6.396 10.046) 13.048 15.460 ( 2.114 -4.149 -4.012) 6.147 15.965 ( 6.637 -6.488 -26.996) 28.547 16.292 ( 0.628 -2.295 -10.120) 10.396 16.699 ( -13.031 15.328 -13.820) 24.408 17.105 ( 15.405 -1.573 -4.744) 16.196 17.941 ( 5.170 0.120 -1.612) 5.417 18.484 ( -1.550 7.544 13.872) 15.867 18.535 ( 2.562 -0.349 -4.389) 5.094 18.912 ( 0.733 0.762 1.848) 2.129 19.039 ( -4.304 -1.928 -4.984) 6.862 19.502 ( -2.510 -0.531 6.613) 7.093 19.932 ( -2.944 1.758 6.059) 6.962 20.105 ( -4.755 -2.294 15.637) 16.504 20.475 ( -0.233 -0.416 -1.994) 2.051 20.943 ( -4.069 2.185 5.259) 6.999 21.240 ( -0.985 -7.273 2.377) 7.715 21.944 ( -1.632 -4.666 2.022) 5.341 22.312 ( -3.568 5.901 -1.989) 7.177 22.445 ( 14.345 -1.220 -1.071) 14.436 23.908 ( 2.191 13.396 -17.195) 21.908 24.405 ( -2.515 0.797 9.350) 9.715 24.577 ( -4.283 5.664 8.782) 11.294 24.863 ( -4.983 1.775 12.846) 13.893 25.132 ( 0.453 -0.207 3.755) 3.788 25.742 ( -1.096 3.425 -0.062) 3.597 26.205 ( 1.107 4.169 -1.768) 4.662 27.335 ( 0.538 1.212 0.795) 1.546 27.791 ( -14.466 -10.726 -7.092) 19.355 28.053 ( 20.208 -12.589 3.858) 24.119 29.330 ( -1.469 -4.315 -13.561) 14.306 ======================= Grid point 71 (34/128) ======================= q-point: (-0.14 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 10.888 5.945 27.235) 29.927 2.243 ( 5.510 22.468 20.632) 30.997 2.947 ( -4.192 -9.722 -0.862) 10.623 3.054 ( -4.378 -4.134 -7.254) 9.428 3.261 ( -15.500 -11.945 8.667) 21.402 3.457 ( -4.526 8.258 14.958) 17.675 3.730 ( 16.608 4.639 7.565) 18.830 3.784 ( 6.904 11.430 6.289) 14.760 4.250 ( -1.042 1.270 2.901) 3.334 4.558 ( -11.280 0.306 -5.441) 12.528 4.718 ( -1.111 11.108 2.965) 11.551 4.826 ( -5.940 1.396 4.910) 7.832 5.164 ( 1.991 2.750 3.106) 4.601 5.313 ( -10.104 6.716 13.240) 17.958 5.415 ( -6.851 -7.459 -4.328) 11.013 5.586 ( -10.220 -2.556 10.129) 14.615 5.688 ( -6.475 -0.740 16.631) 17.862 5.951 ( -1.144 -9.187 -7.303) 11.792 6.278 ( 2.722 7.594 7.716) 11.164 6.561 ( -4.498 3.823 8.004) 9.945 6.801 ( 6.468 -10.763 25.057) 28.028 7.048 ( -7.590 -16.981 17.398) 25.469 7.629 ( 22.683 -2.702 -6.566) 23.769 8.166 ( -13.102 1.274 -20.323) 24.214 8.320 ( 5.598 -0.546 12.493) 13.701 8.610 ( -0.031 -6.540 -0.225) 6.544 8.815 ( 5.434 4.246 -4.507) 8.238 9.024 ( -1.442 -11.395 1.117) 11.540 9.242 ( -0.557 17.886 4.330) 18.411 9.899 ( 1.716 -2.525 -1.016) 3.217 10.053 ( 8.350 17.804 -24.926) 31.749 10.262 ( -2.585 4.174 12.680) 13.597 10.718 ( -4.976 -7.929 -7.156) 11.783 10.855 ( 6.694 -7.107 -5.841) 11.377 10.943 ( -0.115 -9.471 0.413) 9.481 11.158 ( -3.524 -5.543 -0.396) 6.581 11.384 ( -5.476 4.377 0.987) 7.080 11.709 ( -0.502 9.976 3.552) 10.601 11.900 ( 9.289 -4.512 7.528) 12.779 12.150 ( -1.421 -10.954 4.410) 11.894 12.838 ( -7.356 6.271 -10.985) 14.632 13.520 ( -0.713 2.583 7.218) 7.700 15.585 ( 9.121 -4.807 -6.992) 12.457 15.942 ( -0.627 2.392 -19.581) 19.737 16.237 ( -14.665 11.940 -11.495) 22.131 16.501 ( 9.501 -15.304 -11.273) 21.250 17.282 ( 20.058 1.114 -6.004) 20.967 17.986 ( 5.899 1.550 0.789) 6.150 18.332 ( -2.384 9.562 4.075) 10.664 18.634 ( -0.015 -6.581 1.533) 6.758 18.911 ( -0.495 0.009 3.189) 3.227 18.985 ( -7.432 -2.392 -8.364) 11.441 19.516 ( -1.412 0.771 5.889) 6.104 19.912 ( -1.373 -1.081 5.814) 6.071 20.177 ( -6.279 -7.030 20.340) 22.418 20.476 ( -2.552 -0.928 4.632) 5.369 20.880 ( -2.119 2.929 3.374) 4.945 21.285 ( -7.904 -4.517 -1.730) 9.267 21.991 ( -2.410 -1.734 0.285) 2.983 22.194 ( -1.344 2.906 1.358) 3.477 22.724 ( 30.156 -4.151 -3.731) 30.669 23.598 ( -3.482 15.959 -13.756) 21.355 24.403 ( -2.197 -0.115 9.948) 10.189 24.521 ( -5.639 -1.203 14.165) 15.294 24.843 ( -2.877 1.008 11.279) 11.683 25.196 ( -0.032 -5.226 2.689) 5.877 25.689 ( -1.427 1.097 1.233) 2.182 26.150 ( 1.682 3.596 -2.067) 4.476 27.321 ( 1.293 2.255 1.683) 3.096 27.740 ( -13.828 -5.805 -6.534) 16.358 28.447 ( 21.650 -6.006 2.286) 22.584 29.225 ( -11.509 4.120 -21.550) 24.775 ======================= Grid point 75 (35/128) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -31.835 -0.000 21.967) 38.678 2.343 ( 1.868 0.000 13.903) 14.028 2.552 ( -7.366 -0.000 4.304) 8.531 2.612 ( -3.429 -0.000 7.982) 8.688 3.181 ( -2.498 -0.000 10.333) 10.630 3.608 ( 1.005 0.000 1.650) 1.932 3.680 ( -0.404 -0.000 1.003) 1.081 3.845 ( -9.371 -0.000 9.916) 13.643 3.896 ( 0.223 0.000 0.565) 0.608 4.357 ( 10.421 0.000 26.126) 28.128 4.694 ( 6.287 0.000 -0.740) 6.330 4.845 ( -5.573 -0.000 12.094) 13.316 5.009 ( -1.286 -0.000 -8.144) 8.245 5.173 ( -4.647 -0.000 -7.134) 8.514 5.631 ( -4.881 -0.000 21.961) 22.497 5.797 ( 4.759 0.000 39.225) 39.513 5.851 ( 2.796 0.000 1.253) 3.064 6.354 ( 4.211 0.000 -0.091) 4.212 6.369 ( -9.081 -0.000 -1.480) 9.201 6.604 ( -0.088 -0.000 8.713) 8.713 7.119 ( 5.368 0.000 -6.277) 8.259 7.127 ( 1.458 0.000 -3.195) 3.512 7.508 ( 8.767 0.000 -23.858) 25.417 7.986 ( -7.590 -0.000 8.031) 11.051 8.233 ( -11.196 -0.000 -14.692) 18.472 8.642 ( -17.028 -0.000 13.427) 21.685 8.667 ( 0.446 0.000 -10.916) 10.925 9.327 ( -4.701 -0.000 13.215) 14.026 9.370 ( 2.787 0.000 -16.419) 16.654 9.997 ( 3.781 0.000 -8.690) 9.477 10.063 ( 15.947 0.000 -2.607) 16.158 10.425 ( 8.630 0.000 0.834) 8.670 10.454 ( -5.072 -0.000 -26.090) 26.578 10.665 ( 4.575 0.000 19.421) 19.953 10.959 ( -14.924 -0.000 17.179) 22.756 11.053 ( 1.085 0.000 5.896) 5.995 11.215 ( -7.980 -0.000 8.304) 11.517 11.342 ( 9.552 0.000 3.826) 10.290 12.192 ( 3.136 0.000 -1.497) 3.475 12.407 ( -4.222 -0.000 6.986) 8.163 12.759 ( -2.142 -0.000 -10.835) 11.045 13.011 ( 2.739 0.000 5.857) 6.465 15.475 ( 8.958 0.000 -16.688) 18.940 15.756 ( -4.915 -0.000 -8.246) 9.600 16.559 ( -18.713 -0.000 -18.496) 26.311 16.667 ( 13.162 0.000 -7.562) 15.179 17.331 ( -2.586 -0.000 -8.995) 9.360 17.684 ( 10.507 0.000 -3.974) 11.233 18.728 ( -0.562 -0.000 -9.171) 9.188 18.734 ( 6.776 0.000 0.096) 6.776 18.899 ( -0.884 -0.000 0.022) 0.884 18.964 ( 1.950 0.000 8.158) 8.388 19.713 ( 2.522 0.000 3.495) 4.310 19.956 ( -1.716 -0.000 8.432) 8.605 20.180 ( -9.980 -0.000 16.787) 19.530 20.450 ( -6.169 -0.000 -8.882) 10.814 20.932 ( 1.112 0.000 6.106) 6.207 21.032 ( 0.532 0.000 11.321) 11.334 21.826 ( -2.269 -0.000 3.478) 4.153 22.332 ( -2.470 -0.000 -4.781) 5.381 22.482 ( 2.310 0.000 -0.940) 2.494 24.150 ( 3.828 0.000 -11.565) 12.182 24.425 ( -2.789 -0.000 8.988) 9.410 24.622 ( -5.562 -0.000 5.249) 7.648 25.261 ( -0.482 -0.000 5.096) 5.119 25.510 ( -3.397 -0.000 0.955) 3.528 25.832 ( 1.789 0.000 -1.981) 2.669 26.378 ( 4.961 0.000 -2.408) 5.515 27.164 ( -0.138 -0.000 1.124) 1.133 27.283 ( 0.349 0.000 2.923) 2.944 27.509 ( 0.327 0.000 -0.473) 0.575 29.194 ( 3.469 0.000 -6.690) 7.536 ======================= Grid point 76 (36/128) ======================= q-point: (-0.43 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -10.567 1.003 25.352) 27.484 2.251 ( -18.580 -5.652 0.157) 19.421 2.534 ( -16.167 -5.837 -2.102) 17.316 2.715 ( 7.899 -9.278 10.969) 16.395 3.283 ( 1.318 -3.068 10.270) 10.799 3.518 ( 1.274 13.805 11.456) 17.985 3.715 ( -3.737 -3.579 0.561) 5.205 3.793 ( 1.626 -2.918 4.329) 5.468 4.062 ( 2.318 -12.110 7.929) 14.659 4.519 ( 7.161 3.670 24.356) 25.651 4.683 ( -16.696 -5.995 0.466) 17.746 4.849 ( 1.438 -6.040 3.966) 7.367 4.965 ( -2.711 -0.173 -4.890) 5.594 5.138 ( -5.268 -2.807 -5.112) 7.859 5.609 ( -11.730 -0.248 24.813) 27.447 5.773 ( -6.150 6.005 6.966) 11.064 6.002 ( -2.885 -7.577 10.577) 13.327 6.202 ( 1.691 10.064 6.409) 12.050 6.511 ( 10.433 1.902 4.150) 11.388 6.645 ( 2.609 -1.413 12.003) 12.364 6.936 ( 4.061 21.198 -0.034) 21.583 7.148 ( -5.025 1.160 -0.486) 5.180 7.463 ( 9.584 10.767 -16.543) 21.942 8.005 ( 6.034 -6.622 -1.193) 9.038 8.121 ( -3.841 -4.375 -12.660) 13.934 8.580 ( -6.337 -1.587 8.964) 11.092 8.652 ( -5.167 -2.106 -6.356) 8.457 9.169 ( -2.554 10.437 2.400) 11.009 9.434 ( -4.554 -10.943 -9.150) 14.974 10.064 ( 4.267 -4.530 -6.193) 8.779 10.214 ( 1.935 0.896 -3.940) 4.480 10.258 ( 9.951 4.705 -9.407) 14.479 10.520 ( -2.735 1.989 -8.407) 9.062 10.726 ( 2.510 1.086 4.709) 5.446 10.757 ( -1.374 7.794 17.679) 19.369 11.197 ( -8.295 -3.730 6.671) 11.280 11.239 ( 0.040 -9.730 11.784) 15.282 11.514 ( 14.354 -1.910 7.340) 16.234 12.164 ( -2.422 3.216 -0.980) 4.144 12.293 ( -6.425 7.981 4.224) 11.082 12.791 ( 0.904 -7.781 -11.275) 13.729 13.125 ( 2.057 -7.711 9.037) 12.056 15.464 ( 1.908 4.469 -9.686) 10.836 15.712 ( 1.604 -5.885 -19.518) 20.449 16.325 ( -15.977 -1.721 -20.876) 26.345 16.801 ( 8.378 -4.338 -10.857) 14.383 17.241 ( 7.578 9.572 -6.531) 13.846 17.847 ( 8.796 -6.128 0.050) 10.720 18.624 ( -1.775 7.314 -4.457) 8.747 18.780 ( 0.800 2.502 2.616) 3.707 18.852 ( 0.886 1.148 -1.112) 1.827 19.046 ( 2.389 -1.710 4.462) 5.342 19.646 ( -3.435 7.806 2.707) 8.947 19.969 ( -0.952 0.432 9.892) 9.947 20.110 ( -8.289 1.692 13.305) 15.767 20.396 ( -4.943 -4.155 -8.543) 10.709 20.940 ( -4.944 -1.510 5.202) 7.333 21.114 ( 4.944 -0.773 11.560) 12.597 21.830 ( -1.888 -2.125 2.828) 4.010 22.348 ( 4.766 -1.312 -2.315) 5.459 22.482 ( 2.156 1.959 -0.478) 2.952 24.127 ( 2.531 2.482 -12.757) 13.240 24.422 ( -2.547 0.351 9.026) 9.385 24.605 ( -4.239 -2.788 2.788) 5.789 25.234 ( 1.545 5.948 4.609) 7.682 25.289 ( -7.568 16.263 3.451) 18.267 25.833 ( -0.636 0.776 -2.594) 2.781 26.389 ( 5.795 7.629 1.153) 9.650 27.247 ( -0.260 -7.736 0.006) 7.741 27.435 ( 0.627 -12.548 1.970) 12.717 27.567 ( 4.881 -8.778 1.628) 10.175 29.204 ( -0.900 -2.468 -8.768) 9.153 ======================= Grid point 77 (37/128) ======================= q-point: (-0.29 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.954 1.179 24.268) 26.652 2.268 ( -8.529 -16.765 -2.045) 18.921 2.499 ( -16.208 -14.156 0.543) 21.526 2.987 ( 5.554 -10.036 6.307) 13.090 3.160 ( -6.911 13.060 7.266) 16.465 3.429 ( -9.339 0.534 -2.343) 9.643 3.704 ( 2.192 0.772 7.791) 8.130 3.944 ( 7.968 -4.999 7.209) 11.851 4.304 ( 1.740 -6.795 10.746) 12.832 4.513 ( 2.578 2.794 6.192) 7.266 4.772 ( -16.883 -19.101 12.525) 28.403 4.856 ( -8.352 -0.087 1.199) 8.438 5.030 ( 2.207 -4.193 -6.222) 7.821 5.085 ( -7.381 -3.891 2.887) 8.829 5.563 ( -12.712 5.436 23.069) 26.895 5.619 ( -4.086 -0.434 6.131) 7.381 5.968 ( -7.347 9.460 1.415) 12.061 6.176 ( -2.648 -6.952 7.226) 10.371 6.356 ( 3.151 32.390 0.090) 32.543 6.626 ( -1.349 -2.425 10.551) 10.910 6.883 ( 12.750 8.882 22.943) 27.710 6.933 ( -9.701 12.572 -0.200) 15.881 7.474 ( 14.299 -4.346 -6.791) 16.416 8.163 ( -4.680 -6.777 -17.787) 19.601 8.245 ( 15.441 -3.836 0.037) 15.911 8.531 ( 2.629 1.857 -10.086) 10.588 8.638 ( -4.836 -5.568 11.158) 13.375 9.012 ( -1.123 7.839 2.580) 8.329 9.590 ( -0.342 -14.645 -4.411) 15.298 9.927 ( -6.862 15.806 1.635) 17.309 10.296 ( 1.192 -7.508 -3.902) 8.545 10.348 ( -3.246 -1.844 -13.272) 13.787 10.391 ( 10.543 -0.278 -1.776) 10.695 10.684 ( 1.413 7.765 1.976) 8.136 10.819 ( 5.239 -3.030 0.430) 6.068 11.176 ( -6.077 -1.403 4.627) 7.766 11.376 ( -3.366 -4.682 9.503) 11.116 11.721 ( 13.431 -1.956 3.199) 13.945 12.041 ( -5.404 7.040 0.449) 8.886 12.120 ( -1.936 6.778 8.013) 10.673 12.872 ( -0.431 -4.495 -12.945) 13.710 13.326 ( -1.407 -11.747 10.836) 16.044 15.411 ( 1.061 -2.037 -5.014) 5.515 15.834 ( 8.485 -9.615 -24.499) 27.652 16.131 ( -12.515 -2.675 -18.632) 22.604 16.768 ( -2.438 9.678 -15.699) 18.603 17.266 ( 17.421 1.339 -4.094) 17.946 18.019 ( 8.751 -1.515 1.568) 9.019 18.485 ( -4.072 2.606 -0.379) 4.849 18.710 ( -0.975 7.824 8.888) 11.882 18.856 ( -0.631 -1.766 -6.344) 6.615 19.075 ( 2.976 3.664 2.054) 5.148 19.495 ( -5.330 3.722 4.829) 8.099 19.960 ( -2.420 2.496 8.428) 9.117 20.072 ( -4.954 -1.040 12.749) 13.717 20.390 ( -4.864 -4.258 -5.268) 8.339 20.919 ( -4.942 -1.029 4.309) 6.637 21.197 ( 1.542 -0.355 8.142) 8.294 21.869 ( -1.065 -3.736 1.826) 4.293 22.350 ( -1.183 4.479 -0.524) 4.662 22.585 ( 16.151 -4.381 -0.873) 16.757 24.022 ( -0.196 7.615 -17.772) 19.336 24.420 ( -2.398 0.308 9.319) 9.627 24.605 ( -3.569 0.399 1.208) 3.789 24.930 ( -10.548 13.496 12.678) 21.310 25.202 ( 2.326 3.940 5.443) 7.110 25.775 ( -2.304 3.070 -2.030) 4.342 26.294 ( 0.760 7.192 -0.047) 7.232 27.339 ( 0.575 -3.514 -0.082) 3.562 27.517 ( -5.156 -5.298 -1.320) 7.509 28.021 ( 19.860 -21.781 4.284) 29.786 29.183 ( -6.144 -3.281 -11.795) 13.698 ======================= Grid point 78 (38/128) ======================= q-point: (-0.14 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 19.407 3.013 19.964) 28.005 2.510 ( 3.014 -12.651 7.044) 14.790 2.658 ( -11.193 -21.656 3.295) 24.599 2.874 ( -10.576 10.658 -0.399) 15.020 3.060 ( -6.915 1.340 0.272) 7.049 3.410 ( -3.450 -9.362 6.792) 12.070 3.769 ( 0.548 -3.883 -2.150) 4.472 4.089 ( 9.514 3.848 8.286) 13.190 4.350 ( 2.714 4.608 7.384) 9.118 4.515 ( -2.160 4.978 6.349) 8.352 4.770 ( -6.528 1.275 5.176) 8.428 4.856 ( -10.398 7.526 -4.314) 13.542 4.958 ( -10.215 -23.364 4.786) 25.944 5.282 ( 1.397 -11.305 3.423) 11.894 5.364 ( -12.637 6.713 13.326) 19.554 5.577 ( -8.035 15.708 3.399) 17.968 5.737 ( -3.078 3.483 22.908) 23.375 5.951 ( 1.739 13.767 -0.891) 13.905 6.343 ( 2.359 -8.102 7.617) 11.368 6.622 ( -5.592 10.930 -1.482) 12.366 6.778 ( -5.915 -9.457 15.726) 19.280 6.884 ( 0.514 4.877 22.359) 22.891 7.799 ( 22.932 -8.233 -0.385) 24.368 8.004 ( -10.644 3.870 -23.758) 26.319 8.367 ( 1.601 -0.040 9.003) 9.145 8.619 ( 10.884 -2.670 -5.653) 12.552 8.822 ( 4.857 -11.366 7.587) 14.503 8.921 ( 1.243 3.050 -2.130) 3.922 9.520 ( -8.929 19.832 2.054) 21.846 9.836 ( 2.886 -8.909 -0.286) 9.369 10.191 ( -3.743 1.524 -9.801) 10.602 10.405 ( 1.638 7.774 -0.644) 7.970 10.559 ( -2.782 1.751 -8.205) 8.839 10.616 ( 5.950 -16.797 -10.568) 20.718 10.920 ( 5.510 -2.142 -0.033) 5.912 11.135 ( -2.136 2.749 1.173) 3.674 11.365 ( -9.133 -0.104 9.206) 12.968 11.780 ( -2.333 4.414 -2.759) 5.704 12.011 ( 6.865 -4.669 1.894) 8.516 12.098 ( 6.231 4.143 13.669) 15.583 12.810 ( -3.549 2.829 -12.122) 12.944 13.478 ( -5.338 -6.557 7.340) 11.197 15.538 ( 7.272 -8.477 -4.769) 12.144 15.914 ( 3.070 0.077 -23.770) 23.967 16.117 ( -5.227 -11.564 -7.938) 14.969 16.463 ( -0.245 12.172 -15.558) 19.756 17.437 ( 14.765 -0.397 -8.724) 17.154 18.085 ( 8.029 3.314 0.589) 8.706 18.446 ( -10.205 -3.969 -6.041) 12.505 18.598 ( 0.121 8.033 15.685) 17.623 18.848 ( 0.486 -0.372 -7.766) 7.790 19.019 ( 2.968 6.554 1.428) 7.335 19.485 ( -3.303 -3.811 8.873) 10.206 19.922 ( -1.304 1.552 6.462) 6.772 20.092 ( -5.605 -2.952 13.726) 15.117 20.393 ( -4.829 -4.097 0.222) 6.337 20.899 ( -1.950 0.180 3.198) 3.750 21.205 ( -2.271 1.176 4.410) 5.098 21.931 ( -0.079 -4.055 0.693) 4.115 22.242 ( -2.655 5.230 1.308) 6.010 22.905 ( 23.609 -8.133 -5.618) 25.595 23.725 ( -8.589 14.811 -18.374) 25.115 24.417 ( -2.505 0.631 10.413) 10.729 24.508 ( -6.385 2.914 10.743) 12.832 24.823 ( -4.831 -2.135 10.620) 11.860 25.197 ( 1.781 2.145 4.862) 5.605 25.698 ( -2.002 2.063 -0.619) 2.941 26.210 ( 0.071 3.542 -1.515) 3.854 27.379 ( 2.136 0.209 0.909) 2.331 27.519 ( -6.135 -3.691 -1.934) 7.416 28.562 ( 23.872 -12.559 1.972) 27.046 29.065 ( -12.708 0.739 -15.560) 20.103 ======================= Grid point 83 (39/128) ======================= q-point: (-0.43 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 11.020 0.000 23.327) 25.799 1.938 ( -27.326 -0.000 1.769) 27.383 2.273 ( -21.437 -0.000 4.823) 21.973 2.773 ( 7.939 0.000 10.345) 13.040 3.278 ( 0.397 0.000 -2.747) 2.775 3.567 ( -7.474 -0.000 -4.358) 8.652 3.653 ( -5.885 -0.000 1.573) 6.091 3.942 ( 9.271 0.000 23.913) 25.647 4.033 ( 9.000 0.000 5.974) 10.802 4.303 ( -31.861 -0.000 -0.666) 31.868 4.687 ( -0.981 -0.000 31.441) 31.457 4.814 ( -2.266 -0.000 1.202) 2.565 4.961 ( 7.249 0.000 -4.636) 8.604 5.073 ( -2.711 -0.000 -2.486) 3.678 5.526 ( -16.672 -0.000 29.529) 33.910 5.857 ( -5.635 -0.000 11.262) 12.593 5.862 ( -2.891 -0.000 1.351) 3.191 6.272 ( -8.605 -0.000 -4.709) 9.809 6.602 ( -2.371 -0.000 10.524) 10.788 6.783 ( 18.555 0.000 15.887) 24.427 7.142 ( 2.515 0.000 2.834) 3.789 7.147 ( 0.872 0.000 -7.645) 7.694 7.579 ( -0.856 -0.000 -8.693) 8.735 8.010 ( 0.983 0.000 -18.335) 18.361 8.046 ( 19.390 0.000 -12.109) 22.861 8.600 ( 1.665 0.000 -13.545) 13.647 8.604 ( 1.716 0.000 24.830) 24.889 9.176 ( -3.486 -0.000 -22.356) 22.627 9.253 ( -8.121 -0.000 5.754) 9.953 10.017 ( 1.063 0.000 -5.575) 5.676 10.142 ( -9.994 -0.000 -15.044) 18.061 10.324 ( 1.436 0.000 5.893) 6.066 10.632 ( 13.812 0.000 1.831) 13.933 10.754 ( -0.244 -0.000 -2.470) 2.482 10.917 ( 0.487 0.000 20.583) 20.589 11.111 ( -6.851 -0.000 8.382) 10.826 11.176 ( 1.538 0.000 13.400) 13.488 11.713 ( 17.449 0.000 9.688) 19.958 12.135 ( -6.154 -0.000 0.475) 6.172 12.291 ( -7.439 -0.000 1.987) 7.700 12.715 ( 3.742 0.000 -12.271) 12.829 13.098 ( -0.731 -0.000 8.951) 8.981 15.535 ( -5.808 -0.000 -17.085) 18.046 15.550 ( 5.863 0.000 -12.738) 14.023 16.059 ( -11.497 -0.000 -27.924) 30.198 16.822 ( 6.786 0.000 -13.147) 14.795 17.424 ( 12.736 0.000 -4.792) 13.607 17.879 ( 7.361 0.000 1.948) 7.615 18.686 ( 2.108 0.000 -5.668) 6.048 18.715 ( -7.178 -0.000 -3.938) 8.187 18.911 ( 1.487 0.000 1.293) 1.971 19.081 ( 3.617 0.000 6.429) 7.377 19.670 ( -6.859 -0.000 3.316) 7.619 20.005 ( -0.219 -0.000 12.499) 12.501 20.077 ( -8.065 -0.000 12.340) 14.741 20.268 ( -4.869 -0.000 -7.089) 8.600 20.885 ( -5.880 -0.000 4.555) 7.438 21.208 ( 5.290 0.000 11.553) 12.707 21.804 ( -1.148 -0.000 2.284) 2.557 22.430 ( 12.097 0.000 -1.423) 12.181 22.498 ( -0.845 -0.000 0.045) 0.846 24.127 ( 1.583 0.000 -14.301) 14.388 24.426 ( -2.849 -0.000 9.257) 9.686 24.545 ( -3.103 -0.000 1.811) 3.593 25.291 ( -0.122 -0.000 5.867) 5.868 25.362 ( -7.311 -0.000 -2.774) 7.820 25.804 ( -2.775 -0.000 -2.886) 4.003 26.635 ( 15.406 0.000 6.972) 16.911 27.171 ( 0.004 0.000 1.333) 1.333 27.305 ( -0.559 -0.000 4.199) 4.236 27.541 ( 2.548 0.000 0.915) 2.708 29.122 ( -5.046 -0.000 -9.847) 11.065 ======================= Grid point 84 (40/128) ======================= q-point: (-0.29 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 2.247 -5.134 16.193) 17.135 1.811 ( -8.754 -15.703 3.524) 18.320 2.151 ( -13.588 -6.967 11.378) 19.043 2.936 ( 5.705 -7.142 6.725) 11.348 3.204 ( -8.492 5.362 -12.695) 16.188 3.377 ( -10.714 6.172 1.036) 12.408 3.608 ( -14.300 -7.280 -0.914) 16.072 4.011 ( -18.643 -15.776 0.953) 24.441 4.114 ( 13.970 2.379 17.054) 22.173 4.364 ( 7.299 -8.857 14.264) 18.308 4.706 ( -5.046 3.261 17.424) 18.431 4.799 ( -5.002 -1.501 9.148) 10.534 5.032 ( 0.647 1.557 -4.599) 4.898 5.041 ( 4.194 1.004 3.817) 5.759 5.506 ( -13.845 -6.239 35.522) 38.631 5.635 ( -8.555 10.953 3.887) 14.431 6.007 ( -3.044 -10.962 4.410) 12.201 6.067 ( -6.781 10.519 -2.447) 12.752 6.592 ( -3.720 -0.075 12.398) 12.945 6.849 ( 2.808 18.881 -7.498) 20.509 6.988 ( -5.299 9.176 -5.583) 11.977 7.218 ( 10.267 5.463 23.530) 26.247 7.504 ( 1.892 -2.102 -9.049) 9.480 8.008 ( 3.659 -2.548 -17.354) 17.918 8.298 ( 15.625 -7.323 -13.588) 21.964 8.566 ( 5.521 1.280 -14.789) 15.837 8.716 ( 9.402 3.489 22.953) 25.048 9.078 ( -6.603 4.717 -3.329) 8.771 9.299 ( 0.760 -16.835 -10.292) 19.746 9.951 ( -12.242 3.760 -1.969) 12.957 10.080 ( -0.422 -9.446 -9.067) 13.100 10.300 ( -8.401 3.251 5.212) 10.408 10.647 ( 6.566 9.351 -4.920) 12.440 10.817 ( 12.692 2.045 -0.974) 12.893 10.909 ( 2.153 5.559 18.811) 19.733 11.087 ( -5.851 -2.125 6.942) 9.324 11.308 ( -0.342 -5.041 8.359) 9.768 11.877 ( 10.120 2.486 -1.863) 10.586 12.065 ( -4.068 3.603 7.379) 9.164 12.216 ( -0.013 1.561 7.362) 7.525 12.763 ( 2.128 -5.094 -13.286) 14.388 13.154 ( -5.713 -7.548 9.094) 13.127 15.390 ( 0.719 1.415 -10.797) 10.913 15.668 ( 0.554 -11.247 -13.649) 17.695 15.905 ( -1.887 -1.768 -32.251) 32.354 16.816 ( 2.328 2.955 -17.233) 17.639 17.487 ( 12.860 5.563 -3.404) 14.420 18.031 ( 5.387 -7.663 3.111) 9.870 18.531 ( -7.107 8.256 -4.669) 11.852 18.698 ( -1.124 0.267 -4.258) 4.412 18.916 ( 2.805 2.378 3.161) 4.849 19.142 ( 3.244 -0.513 2.871) 4.362 19.541 ( -6.667 6.804 6.100) 11.312 20.005 ( -4.122 2.585 11.588) 12.568 20.052 ( -2.774 -0.114 11.605) 11.933 20.250 ( -4.125 -4.609 -1.236) 6.307 20.848 ( -5.500 -1.887 3.266) 6.669 21.278 ( 3.647 2.108 9.359) 10.263 21.820 ( -0.161 -2.061 1.610) 2.621 22.420 ( -1.246 5.260 0.104) 5.406 22.650 ( 14.722 -6.988 -2.235) 16.449 24.047 ( -1.553 4.491 -19.626) 20.193 24.420 ( -3.302 0.026 8.852) 9.448 24.553 ( -1.312 -2.769 0.772) 3.160 25.107 ( -10.302 17.911 7.517) 21.988 25.305 ( 2.269 2.492 5.241) 6.231 25.760 ( -3.951 0.107 -2.958) 4.937 26.514 ( 1.840 20.996 4.959) 21.652 27.255 ( 0.109 -4.511 0.915) 4.604 27.492 ( 5.277 -3.263 1.985) 6.515 27.803 ( 14.625 -31.338 4.526) 34.877 29.024 ( -9.154 -1.472 -11.396) 14.692 ======================= Grid point 85 (41/128) ======================= q-point: (-0.14 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 1.697 -12.086 19.453) 22.965 2.080 ( -12.819 -28.427 3.598) 31.390 2.243 ( -0.348 -6.380 2.104) 6.727 2.911 ( -8.882 4.168 -3.466) 10.406 3.129 ( 4.217 -0.338 -1.216) 4.402 3.253 ( -3.414 -2.756 8.454) 9.525 3.610 ( -11.872 -11.695 -2.965) 16.926 4.115 ( -14.911 -14.724 2.154) 21.066 4.292 ( 6.900 -1.782 17.456) 18.855 4.566 ( 3.796 -0.341 3.367) 5.086 4.661 ( -3.022 1.101 16.488) 16.799 4.759 ( -4.908 0.047 4.176) 6.445 5.016 ( 7.920 7.913 5.772) 12.596 5.095 ( 0.069 -8.594 -2.233) 8.879 5.385 ( -10.695 7.311 11.198) 17.124 5.597 ( -10.634 -3.518 24.395) 26.844 5.855 ( -1.030 8.310 6.373) 10.523 6.173 ( -2.294 -11.002 5.348) 12.446 6.382 ( -0.692 29.554 -1.249) 29.589 6.639 ( -6.329 -5.347 15.256) 17.360 6.753 ( -3.287 12.176 -9.144) 15.578 7.126 ( -0.693 13.880 13.461) 19.348 7.763 ( 5.254 -14.264 -2.396) 15.389 7.960 ( 5.466 2.118 -13.857) 15.046 8.465 ( 6.540 1.629 -4.567) 8.142 8.596 ( 4.479 -2.403 -1.919) 5.433 8.897 ( 13.639 -0.830 10.903) 17.481 8.923 ( -4.956 0.565 -4.916) 7.003 9.588 ( -1.388 -10.631 -6.225) 12.397 9.720 ( -8.005 5.462 0.390) 9.698 10.113 ( -7.272 2.217 -5.117) 9.164 10.235 ( -3.958 -12.508 -4.479) 13.863 10.561 ( 1.986 3.780 -8.173) 9.221 10.792 ( 10.855 13.485 -2.163) 17.446 10.994 ( 7.878 1.403 6.688) 10.429 11.105 ( -5.588 -5.317 11.070) 13.492 11.303 ( -5.762 2.876 3.655) 7.405 11.842 ( -0.037 5.947 -6.538) 8.838 12.004 ( -1.042 0.643 4.745) 4.901 12.314 ( 11.012 2.760 10.957) 15.778 12.775 ( 0.475 -0.858 -9.187) 9.240 13.266 ( -8.904 -12.296 6.468) 16.502 15.479 ( 9.363 -7.302 -7.572) 14.083 15.774 ( -7.585 -10.741 -13.990) 19.199 15.915 ( 12.661 -6.541 -22.334) 26.493 16.629 ( -0.647 13.400 -18.886) 23.166 17.548 ( 7.689 0.521 -5.494) 9.464 18.177 ( -8.249 -7.763 -1.541) 11.432 18.299 ( 1.410 10.769 -1.683) 10.990 18.663 ( -0.411 1.621 -2.819) 3.277 18.907 ( 1.677 3.373 2.797) 4.691 19.181 ( 4.920 3.843 5.210) 8.131 19.430 ( -3.630 0.354 7.692) 8.512 19.964 ( -2.002 2.107 9.870) 10.289 20.047 ( -4.518 -0.047 9.313) 10.352 20.291 ( -2.723 -3.845 5.850) 7.512 20.856 ( -2.360 -3.496 2.681) 4.997 21.276 ( 1.724 4.757 5.894) 7.768 21.874 ( 0.886 -3.742 0.900) 3.949 22.302 ( -3.657 5.969 0.937) 7.062 22.955 ( 16.976 -10.270 -7.549) 21.228 23.758 ( -13.483 13.277 -23.309) 30.023 24.415 ( -3.555 -0.521 8.593) 9.314 24.552 ( -2.854 3.938 6.303) 7.961 24.797 ( -8.237 5.509 16.206) 18.995 25.298 ( 2.306 4.599 5.759) 7.722 25.697 ( -2.847 1.311 -1.632) 3.533 26.272 ( -3.413 7.998 0.716) 8.725 27.313 ( -2.268 -4.112 0.336) 4.708 27.559 ( 8.027 2.478 2.071) 8.652 28.555 ( 26.847 -25.313 1.018) 36.913 28.880 ( -13.053 -0.377 -13.261) 18.611 ======================= Grid point 91 (42/128) ======================= q-point: (-0.29 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -29.539 -0.000 9.333) 30.978 1.689 ( -26.600 -0.000 22.811) 35.042 2.259 ( 20.019 0.000 6.348) 21.001 2.940 ( 2.383 0.000 6.118) 6.566 2.989 ( -38.613 -0.000 1.740) 38.652 3.300 ( -3.505 -0.000 -5.866) 6.834 3.363 ( -7.094 -0.000 -3.817) 8.056 3.825 ( 1.903 0.000 -2.216) 2.921 4.300 ( 10.642 0.000 6.074) 12.253 4.501 ( 12.235 0.000 28.053) 30.605 4.732 ( -1.581 -0.000 -2.002) 2.551 4.736 ( -10.939 -0.000 23.586) 26.000 5.019 ( -2.298 -0.000 -3.904) 4.530 5.176 ( 10.093 0.000 4.777) 11.166 5.420 ( -13.253 -0.000 50.532) 52.242 5.708 ( -10.968 -0.000 -1.424) 11.060 5.804 ( -5.105 -0.000 4.114) 6.557 6.090 ( -3.391 -0.000 -4.727) 5.818 6.576 ( -5.653 -0.000 14.021) 15.118 6.963 ( 1.801 0.000 -9.249) 9.423 7.053 ( -3.231 -0.000 -10.196) 10.696 7.417 ( -7.246 -0.000 -8.376) 11.075 7.424 ( 7.975 0.000 23.126) 24.463 8.003 ( 7.936 0.000 -16.766) 18.550 8.364 ( 13.716 0.000 -12.948) 18.862 8.577 ( 6.072 0.000 -21.717) 22.550 8.951 ( 11.558 0.000 18.410) 21.737 9.025 ( -14.141 -0.000 2.232) 14.316 9.117 ( 9.745 0.000 -15.872) 18.625 9.828 ( -12.084 -0.000 -2.565) 12.353 9.972 ( -1.009 -0.000 -4.804) 4.909 10.290 ( -6.246 -0.000 9.356) 11.250 10.691 ( -1.212 -0.000 -9.308) 9.387 10.935 ( -7.525 -0.000 21.998) 23.249 11.051 ( 12.023 0.000 4.500) 12.837 11.179 ( 9.171 0.000 6.246) 11.096 11.280 ( 2.423 0.000 8.105) 8.460 11.907 ( -1.814 -0.000 -8.671) 8.859 12.198 ( -0.697 -0.000 4.484) 4.537 12.216 ( 8.437 0.000 19.905) 21.620 12.684 ( 0.296 0.000 -13.454) 13.457 13.039 ( -9.518 -0.000 4.664) 10.599 15.399 ( 6.617 0.000 -20.335) 21.384 15.458 ( -8.925 -0.000 -6.706) 11.163 15.852 ( 11.469 0.000 -31.399) 33.428 16.805 ( 2.575 0.000 -20.907) 21.065 17.602 ( -1.803 -0.000 -4.401) 4.756 18.002 ( 2.526 0.000 2.186) 3.341 18.471 ( -5.314 -0.000 -9.030) 10.478 18.764 ( 5.968 0.000 0.369) 5.979 18.964 ( 2.412 0.000 2.006) 3.137 19.165 ( 1.624 0.000 -1.069) 1.944 19.556 ( -5.917 -0.000 9.456) 11.155 19.999 ( -5.178 -0.000 10.679) 11.868 20.110 ( 0.736 0.000 17.690) 17.705 20.169 ( -3.204 -0.000 4.670) 5.664 20.778 ( -4.950 -0.000 1.462) 5.161 21.368 ( 3.298 0.000 7.990) 8.643 21.813 ( 0.847 0.000 1.428) 1.660 22.438 ( -4.800 -0.000 0.816) 4.869 22.735 ( 15.329 0.000 -5.295) 16.218 23.983 ( -5.202 -0.000 -25.403) 25.930 24.408 ( -3.922 -0.000 8.358) 9.233 24.525 ( 0.602 0.000 0.676) 0.906 25.266 ( -0.571 -0.000 6.895) 6.919 25.332 ( 0.364 0.000 5.858) 5.870 25.689 ( -5.638 -0.000 -2.514) 6.173 27.065 ( 17.384 0.000 10.586) 20.354 27.179 ( -0.167 -0.000 1.295) 1.305 27.311 ( -1.711 -0.000 5.006) 5.290 27.648 ( 7.031 0.000 1.936) 7.293 28.861 ( -11.974 -0.000 -11.672) 16.722 ======================= Grid point 92 (43/128) ======================= q-point: (-0.14 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -17.543 -34.356 10.050) 39.863 1.563 ( -30.788 -15.795 18.280) 39.135 2.291 ( -21.175 -5.818 13.223) 25.633 2.845 ( 7.303 -2.710 14.843) 16.763 3.042 ( 0.749 -8.502 3.823) 9.352 3.278 ( -4.799 -2.479 -6.069) 8.125 3.294 ( -1.006 1.720 -0.000) 1.993 3.897 ( 1.511 -4.675 -4.313) 6.538 4.410 ( 4.775 2.234 8.989) 10.421 4.623 ( -5.687 2.586 8.366) 10.441 4.715 ( -0.722 0.081 21.960) 21.972 4.754 ( 6.154 -2.210 3.275) 7.313 5.001 ( -2.210 -3.725 2.887) 5.205 5.250 ( 10.607 6.099 7.495) 14.349 5.443 ( -8.917 9.567 5.127) 14.047 5.534 ( -6.625 -3.057 41.814) 42.446 5.893 ( -5.856 -9.013 3.447) 11.287 6.021 ( -1.618 0.451 -0.048) 1.681 6.562 ( -7.565 -0.915 13.804) 15.767 6.784 ( -2.354 22.301 -7.696) 23.709 6.869 ( -0.654 9.435 -10.958) 14.475 7.283 ( -5.057 4.920 -0.322) 7.063 7.612 ( 3.863 -8.093 7.425) 11.643 8.027 ( 5.973 2.469 -7.529) 9.923 8.477 ( 8.800 -4.268 -12.334) 15.741 8.638 ( 8.248 -4.510 -14.942) 17.653 8.817 ( -13.394 4.419 -1.887) 14.230 9.095 ( 8.672 2.428 11.796) 14.840 9.295 ( 0.092 -15.033 -11.374) 18.851 9.715 ( -5.848 1.637 0.404) 6.086 10.016 ( -0.845 -6.900 -4.018) 8.029 10.143 ( -8.752 9.070 2.478) 12.845 10.620 ( 3.157 4.081 -10.044) 11.292 10.933 ( -11.807 -6.038 21.942) 25.639 11.137 ( 8.514 13.182 0.076) 15.693 11.192 ( 12.556 4.928 9.874) 16.716 11.341 ( 0.543 2.485 4.143) 4.862 11.853 ( -3.490 0.153 -6.151) 7.074 12.095 ( 0.459 9.979 4.971) 11.159 12.453 ( 8.285 -3.555 7.112) 11.483 12.722 ( 4.197 -7.163 -4.532) 9.459 12.977 ( -13.631 -9.021 3.326) 16.680 15.465 ( -2.900 -14.061 -7.750) 16.315 15.482 ( 13.332 -3.565 -16.577) 21.570 15.925 ( 14.257 -2.508 -23.612) 27.696 16.717 ( 1.889 5.916 -23.539) 24.345 17.473 ( -18.266 -2.933 -7.823) 20.086 18.021 ( -2.826 0.229 -0.841) 2.958 18.448 ( 6.086 1.241 -2.567) 6.721 18.756 ( 6.202 7.920 -4.761) 11.129 18.969 ( -0.876 2.969 4.260) 5.266 19.214 ( 3.052 -5.197 -0.080) 6.027 19.483 ( -3.896 5.629 9.886) 12.025 19.987 ( -2.425 0.563 10.241) 10.539 20.093 ( -0.308 4.691 15.327) 16.032 20.252 ( -0.593 -3.521 16.660) 17.039 20.774 ( -1.716 -4.115 1.135) 4.601 21.391 ( 2.526 3.450 4.871) 6.482 21.845 ( 1.481 -1.927 1.178) 2.701 22.342 ( -5.339 4.444 0.808) 6.994 22.933 ( 11.930 -7.636 -10.736) 17.773 23.694 ( -18.426 10.962 -30.026) 36.895 24.395 ( -3.302 -0.273 7.598) 8.289 24.564 ( 1.474 -1.933 1.720) 2.978 25.010 ( -7.017 24.005 21.564) 33.023 25.405 ( 3.307 1.955 5.924) 7.061 25.654 ( -3.131 -2.388 -1.612) 4.255 26.472 ( -9.546 29.826 6.375) 31.959 27.257 ( -0.537 -1.618 1.709) 2.414 27.714 ( 13.395 0.850 2.441) 13.642 28.282 ( 28.621 -51.520 -2.057) 58.972 28.681 ( -14.563 -0.252 -12.089) 18.928 ======================= Grid point 99 (44/128) ======================= q-point: (-0.14 -0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -21.382 -0.000 28.417) 35.563 1.100 ( -37.653 -0.000 16.596) 41.148 1.845 ( -45.390 -0.000 45.694) 64.407 2.976 ( -1.382 -0.000 6.803) 6.942 3.142 ( 29.546 0.000 10.966) 31.515 3.249 ( -2.450 -0.000 -0.392) 2.482 3.337 ( 8.974 0.000 2.519) 9.321 3.867 ( 0.004 0.000 -7.083) 7.083 4.530 ( 6.556 0.000 1.315) 6.686 4.568 ( -12.694 -0.000 13.259) 18.356 4.728 ( 1.649 0.000 -1.082) 1.972 4.822 ( 0.793 0.000 -3.952) 4.031 5.024 ( 8.030 0.000 41.886) 42.649 5.417 ( -0.625 -0.000 -8.468) 8.491 5.500 ( 3.598 0.000 10.383) 10.989 5.574 ( -7.504 -0.000 27.353) 28.364 5.769 ( 1.496 0.000 34.478) 34.511 5.995 ( -3.332 -0.000 -4.876) 5.906 6.513 ( -8.574 -0.000 11.874) 14.646 6.906 ( -1.070 -0.000 -10.761) 10.814 6.925 ( -1.511 -0.000 -10.325) 10.435 7.249 ( -1.767 -0.000 -3.974) 4.349 7.630 ( 0.621 0.000 11.285) 11.302 8.099 ( 5.521 0.000 -5.947) 8.115 8.509 ( 0.396 0.000 -21.431) 21.435 8.510 ( 7.569 0.000 -12.104) 14.276 8.790 ( -5.852 -0.000 -3.669) 6.907 9.013 ( -6.056 -0.000 -12.792) 14.153 9.282 ( -0.304 -0.000 12.322) 12.326 9.706 ( 3.501 0.000 1.542) 3.826 9.950 ( 0.320 0.000 -1.879) 1.906 10.121 ( -12.248 -0.000 -6.794) 14.006 10.702 ( 11.175 0.000 -12.304) 16.621 10.801 ( -13.757 -0.000 18.252) 22.856 11.352 ( 7.973 0.000 -3.397) 8.666 11.364 ( 0.519 0.000 2.336) 2.393 11.542 ( 23.392 0.000 37.720) 44.384 11.772 ( -6.487 -0.000 -4.990) 8.184 12.306 ( 2.492 0.000 5.200) 5.766 12.400 ( -0.811 -0.000 -5.400) 5.460 12.638 ( 3.162 0.000 5.394) 6.253 12.755 ( -14.584 -0.000 -0.965) 14.616 15.249 ( -3.510 -0.000 -9.117) 9.769 15.601 ( 21.310 0.000 -8.343) 22.885 15.982 ( 12.864 0.000 -19.929) 23.720 16.724 ( 6.137 0.000 -26.410) 27.114 17.097 ( -34.568 -0.000 -9.887) 35.954 18.025 ( -0.909 -0.000 -0.637) 1.110 18.526 ( 9.876 0.000 -6.096) 11.606 18.890 ( 3.011 0.000 3.532) 4.641 19.035 ( 2.053 0.000 1.844) 2.760 19.124 ( -2.069 -0.000 -8.661) 8.904 19.514 ( -5.682 -0.000 7.000) 9.016 20.027 ( 1.514 0.000 8.620) 8.752 20.186 ( -1.637 -0.000 15.790) 15.875 20.399 ( 19.437 0.000 42.313) 46.564 20.724 ( -0.108 -0.000 0.567) 0.577 21.445 ( 0.244 0.000 2.749) 2.759 21.851 ( 1.483 0.000 1.205) 1.911 22.319 ( -5.739 -0.000 0.969) 5.820 22.920 ( 2.876 0.000 -19.530) 19.741 23.452 ( -25.854 -0.000 -32.118) 41.231 24.385 ( -2.448 -0.000 7.109) 7.519 24.576 ( 2.735 0.000 2.769) 3.892 25.375 ( -0.065 -0.000 4.560) 4.560 25.477 ( 13.248 0.000 16.352) 21.045 25.556 ( -4.536 -0.000 -0.818) 4.609 27.180 ( -0.362 -0.000 0.902) 0.972 27.297 ( -2.447 -0.000 4.897) 5.475 27.445 ( 8.788 0.000 -0.383) 8.796 27.899 ( 15.008 0.000 2.064) 15.149 28.486 ( -14.405 -0.000 -9.523) 17.268 ======================= Grid point 100 (45/128) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 6.107 0.000 35.171) 35.697 1.734 ( 1.109 0.000 38.892) 38.908 2.920 ( -4.774 -0.000 53.030) 53.244 3.104 ( -1.747 -0.000 -0.841) 1.938 3.413 ( 0.749 0.000 13.195) 13.216 3.625 ( 5.110 0.000 8.450) 9.875 3.693 ( -1.552 -0.000 1.759) 2.346 4.281 ( -8.888 -0.000 -10.049) 13.415 4.344 ( -7.182 -0.000 -8.143) 10.858 4.665 ( 4.389 0.000 27.443) 27.791 4.761 ( -0.866 -0.000 -2.849) 2.977 4.929 ( -9.221 -0.000 29.447) 30.857 4.949 ( -1.122 -0.000 -12.183) 12.235 5.313 ( -18.257 -0.000 -8.218) 20.021 5.750 ( -4.075 -0.000 -2.449) 4.755 6.059 ( 4.981 0.000 8.881) 10.183 6.062 ( 4.251 0.000 13.448) 14.103 6.269 ( -5.985 -0.000 12.536) 13.892 6.618 ( 2.359 0.000 -10.669) 10.927 6.658 ( -11.098 -0.000 15.428) 19.005 7.070 ( -2.297 -0.000 14.552) 14.733 7.562 ( 24.083 0.000 4.500) 24.500 7.867 ( 12.615 0.000 -20.081) 23.715 8.112 ( -8.850 -0.000 19.700) 21.597 8.148 ( 4.757 0.000 -22.174) 22.678 8.368 ( 7.082 0.000 15.988) 17.486 8.408 ( -14.964 -0.000 -8.330) 17.126 8.935 ( -5.731 -0.000 13.140) 14.336 9.389 ( -4.653 -0.000 4.657) 6.583 9.747 ( 3.501 0.000 -9.125) 9.774 9.794 ( 1.999 0.000 -4.158) 4.614 10.158 ( 14.257 0.000 -0.403) 14.262 10.521 ( 10.025 0.000 -26.182) 28.036 10.917 ( -21.206 -0.000 12.793) 24.766 11.100 ( -4.526 -0.000 -5.608) 7.207 11.302 ( 0.345 0.000 -0.353) 0.494 11.460 ( -7.611 -0.000 -7.102) 10.410 12.056 ( -3.147 -0.000 -7.048) 7.718 12.293 ( 2.550 0.000 8.738) 9.102 12.602 ( -19.956 -0.000 15.033) 24.985 12.848 ( 10.254 0.000 6.314) 12.042 12.903 ( 0.042 0.000 -0.471) 0.473 14.913 ( 7.123 0.000 -20.923) 22.102 15.667 ( 9.602 0.000 -23.948) 25.802 16.045 ( -8.273 -0.000 -4.915) 9.623 16.337 ( 26.200 0.000 -18.724) 32.203 16.944 ( 31.746 0.000 13.171) 34.370 17.726 ( -9.981 -0.000 -11.374) 15.132 18.637 ( 3.555 0.000 -14.472) 14.902 18.723 ( 6.685 0.000 6.067) 9.028 18.789 ( -17.077 -0.000 -13.796) 21.953 19.187 ( -6.694 -0.000 9.235) 11.406 19.416 ( -4.448 -0.000 6.665) 8.013 20.190 ( -4.014 -0.000 8.067) 9.011 20.471 ( 0.812 0.000 2.110) 2.261 20.973 ( 1.421 0.000 10.304) 10.401 21.304 ( -5.666 -0.000 -3.624) 6.726 21.542 ( -12.572 -0.000 4.742) 13.437 21.910 ( -0.067 -0.000 2.454) 2.455 22.305 ( 15.863 0.000 -5.414) 16.762 22.306 ( -0.600 -0.000 3.253) 3.308 23.093 ( 10.096 0.000 -6.294) 11.897 24.602 ( -1.358 -0.000 11.792) 11.870 24.849 ( 3.417 0.000 11.181) 11.691 25.385 ( -4.012 -0.000 2.085) 4.521 25.613 ( 1.269 0.000 5.064) 5.220 25.899 ( 8.265 0.000 -3.231) 8.874 26.764 ( -24.162 -0.000 -8.794) 25.712 27.198 ( -0.745 -0.000 1.678) 1.836 27.389 ( -4.882 -0.000 7.321) 8.800 27.881 ( -12.008 -0.000 -9.880) 15.550 28.330 ( 17.926 0.000 -3.557) 18.275 ======================= Grid point 101 (46/128) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 10.765 -4.525 30.843) 32.979 2.067 ( 2.971 -19.801 31.686) 37.482 3.060 ( -3.780 1.876 -1.780) 4.580 3.169 ( 2.984 -8.098 41.543) 42.430 3.399 ( 0.883 4.228 8.510) 9.543 3.659 ( -0.387 1.465 9.649) 9.767 3.709 ( -2.128 -1.068 3.009) 3.838 4.109 ( -9.744 2.347 -14.279) 17.445 4.242 ( -8.431 2.407 -3.091) 9.297 4.571 ( -12.238 3.761 1.513) 12.892 4.718 ( -4.635 -0.487 3.533) 5.848 4.932 ( 0.706 -2.147 -3.652) 4.295 5.051 ( -3.314 -7.113 37.347) 38.163 5.188 ( -5.618 -0.848 2.580) 6.239 5.697 ( -3.080 2.446 -1.075) 4.078 5.854 ( 1.921 14.921 -2.553) 15.259 6.157 ( -8.035 3.355 14.384) 16.814 6.314 ( -6.652 -1.983 25.064) 26.007 6.479 ( 4.538 12.497 -1.781) 13.414 6.724 ( -4.302 -13.597 11.428) 18.275 7.124 ( -1.528 -4.167 11.537) 12.361 7.731 ( 9.857 5.450 -2.426) 11.522 7.924 ( -10.951 4.685 17.116) 20.853 8.099 ( 1.805 3.195 -7.016) 7.917 8.212 ( -5.309 -6.265 -3.927) 9.102 8.335 ( 16.087 -18.477 -22.067) 32.972 8.578 ( 12.801 -3.277 13.146) 18.639 8.900 ( -4.372 0.990 4.273) 6.193 9.301 ( -4.307 6.389 5.028) 9.200 9.689 ( 4.361 13.785 -7.292) 16.193 9.801 ( 4.432 -4.316 -9.592) 11.414 10.334 ( 9.002 -2.775 3.092) 9.914 10.575 ( 6.902 -5.583 -26.641) 28.081 10.733 ( -18.680 -1.307 4.903) 19.357 11.018 ( -0.688 3.943 1.347) 4.223 11.259 ( -5.200 3.396 -3.987) 7.380 11.421 ( -4.020 -5.133 -1.355) 6.660 11.878 ( -3.306 14.553 0.919) 14.952 12.182 ( -4.097 8.159 4.312) 10.097 12.510 ( -8.579 -4.349 16.857) 19.408 12.815 ( 4.454 10.828 2.684) 12.012 13.099 ( -5.113 -17.169 -5.914) 18.865 15.010 ( 7.490 -10.405 -22.535) 25.927 15.675 ( 10.805 4.860 -21.724) 24.745 15.923 ( -7.015 0.831 -5.479) 8.939 16.535 ( 25.882 4.592 -14.240) 29.896 17.324 ( 16.277 4.105 3.217) 17.092 17.664 ( 2.742 -12.514 -5.085) 13.783 18.356 ( -12.330 10.442 -7.796) 17.940 18.704 ( -5.667 -2.828 -16.184) 17.380 18.851 ( 1.414 -2.495 5.068) 5.823 19.131 ( -5.915 1.122 8.254) 10.216 19.432 ( 1.594 -1.891 6.165) 6.643 20.151 ( -3.132 2.516 8.171) 9.106 20.530 ( 2.352 -2.472 1.037) 3.566 20.941 ( -3.462 4.415 1.628) 5.842 21.148 ( -11.298 11.861 12.413) 20.553 21.335 ( -13.250 0.744 6.039) 14.580 21.941 ( -0.975 -2.559 2.539) 3.735 22.294 ( 1.697 2.675 1.974) 3.732 22.488 ( 12.824 -3.860 -12.180) 18.103 23.224 ( 16.760 1.007 -7.968) 18.584 24.632 ( -1.164 -0.414 12.422) 12.483 24.917 ( 0.658 -0.203 12.296) 12.315 25.288 ( -3.264 7.888 4.453) 9.629 25.592 ( -0.100 8.000 7.335) 10.854 25.941 ( -8.654 2.668 -1.289) 9.147 26.062 ( -0.577 23.721 5.770) 24.419 27.323 ( -0.490 -1.647 3.591) 3.981 27.629 ( -10.435 -9.160 -8.954) 16.522 27.898 ( -10.816 -33.697 -12.882) 37.662 28.516 ( 17.848 -0.269 -4.924) 18.517 ======================= Grid point 102 (47/128) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 11.040 -3.334 24.625) 27.192 2.485 ( -1.698 -16.958 17.918) 24.729 2.937 ( -7.105 3.097 -1.452) 7.885 3.156 ( -2.210 11.837 11.040) 16.336 3.563 ( -10.547 -2.024 7.552) 13.129 3.664 ( -3.676 2.633 7.811) 9.026 3.674 ( 2.139 1.141 -0.736) 2.533 3.853 ( 0.123 -2.079 -6.424) 6.753 4.242 ( 2.620 -3.438 9.893) 10.796 4.484 ( -2.190 0.166 -0.237) 2.210 4.695 ( -6.684 -5.049 8.006) 11.588 5.046 ( 0.497 -9.323 0.699) 9.363 5.143 ( -3.739 1.913 8.135) 9.155 5.242 ( -7.989 -8.602 30.076) 32.287 5.582 ( 0.496 9.064 1.119) 9.146 5.679 ( -0.918 6.281 -2.829) 6.950 5.988 ( -2.528 9.769 3.575) 10.705 6.338 ( -8.132 -3.014 19.452) 21.298 6.503 ( 3.545 -4.118 24.415) 25.013 6.844 ( -7.050 3.991 23.912) 25.247 7.238 ( -3.699 -11.410 -4.108) 12.679 7.542 ( -13.598 10.289 2.998) 17.313 7.769 ( -13.627 2.449 10.183) 17.186 8.001 ( 10.155 13.395 15.694) 22.997 8.346 ( -1.606 -12.762 -12.787) 18.137 8.760 ( 8.115 -15.267 -18.367) 25.224 8.825 ( 10.427 -2.838 1.411) 10.898 8.840 ( 6.511 4.311 9.568) 12.350 9.214 ( 3.071 -1.493 0.138) 3.417 9.497 ( 4.256 10.600 -8.366) 14.159 9.893 ( 4.919 -3.763 -9.785) 11.581 10.375 ( -10.796 -1.157 10.418) 15.047 10.588 ( 0.235 1.900 -18.419) 18.518 10.648 ( 3.485 0.066 -9.468) 10.089 10.952 ( -5.270 2.148 -1.595) 5.910 11.145 ( -5.144 2.760 -1.484) 6.023 11.399 ( 3.791 5.716 0.371) 6.869 11.680 ( -5.614 2.567 3.532) 7.112 12.115 ( -4.063 -3.314 1.033) 5.344 12.559 ( -3.517 5.859 17.180) 18.490 12.677 ( 9.820 7.233 2.894) 12.535 13.254 ( -8.644 -14.916 -10.527) 20.200 15.220 ( 7.092 -14.228 -24.930) 29.568 15.580 ( 1.472 6.534 -14.367) 15.852 15.854 ( 4.142 4.183 -10.070) 11.665 16.634 ( 19.488 11.125 -9.369) 24.317 17.227 ( -4.423 2.630 -7.302) 8.934 18.073 ( 12.351 -0.050 -1.377) 12.427 18.102 ( -6.737 -11.788 -4.252) 14.227 18.616 ( -1.411 1.354 -12.630) 12.780 18.837 ( -4.349 3.481 7.345) 9.219 19.097 ( -2.096 0.731 7.961) 8.265 19.546 ( 2.370 -6.482 4.989) 8.516 20.108 ( -1.209 3.006 7.802) 8.448 20.509 ( -3.330 6.480 -2.886) 7.836 20.863 ( -13.421 10.004 19.746) 25.886 20.878 ( 1.072 -0.671 1.659) 2.086 21.270 ( -5.542 -0.091 6.745) 8.730 21.976 ( -0.805 -1.939 2.351) 3.152 22.269 ( 0.258 2.586 2.245) 3.434 22.618 ( 4.217 -6.414 -15.173) 17.004 23.339 ( 16.078 3.947 -10.051) 19.368 24.663 ( -2.129 -0.357 12.967) 13.145 24.901 ( -3.371 6.938 12.704) 14.862 25.161 ( -3.581 3.155 10.870) 11.872 25.393 ( -5.071 11.255 8.388) 14.925 25.760 ( -1.738 3.245 3.649) 5.184 26.058 ( 4.801 -0.924 -4.321) 6.524 27.366 ( 1.084 -2.350 3.891) 4.673 27.534 ( -7.585 0.489 -4.718) 8.946 28.235 ( -12.355 -26.722 -17.899) 34.454 28.688 ( 17.000 0.519 -6.263) 18.124 ======================= Grid point 103 (48/128) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -12.590 1.361 4.918) 13.584 2.546 ( 7.483 2.756 8.140) 11.395 2.887 ( 1.386 8.375 -3.484) 9.176 3.115 ( 0.207 -5.777 22.852) 23.572 3.312 ( -8.670 12.139 7.104) 16.523 3.466 ( -6.099 5.921 -4.027) 9.405 3.716 ( 1.107 -0.219 8.346) 8.422 4.091 ( 3.161 -11.102 -6.503) 13.249 4.351 ( -5.904 -3.567 10.203) 12.316 4.572 ( 9.898 -9.086 2.603) 13.686 4.769 ( -5.378 -7.080 2.481) 9.230 5.081 ( 6.172 4.713 10.970) 13.440 5.186 ( -11.576 -1.156 15.043) 19.017 5.300 ( -2.968 -5.013 6.305) 8.584 5.472 ( 0.459 6.095 4.427) 7.547 5.662 ( -0.704 -1.060 12.166) 12.232 5.855 ( -0.171 8.287 6.897) 10.782 6.387 ( -10.475 -6.163 13.749) 18.351 6.572 ( -8.093 6.399 5.375) 11.634 6.744 ( 0.077 1.005 28.016) 28.034 7.241 ( -16.175 8.024 11.356) 21.330 7.348 ( -3.940 -7.972 -0.860) 8.934 7.615 ( -11.071 7.819 31.451) 34.247 8.066 ( 13.038 -1.439 0.239) 13.119 8.447 ( -4.629 -8.122 -4.282) 10.282 8.693 ( -13.088 -0.138 -3.997) 13.685 8.859 ( 9.936 8.532 -4.475) 13.840 9.066 ( 11.867 -5.396 4.349) 13.743 9.360 ( 2.682 2.149 8.567) 9.230 9.521 ( 9.630 -12.029 -22.531) 27.296 9.920 ( 6.961 4.854 -12.599) 15.191 10.304 ( -13.548 -5.602 5.789) 15.762 10.464 ( -2.607 5.887 -9.657) 11.607 10.600 ( 5.061 7.219 -3.847) 9.619 10.922 ( -3.666 -8.119 -6.306) 10.914 11.027 ( 1.894 5.522 -0.445) 5.855 11.409 ( 2.749 -0.170 -4.597) 5.359 11.648 ( -5.497 -3.078 5.523) 8.378 12.109 ( -6.696 -0.459 -5.543) 8.705 12.421 ( 3.008 8.235 13.596) 16.177 12.840 ( 15.500 -0.893 11.464) 19.300 13.305 ( -11.278 -9.673 -11.730) 18.930 15.311 ( 5.129 4.638 -25.669) 26.584 15.562 ( -0.178 -12.651 -15.103) 19.702 15.770 ( 7.229 8.978 -13.555) 17.793 16.524 ( 11.368 20.070 -0.776) 23.079 17.235 ( 0.107 -8.651 -8.821) 12.356 17.942 ( -9.360 -1.909 -9.648) 13.577 18.293 ( 4.000 3.510 -2.099) 5.721 18.619 ( 3.977 1.629 -10.373) 11.228 18.796 ( -1.279 -4.911 9.020) 10.350 19.138 ( 0.173 -5.116 9.228) 10.553 19.665 ( -0.933 -2.825 5.842) 6.556 20.096 ( 3.608 1.626 6.235) 7.385 20.308 ( -7.499 7.341 0.430) 10.502 20.695 ( -8.714 3.968 20.097) 22.262 20.963 ( 5.401 -1.681 2.582) 6.218 21.239 ( -4.378 -0.901 5.285) 6.921 21.992 ( 0.608 0.810 1.507) 1.816 22.241 ( -2.523 0.220 3.213) 4.091 22.675 ( -3.408 -6.416 -16.506) 18.034 23.378 ( 12.328 6.442 -11.194) 17.855 24.675 ( -4.237 0.176 13.165) 13.831 24.774 ( -3.322 6.625 11.363) 13.566 25.149 ( -4.080 2.263 15.517) 16.203 25.267 ( -3.256 -0.192 3.608) 4.864 25.732 ( 1.072 2.203 3.325) 4.131 26.102 ( 2.260 -1.460 -4.670) 5.390 27.408 ( -2.516 0.711 0.494) 2.660 27.500 ( 3.991 -3.283 1.861) 5.493 28.357 ( -13.491 -14.515 -16.735) 25.938 28.825 ( 16.695 2.797 -8.275) 18.843 ======================= Grid point 104 (49/128) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -22.284 6.421 2.024) 23.278 2.670 ( 2.323 23.288 5.277) 23.991 2.762 ( 21.316 0.657 13.550) 25.267 3.027 ( -5.484 1.503 4.381) 7.178 3.331 ( -1.924 5.011 5.059) 7.376 3.445 ( 3.707 -10.041 15.757) 19.049 3.740 ( -2.274 0.692 13.878) 14.080 4.144 ( -10.375 0.198 -1.023) 10.427 4.352 ( -8.342 -7.286 0.636) 11.094 4.746 ( -3.430 -0.755 -14.072) 14.504 4.847 ( 6.438 -7.382 7.144) 12.123 5.052 ( -1.377 19.292 24.915) 31.541 5.133 ( -6.771 1.508 12.256) 14.083 5.295 ( 10.338 7.125 11.354) 16.928 5.430 ( -6.195 -4.535 5.096) 9.215 5.716 ( -2.407 -11.062 3.471) 11.841 5.847 ( 4.119 -0.543 5.657) 7.018 6.341 ( -5.843 -3.040 -3.616) 7.514 6.564 ( -9.264 -4.127 17.718) 20.415 6.738 ( -2.905 3.606 15.921) 16.581 7.012 ( -11.738 8.041 17.912) 22.875 7.395 ( -6.588 -3.619 2.937) 8.070 7.575 ( -2.413 -0.210 30.670) 30.765 8.223 ( 6.429 -2.075 -2.350) 7.152 8.503 ( 0.016 -0.812 0.772) 1.121 8.555 ( -9.582 -2.620 3.305) 10.469 8.782 ( 8.766 11.928 -6.675) 16.238 9.256 ( -6.565 -1.320 -2.113) 7.022 9.338 ( 1.846 -6.095 2.484) 6.835 9.560 ( -2.319 6.527 -10.544) 12.616 9.901 ( 13.127 3.632 -11.813) 18.029 10.207 ( -9.148 4.878 -4.648) 11.361 10.406 ( 1.536 -2.548 -3.059) 4.267 10.650 ( 6.339 -8.603 2.363) 10.944 11.014 ( -0.176 -7.655 -1.743) 7.853 11.100 ( 6.208 -7.928 -5.166) 11.317 11.422 ( -1.301 -4.510 -8.929) 10.088 11.642 ( -7.572 -0.977 12.144) 14.344 11.982 ( 0.152 5.883 -7.854) 9.814 12.450 ( -0.425 -1.520 12.842) 12.938 13.060 ( 17.265 1.376 10.834) 20.429 13.233 ( -13.296 -2.361 -8.814) 16.126 15.173 ( 4.428 6.811 -22.831) 24.234 15.590 ( 11.548 10.416 -19.267) 24.761 15.801 ( 2.118 -12.817 -20.416) 24.199 16.317 ( 11.485 21.152 3.481) 24.319 17.325 ( -9.858 -7.671 -7.185) 14.410 17.859 ( -5.284 -2.332 -7.576) 9.526 18.264 ( 4.783 1.466 -5.646) 7.544 18.528 ( 2.499 6.427 -6.376) 9.392 18.936 ( 1.214 -6.802 4.946) 8.498 19.308 ( -2.945 -11.576 7.688) 14.205 19.606 ( -1.498 8.466 1.888) 8.802 20.173 ( -8.160 0.576 7.805) 11.306 20.227 ( 9.353 -5.677 9.978) 14.808 20.666 ( -5.900 -1.450 19.268) 20.204 21.002 ( 3.968 4.678 3.269) 6.951 21.267 ( -0.453 -4.755 1.945) 5.157 21.975 ( 2.275 3.545 1.112) 4.356 22.232 ( -5.099 -3.008 3.233) 6.745 22.635 ( -9.747 -4.384 -15.892) 19.151 23.330 ( 7.482 8.594 -11.266) 16.023 24.643 ( -5.101 1.968 12.305) 13.465 24.727 ( -0.958 1.417 9.774) 9.923 25.109 ( -2.854 1.715 14.777) 15.148 25.323 ( -4.116 -7.874 5.473) 10.436 25.728 ( 1.928 1.779 3.625) 4.475 26.124 ( -1.432 -2.790 -3.648) 4.811 27.359 ( -2.128 1.513 1.786) 3.164 27.666 ( 11.994 -4.182 1.994) 12.858 28.318 ( -13.854 -6.743 -14.769) 21.343 28.883 ( 15.432 9.005 -13.175) 22.200 ======================= Grid point 105 (50/128) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -14.239 8.481 19.317) 25.452 2.271 ( -1.938 30.199 18.632) 35.537 2.969 ( 7.284 -0.652 10.606) 12.883 3.115 ( 8.923 -3.365 -1.463) 9.648 3.264 ( -3.601 1.247 7.541) 8.450 3.551 ( -4.923 8.112 16.732) 19.236 3.770 ( -1.919 2.420 29.933) 30.092 4.000 ( -2.427 -2.338 12.730) 13.169 4.360 ( -5.637 -3.357 -8.488) 10.728 4.709 ( -2.416 -1.927 -10.064) 10.528 4.732 ( -0.453 12.558 15.208) 19.728 4.996 ( -2.593 -0.305 5.459) 6.051 5.093 ( -4.392 -1.412 7.504) 8.809 5.384 ( 1.022 -5.578 -1.583) 5.887 5.520 ( 3.631 -3.130 13.200) 14.043 5.920 ( 4.962 0.571 5.809) 7.661 5.984 ( -0.870 -22.598 -6.024) 23.403 6.254 ( -6.626 8.418 9.727) 14.470 6.490 ( -11.675 -0.591 9.661) 15.166 6.850 ( -2.533 -3.691 12.235) 13.029 6.867 ( 2.984 2.776 20.360) 20.764 7.326 ( -9.078 1.868 4.300) 10.217 7.723 ( 1.619 -6.127 22.989) 23.846 8.230 ( -1.247 0.852 -1.791) 2.342 8.433 ( 5.463 12.575 -7.521) 15.637 8.532 ( 4.907 10.515 -5.609) 12.888 8.669 ( -7.181 0.728 4.824) 8.682 9.056 ( -3.960 6.980 -6.620) 10.403 9.387 ( -9.862 1.712 5.369) 11.359 9.547 ( -5.914 -17.436 -5.073) 19.098 9.950 ( 10.666 6.900 -5.560) 13.866 10.011 ( -1.637 5.967 -4.949) 7.923 10.462 ( 8.858 1.475 -7.161) 11.486 10.931 ( 2.188 -14.986 0.001) 15.145 11.188 ( 1.917 -5.353 -0.477) 5.706 11.225 ( -3.239 -12.182 -5.240) 13.651 11.472 ( -2.510 -6.901 0.715) 7.378 11.668 ( -0.026 -6.180 3.774) 7.241 11.924 ( 2.712 0.394 1.114) 2.958 12.513 ( -0.836 -3.343 8.912) 9.555 13.029 ( -16.173 4.182 -1.797) 16.802 13.208 ( 13.948 7.748 8.047) 17.870 15.064 ( 7.458 6.634 -21.228) 23.458 15.534 ( 14.362 4.685 -20.526) 25.486 15.946 ( 8.371 -7.724 -24.736) 27.232 16.154 ( 14.456 17.979 1.908) 23.149 17.130 ( -21.798 5.612 -2.409) 22.637 17.878 ( 1.599 -2.328 -5.509) 6.191 18.319 ( -1.023 -8.974 -11.346) 14.502 18.508 ( 12.028 2.826 -4.413) 13.120 19.069 ( -0.368 -6.208 7.597) 9.818 19.368 ( -4.868 4.022 -0.629) 6.345 19.486 ( -5.404 -1.016 3.278) 6.402 20.142 ( -6.000 -2.725 8.845) 11.030 20.496 ( 8.575 -6.602 13.964) 17.667 20.701 ( -3.680 -3.217 13.406) 14.269 21.003 ( 4.886 -0.146 11.041) 12.075 21.358 ( 2.956 -3.990 -1.963) 5.340 21.948 ( 3.193 3.934 1.511) 5.287 22.239 ( -6.800 -4.777 1.813) 8.506 22.509 ( -12.821 -1.486 -11.647) 17.385 23.209 ( 3.207 8.935 -10.188) 13.925 24.604 ( -3.814 1.509 11.620) 12.323 24.743 ( 1.985 1.397 8.769) 9.098 25.171 ( -2.996 -7.980 14.030) 16.416 25.434 ( -3.421 -8.594 6.064) 11.060 25.746 ( 3.898 1.245 4.197) 5.862 26.155 ( -7.774 -9.700 -0.318) 12.434 27.330 ( -1.120 1.020 3.182) 3.524 27.879 ( 15.847 -2.258 0.057) 16.007 28.191 ( -13.197 -2.137 -13.235) 18.812 28.736 ( 10.694 22.890 -20.532) 32.556 ======================= Grid point 106 (51/128) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -3.555 6.676 32.945) 33.802 1.856 ( -2.987 25.871 31.059) 40.533 2.951 ( -9.653 10.374 39.691) 42.144 3.124 ( -1.400 0.559 -1.065) 1.846 3.321 ( 0.584 -4.048 11.629) 12.328 3.514 ( 6.467 0.699 13.400) 14.895 3.737 ( -1.025 3.977 3.885) 5.653 4.277 ( 5.143 -11.100 21.822) 25.018 4.325 ( -0.941 -4.118 -7.861) 8.924 4.591 ( -2.068 8.619 13.644) 16.270 4.757 ( 1.851 -1.870 -5.167) 5.799 4.939 ( -7.039 0.414 11.245) 13.272 5.049 ( -5.891 0.851 -5.344) 7.999 5.470 ( -10.710 -7.726 -4.944) 14.101 5.697 ( 5.956 -10.696 8.108) 14.684 5.893 ( -4.613 4.353 -3.455) 7.223 6.086 ( 1.478 5.710 20.485) 21.317 6.324 ( -3.787 -8.241 5.180) 10.444 6.456 ( -1.710 -10.487 -4.813) 11.665 6.757 ( -5.247 6.012 16.336) 18.181 7.071 ( -1.235 -0.754 19.192) 19.246 7.282 ( 12.260 -1.851 -0.610) 12.414 7.883 ( 2.528 -0.382 11.533) 11.813 8.193 ( 3.606 13.104 -10.953) 17.455 8.233 ( 2.518 1.462 -5.346) 6.087 8.310 ( 2.060 12.315 -3.246) 12.901 8.590 ( -12.314 -0.855 -2.097) 12.520 8.960 ( -7.958 0.018 13.302) 15.501 9.371 ( -4.565 -5.336 4.848) 8.534 9.709 ( -3.900 -12.587 -7.415) 15.120 9.810 ( -0.378 6.985 -5.612) 8.968 10.046 ( 13.831 4.079 -1.603) 14.508 10.500 ( 11.676 3.150 -15.485) 19.648 11.087 ( -8.464 -3.907 2.441) 9.636 11.111 ( -11.767 -4.568 -1.776) 12.747 11.321 ( 0.496 0.246 -4.107) 4.144 11.554 ( -2.640 -0.497 -6.637) 7.160 11.911 ( 1.030 -21.447 1.646) 21.535 12.079 ( 4.592 -10.971 9.603) 15.286 12.627 ( 6.658 -4.712 6.415) 10.378 12.774 ( -15.897 4.945 8.325) 18.614 13.129 ( 4.279 17.669 3.787) 18.570 14.969 ( 7.641 7.041 -20.757) 23.212 15.612 ( 11.288 -2.633 -21.583) 24.499 16.080 ( 9.788 1.288 -7.606) 12.463 16.117 ( 19.994 1.741 -17.621) 26.707 16.825 ( -3.190 10.476 7.714) 13.395 17.850 ( -4.774 0.522 -9.150) 10.334 18.468 ( 2.312 -12.515 -8.328) 15.209 18.627 ( 12.255 -0.915 -6.255) 13.789 19.086 ( -7.721 6.999 -1.287) 10.501 19.214 ( -4.890 1.158 4.823) 6.965 19.459 ( -9.361 -2.766 4.454) 10.729 20.172 ( -3.864 -3.573 8.312) 9.838 20.522 ( -2.982 4.824 4.905) 7.498 20.860 ( 5.133 -5.000 11.367) 13.437 21.242 ( 2.069 -13.956 10.515) 17.596 21.446 ( 8.903 -2.107 -0.822) 9.186 21.930 ( 2.739 3.412 1.724) 4.703 22.238 ( -7.317 -4.690 -0.750) 8.723 22.359 ( -6.673 2.279 -2.194) 7.385 23.089 ( 2.940 5.335 -8.003) 10.057 24.590 ( -2.446 0.699 11.466) 11.745 24.783 ( 4.119 1.421 9.667) 10.604 25.337 ( -3.513 -10.043 5.847) 12.140 25.547 ( -0.633 -5.470 6.088) 8.209 25.811 ( 9.776 1.348 1.535) 9.987 26.350 ( -17.168 -35.272 6.409) 39.748 27.317 ( -0.940 0.907 3.491) 3.727 27.941 ( -8.759 12.681 -13.638) 20.580 28.082 ( 11.191 10.682 -5.328) 16.363 28.257 ( 0.970 23.052 -15.198) 27.629 ======================= Grid point 108 (52/128) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 14.022 0.000 27.968) 31.286 2.085 ( 7.938 0.000 34.716) 35.612 3.020 ( -5.338 -0.000 -1.277) 5.489 3.261 ( 1.290 0.000 32.388) 32.414 3.526 ( 3.517 0.000 9.005) 9.668 3.614 ( -8.039 -0.000 7.769) 11.180 3.731 ( -0.663 -0.000 8.778) 8.803 3.914 ( -16.684 -0.000 -14.846) 22.333 4.134 ( -8.146 -0.000 -3.234) 8.764 4.486 ( -7.181 -0.000 11.692) 13.721 4.644 ( -4.833 -0.000 -9.077) 10.283 4.921 ( 2.077 0.000 -5.639) 6.010 5.077 ( -5.588 -0.000 43.705) 44.060 5.191 ( -0.496 -0.000 13.035) 13.044 5.685 ( 0.360 0.000 -2.809) 2.832 6.063 ( -11.879 -0.000 10.072) 15.574 6.152 ( 1.713 0.000 5.839) 6.085 6.281 ( -2.287 -0.000 10.811) 11.051 6.506 ( -6.931 -0.000 20.491) 21.631 6.669 ( 7.533 0.000 -10.015) 12.532 7.112 ( -5.153 -0.000 19.462) 20.133 7.676 ( -12.331 -0.000 -18.394) 22.145 7.833 ( -26.590 -0.000 22.951) 35.125 8.072 ( 16.040 0.000 -24.875) 29.598 8.192 ( 1.486 0.000 -3.477) 3.782 8.438 ( 25.644 0.000 -1.860) 25.711 8.693 ( 3.687 0.000 0.315) 3.700 8.960 ( 10.604 0.000 10.840) 15.164 9.316 ( -4.099 -0.000 4.505) 6.091 9.760 ( 3.677 0.000 -17.134) 17.524 9.889 ( 6.641 0.000 -3.323) 7.426 10.377 ( 3.875 0.000 -12.009) 12.618 10.506 ( 7.184 0.000 -15.093) 16.715 10.521 ( -20.517 -0.000 14.244) 24.977 11.063 ( 0.062 0.000 1.923) 1.924 11.245 ( -6.001 -0.000 -2.164) 6.379 11.317 ( 0.149 0.000 3.613) 3.616 11.966 ( -0.021 -0.000 -5.656) 5.656 12.114 ( -23.309 -0.000 10.697) 25.646 12.518 ( 2.231 0.000 19.674) 19.801 12.836 ( -3.170 -0.000 -10.100) 10.586 12.974 ( 0.794 0.000 3.185) 3.282 14.921 ( 7.216 0.000 -25.555) 26.554 15.815 ( 17.498 0.000 -20.704) 27.108 15.845 ( -4.867 -0.000 -6.155) 7.847 16.822 ( 25.044 0.000 -10.140) 27.019 17.340 ( -17.729 -0.000 -12.913) 21.933 17.695 ( 19.235 0.000 4.794) 19.823 18.202 ( -15.458 -0.000 -9.540) 18.165 18.606 ( 1.856 0.000 -14.429) 14.548 18.905 ( 3.636 0.000 3.210) 4.850 19.094 ( -5.667 -0.000 7.707) 9.566 19.487 ( 5.082 0.000 8.772) 10.138 20.158 ( -3.814 -0.000 9.104) 9.871 20.558 ( 4.493 0.000 0.510) 4.522 20.913 ( -6.357 -0.000 -3.438) 7.227 21.122 ( -23.824 -0.000 16.045) 28.723 21.241 ( -2.577 -0.000 9.889) 10.220 21.928 ( -0.078 -0.000 3.888) 3.889 22.343 ( 1.956 0.000 1.346) 2.375 22.473 ( 1.316 0.000 -14.203) 14.264 23.444 ( 22.685 0.000 -13.875) 26.592 24.655 ( -1.715 -0.000 12.471) 12.588 24.944 ( -2.413 -0.000 12.179) 12.415 25.337 ( -1.737 -0.000 2.847) 3.335 25.691 ( 2.876 0.000 4.703) 5.513 25.865 ( -9.930 -0.000 0.848) 9.966 26.337 ( -7.843 -0.000 -6.986) 10.503 27.201 ( -0.338 -0.000 2.496) 2.519 27.336 ( -3.334 -0.000 5.308) 6.268 27.605 ( -7.213 -0.000 -5.632) 9.151 28.682 ( 16.079 0.000 -6.376) 17.297 ======================= Grid point 109 (53/128) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 2.741 -0.775 22.035) 22.219 2.414 ( 12.749 -10.374 25.205) 30.091 2.896 ( -9.392 4.988 -0.813) 10.665 3.282 ( -11.933 3.442 23.010) 26.148 3.382 ( -12.690 2.607 -10.434) 16.634 3.624 ( -4.308 -1.409 -2.724) 5.288 3.717 ( 2.188 -0.959 1.636) 2.895 3.923 ( 10.204 -2.541 21.103) 23.578 4.119 ( -8.847 -8.823 6.230) 13.961 4.478 ( -1.737 2.530 6.469) 7.160 4.606 ( -0.645 -3.189 -1.695) 3.669 4.943 ( 1.306 -3.379 -2.175) 4.226 5.171 ( -9.429 -2.312 41.557) 42.676 5.227 ( 4.696 1.324 9.334) 10.532 5.690 ( 3.430 1.663 -2.248) 4.425 5.866 ( -6.014 15.194 4.083) 16.843 5.993 ( -3.012 1.603 3.935) 5.208 6.405 ( -0.635 2.712 24.917) 25.073 6.564 ( 2.323 1.625 -1.848) 3.384 6.809 ( 4.023 -15.877 15.352) 22.449 7.062 ( -12.351 4.053 12.745) 18.204 7.438 ( -18.274 1.842 -11.694) 21.774 7.625 ( -20.717 -1.869 17.284) 27.045 8.158 ( 3.051 -0.554 -9.600) 10.088 8.267 ( 5.419 -2.158 -4.220) 7.199 8.616 ( -1.037 -1.512 -11.894) 12.035 8.742 ( 10.948 -7.655 -8.698) 15.941 9.161 ( 20.506 3.524 12.927) 24.495 9.290 ( 1.003 1.135 6.921) 7.085 9.670 ( 1.621 9.986 -17.576) 20.280 9.867 ( 3.318 0.300 -8.828) 9.435 10.326 ( -11.935 4.805 12.766) 18.125 10.425 ( -2.776 -9.448 -21.123) 23.305 10.632 ( 6.626 -3.566 1.829) 7.744 10.992 ( -2.036 7.403 -0.900) 7.731 11.168 ( 0.090 3.585 2.218) 4.217 11.416 ( 0.646 -6.459 6.199) 8.976 11.760 ( -11.675 12.146 5.927) 17.860 12.015 ( -3.053 -2.614 -1.011) 4.144 12.601 ( -1.155 -0.332 18.741) 18.780 12.881 ( -4.157 -11.168 -10.102) 15.622 12.937 ( 2.854 4.328 1.838) 5.501 14.995 ( 6.668 -9.867 -27.117) 29.617 15.673 ( -1.730 9.991 -11.007) 14.965 15.982 ( 16.784 -0.350 -15.952) 23.158 16.973 ( 19.137 8.724 -7.816) 22.437 17.087 ( -17.638 -0.408 -11.889) 21.275 17.771 ( -17.284 -9.686 -7.498) 21.185 18.239 ( 20.601 -1.969 -0.098) 20.695 18.578 ( 0.575 -0.348 -13.851) 13.868 18.900 ( -1.174 4.539 5.644) 7.337 19.085 ( -2.428 -1.501 6.245) 6.866 19.573 ( 6.107 0.857 8.733) 10.691 20.140 ( -3.037 0.999 9.948) 10.449 20.553 ( -2.887 3.549 -5.560) 7.200 20.850 ( -7.310 2.633 8.030) 11.173 20.905 ( -9.296 1.391 12.571) 15.696 21.244 ( -3.972 0.179 9.993) 10.755 21.953 ( -0.459 -1.483 4.640) 4.893 22.329 ( 0.917 3.432 -1.368) 3.807 22.466 ( -3.116 -5.221 -11.389) 12.910 23.586 ( 18.754 4.465 -15.984) 25.042 24.670 ( -3.421 -0.223 12.286) 12.755 24.942 ( -5.577 -0.112 11.350) 12.646 25.266 ( -1.361 8.033 4.972) 9.545 25.573 ( -6.393 14.780 8.177) 18.061 25.788 ( -0.936 0.117 3.478) 3.603 26.149 ( 4.215 6.858 -4.877) 9.412 27.345 ( -0.388 -2.451 4.424) 5.073 27.406 ( -5.197 -10.166 -4.054) 12.116 27.642 ( -6.381 -20.162 -5.740) 21.913 28.828 ( 13.755 -0.841 -8.076) 15.973 ======================= Grid point 110 (54/128) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -18.299 6.565 4.997) 20.073 2.739 ( 9.970 -1.802 9.548) 13.921 2.848 ( 0.220 -9.651 7.967) 12.516 3.153 ( -1.580 3.950 2.827) 5.108 3.220 ( -14.845 -1.049 15.638) 21.587 3.579 ( -2.976 7.988 5.540) 10.166 3.765 ( 3.716 -3.721 3.482) 6.307 4.085 ( 8.553 6.288 0.251) 10.619 4.189 ( -14.483 -7.001 10.968) 19.470 4.483 ( 0.104 -9.923 7.838) 12.646 4.690 ( 3.915 -3.167 0.213) 5.040 5.072 ( 2.140 -9.733 3.157) 10.453 5.185 ( -5.504 1.695 25.439) 26.082 5.339 ( 8.738 0.547 10.351) 13.558 5.653 ( 5.575 7.371 -2.704) 9.629 5.706 ( -1.784 3.178 10.043) 10.683 5.979 ( 1.653 1.022 4.915) 5.285 6.313 ( -3.979 8.691 13.217) 16.312 6.601 ( -8.525 4.955 3.573) 10.487 6.839 ( -5.945 4.693 18.417) 19.914 7.138 ( -1.704 -13.615 10.436) 17.239 7.182 ( -18.823 0.938 11.377) 22.014 7.583 ( -12.100 -4.020 21.364) 24.879 8.146 ( -3.803 -3.128 6.678) 8.297 8.247 ( -0.164 1.036 -19.377) 19.405 8.539 ( -7.544 -1.203 -8.001) 11.062 8.924 ( 4.322 -1.690 -4.515) 6.475 9.354 ( 5.294 -4.128 0.478) 6.730 9.409 ( 16.405 -2.593 9.291) 19.031 9.458 ( 4.244 11.412 -12.742) 17.624 9.924 ( 4.026 -6.543 -16.542) 18.239 10.197 ( -7.994 2.473 9.571) 12.713 10.403 ( -4.915 -0.744 -17.842) 18.521 10.730 ( 5.362 1.948 7.621) 9.520 10.834 ( -2.836 6.436 -2.435) 7.442 11.137 ( 5.187 3.404 -1.257) 6.330 11.475 ( -1.732 6.246 2.437) 6.924 11.573 ( -4.410 -3.069 5.284) 7.536 12.040 ( 1.300 -1.333 -1.688) 2.514 12.548 ( -7.845 5.852 15.152) 18.038 12.960 ( -9.328 -12.269 -15.149) 21.611 13.049 ( 16.199 -1.914 10.235) 19.257 15.180 ( 5.776 -15.477 -27.551) 32.124 15.451 ( -2.082 9.166 -13.053) 16.086 16.032 ( 14.217 9.909 -16.342) 23.820 16.893 ( 4.194 12.803 1.577) 13.564 16.980 ( -9.548 -9.153 -17.186) 21.687 17.741 ( -6.762 -7.249 -8.380) 12.981 18.426 ( 7.232 4.172 -1.818) 8.545 18.622 ( 9.551 -6.462 -10.074) 15.312 18.803 ( -3.403 5.601 9.098) 11.213 19.106 ( -1.553 -1.306 5.073) 5.464 19.640 ( 1.482 -0.340 7.335) 7.491 20.142 ( -1.213 -0.417 11.263) 11.336 20.381 ( -4.087 8.121 -6.489) 11.170 20.686 ( -13.125 2.817 17.962) 22.424 21.015 ( 8.213 -3.840 5.470) 10.589 21.211 ( -5.029 1.185 7.683) 9.259 21.990 ( -0.682 -2.010 4.590) 5.057 22.269 ( -0.135 3.702 -1.392) 3.957 22.465 ( -5.907 -4.857 -10.387) 12.898 23.617 ( 14.115 7.587 -16.073) 22.697 24.666 ( -4.985 -0.054 12.159) 13.142 24.875 ( -5.902 4.937 10.051) 12.658 25.158 ( -2.098 3.248 9.213) 9.991 25.348 ( -3.360 9.980 7.878) 13.151 25.790 ( 1.010 1.755 3.553) 4.090 26.132 ( 4.598 2.074 -4.440) 6.720 27.376 ( -2.752 -1.318 0.015) 3.052 27.489 ( 5.533 -5.952 2.879) 8.621 27.878 ( -11.043 -20.819 -10.316) 25.725 28.953 ( 11.332 -1.283 -10.356) 15.405 ======================= Grid point 111 (55/128) ======================= q-point: (-0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -13.528 5.112 8.915) 16.989 2.789 ( -4.395 -3.611 -3.681) 6.775 2.987 ( -3.272 2.672 11.228) 11.996 3.167 ( 6.452 1.718 13.387) 14.960 3.290 ( 6.521 -8.767 12.726) 16.773 3.405 ( -6.282 7.791 7.340) 12.411 3.818 ( 1.180 4.196 5.317) 6.875 4.010 ( -7.941 -2.240 -2.449) 8.607 4.188 ( -3.590 -3.413 7.291) 8.815 4.598 ( -6.628 -4.594 -5.468) 9.743 4.854 ( 9.410 -5.867 4.668) 12.031 5.156 ( -7.343 1.528 11.801) 13.983 5.242 ( 3.019 -4.434 0.727) 5.414 5.433 ( 8.845 6.399 12.031) 16.246 5.629 ( 10.576 8.408 6.993) 15.213 5.687 ( -4.430 3.996 15.550) 16.655 5.969 ( 2.044 11.240 8.720) 14.372 6.140 ( -10.988 -7.339 5.027) 14.137 6.460 ( -7.676 -1.519 8.569) 11.604 6.759 ( -4.601 3.275 3.932) 6.882 7.123 ( -6.735 3.936 28.600) 29.645 7.254 ( -7.417 -5.690 7.008) 11.683 7.591 ( -11.281 -2.097 38.933) 40.588 8.184 ( -1.438 -3.657 -19.803) 20.189 8.285 ( -4.661 -13.820 5.059) 15.437 8.465 ( -2.899 -1.592 -2.626) 4.224 8.921 ( 1.474 2.135 -1.749) 3.129 9.274 ( -13.054 2.280 6.871) 14.927 9.394 ( 10.802 9.249 -6.203) 15.514 9.643 ( 11.240 4.544 -8.603) 14.866 10.000 ( 2.237 -4.923 -16.195) 17.074 10.124 ( -0.882 2.026 2.494) 3.332 10.336 ( 0.080 -6.319 -12.459) 13.970 10.703 ( 3.833 5.357 6.062) 8.952 10.829 ( -2.169 -6.499 0.707) 6.888 11.179 ( 12.044 2.421 -5.880) 13.620 11.348 ( -4.117 2.808 -6.637) 8.300 11.616 ( -1.528 -1.866 9.413) 9.717 12.043 ( 2.097 3.097 -2.649) 4.582 12.439 ( -9.581 1.296 17.660) 20.133 12.964 ( -9.993 -7.605 -15.659) 20.073 13.306 ( 16.941 -1.424 9.015) 19.244 15.268 ( 5.868 6.372 -21.039) 22.752 15.423 ( 1.049 -16.414 -21.570) 27.125 15.923 ( 11.756 11.396 -16.549) 23.280 16.702 ( 1.783 14.949 -3.598) 15.479 17.010 ( -10.856 -11.425 -7.266) 17.355 17.781 ( 2.531 -3.512 -5.740) 7.189 18.367 ( 3.290 7.334 -4.114) 9.030 18.650 ( 2.888 6.096 -1.171) 6.846 18.863 ( 2.514 -6.757 3.690) 8.099 19.133 ( -4.903 -5.032 3.241) 7.737 19.650 ( -3.153 0.511 4.930) 5.875 20.144 ( -6.575 2.739 7.629) 10.437 20.301 ( 7.628 -1.483 4.050) 8.763 20.612 ( -9.217 -1.487 16.271) 18.759 21.110 ( -0.159 4.092 4.471) 6.063 21.218 ( 3.132 -4.973 4.287) 7.275 22.030 ( 0.265 -1.803 3.803) 4.217 22.203 ( 0.180 4.416 -0.630) 4.464 22.421 ( -7.660 -3.273 -8.470) 11.880 23.549 ( 8.981 10.441 -15.404) 20.663 24.645 ( -5.015 0.604 12.204) 13.208 24.781 ( -3.189 3.328 9.969) 10.983 25.172 ( -3.268 -1.383 14.094) 14.534 25.217 ( -2.690 3.743 4.700) 6.583 25.778 ( -0.017 1.680 3.512) 3.893 26.120 ( 2.338 2.557 -4.523) 5.698 27.359 ( -1.416 0.349 1.116) 1.836 27.722 ( 13.557 -7.888 2.807) 15.934 27.970 ( -13.129 -12.339 -10.864) 21.039 29.032 ( 8.192 0.587 -14.626) 16.774 ======================= Grid point 112 (56/128) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -2.524 5.234 23.347) 24.059 2.696 ( -5.672 15.861 18.216) 24.811 2.929 ( -2.566 -5.489 1.242) 6.185 3.239 ( -8.979 2.690 3.615) 10.046 3.317 ( 18.613 4.631 5.129) 19.854 3.525 ( -0.721 -8.360 2.655) 8.801 3.875 ( -10.952 -4.066 4.483) 12.513 3.889 ( 0.536 0.030 22.641) 22.647 4.241 ( -1.610 -2.885 -3.719) 4.975 4.559 ( -3.326 -2.929 -11.069) 11.923 4.946 ( -7.427 4.085 6.472) 10.665 5.084 ( 0.533 1.100 5.737) 5.865 5.174 ( 0.798 15.464 6.782) 16.904 5.358 ( -1.707 6.598 12.274) 14.039 5.568 ( 1.153 2.690 9.311) 9.760 5.755 ( 5.156 -6.159 -1.465) 8.165 5.963 ( -4.498 -1.721 11.301) 12.284 6.233 ( -6.133 -5.971 10.561) 13.594 6.433 ( -3.549 0.574 13.645) 14.111 6.798 ( -0.217 -5.481 9.568) 11.029 7.066 ( 3.189 6.198 31.188) 31.957 7.260 ( -3.044 -1.671 -1.913) 3.964 7.669 ( -8.951 -6.799 35.921) 37.639 8.127 ( -7.945 -3.389 -18.767) 20.660 8.413 ( -4.913 -7.504 13.811) 16.468 8.589 ( 5.796 -6.113 0.128) 8.425 8.830 ( -3.480 10.349 -5.267) 12.122 9.139 ( -6.551 2.949 3.917) 8.182 9.321 ( -1.364 6.029 1.439) 6.347 9.428 ( 4.245 13.842 -21.302) 25.756 9.989 ( -6.493 0.204 -1.450) 6.656 10.194 ( 15.272 2.369 -5.848) 16.524 10.486 ( 7.171 -8.724 -13.945) 17.944 10.781 ( 2.080 -5.814 6.981) 9.320 10.942 ( -3.299 -13.722 -3.909) 14.644 11.195 ( 1.931 2.817 -4.893) 5.967 11.306 ( -0.934 -4.000 -9.422) 10.278 11.701 ( 7.163 -0.875 10.353) 12.620 11.977 ( -1.670 3.473 1.096) 4.006 12.422 ( -8.478 -4.727 16.356) 19.019 12.876 ( -10.940 -1.492 -12.154) 16.420 13.470 ( 11.438 4.390 3.857) 12.844 15.205 ( 10.471 5.536 -17.148) 20.841 15.539 ( 1.521 -5.878 -26.105) 26.802 15.942 ( 17.448 -1.069 -16.894) 24.310 16.440 ( -8.017 11.113 -7.502) 15.622 17.026 ( -1.825 -1.669 2.972) 3.866 17.864 ( 4.492 -2.371 -3.455) 6.143 18.254 ( 1.661 6.261 -6.137) 8.923 18.633 ( 6.081 1.592 -2.255) 6.678 18.988 ( -0.351 -5.859 5.949) 8.357 19.154 ( -11.688 -7.012 0.492) 13.639 19.591 ( -0.662 5.695 2.643) 6.314 20.072 ( -5.170 -0.796 6.033) 7.985 20.510 ( 7.590 -7.865 8.556) 13.881 20.622 ( -7.511 -5.172 16.230) 18.617 21.029 ( -4.342 2.704 4.109) 6.561 21.341 ( 2.737 -3.898 0.593) 4.800 22.089 ( 2.634 -2.482 3.369) 4.944 22.120 ( 0.233 5.939 -1.575) 6.149 22.373 ( -3.028 -1.340 -3.277) 4.659 23.390 ( 3.760 11.920 -13.482) 18.384 24.624 ( -3.531 1.027 12.177) 12.720 24.778 ( -1.397 -1.495 11.123) 11.309 25.134 ( -3.346 1.818 13.095) 13.637 25.280 ( -2.752 -7.889 7.086) 10.955 25.770 ( -1.492 -0.597 4.221) 4.517 26.076 ( 0.286 2.758 -4.604) 5.375 27.345 ( -0.521 0.862 2.558) 2.749 27.923 ( -11.743 -5.248 -9.372) 15.915 28.023 ( 16.546 -6.248 -0.183) 17.687 28.976 ( 2.776 8.372 -21.394) 23.141 ======================= Grid point 113 (57/128) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 4.185 7.395 31.206) 32.343 2.368 ( -2.085 26.769 25.573) 37.080 3.032 ( -0.392 -6.070 -2.294) 6.501 3.159 ( -6.330 0.213 16.118) 17.318 3.381 ( 8.651 10.084 10.247) 16.778 3.593 ( -0.386 -1.550 9.004) 9.145 3.744 ( -6.920 -0.444 7.213) 10.006 4.151 ( -1.419 -8.721 14.713) 17.163 4.203 ( -5.414 -5.493 -14.344) 16.285 4.569 ( -3.674 -6.834 -9.074) 11.939 4.783 ( -5.410 5.838 13.042) 15.279 5.008 ( -3.759 6.464 9.213) 11.866 5.085 ( 3.360 8.919 16.916) 19.416 5.295 ( -5.378 -0.186 -6.200) 8.210 5.604 ( -2.165 -5.973 5.599) 8.468 5.849 ( -8.795 -0.132 -7.259) 11.405 5.990 ( 0.392 -13.971 2.444) 14.188 6.267 ( -3.932 0.559 29.537) 29.803 6.431 ( -3.576 2.583 14.197) 14.866 6.839 ( -4.715 1.795 15.971) 16.748 7.164 ( 4.560 5.305 12.153) 14.022 7.395 ( 19.747 -8.008 4.322) 21.743 7.826 ( -7.604 -9.754 29.173) 31.686 8.064 ( -9.173 -8.478 -15.274) 19.731 8.491 ( -6.250 4.243 5.622) 9.417 8.502 ( 1.175 12.603 5.580) 13.833 8.613 ( 8.412 16.767 -15.887) 24.582 8.972 ( -2.765 6.709 -1.773) 7.470 9.231 ( -5.697 -3.991 4.746) 8.421 9.455 ( 3.076 -11.931 -10.212) 16.004 9.891 ( -0.640 5.355 -4.861) 7.260 10.274 ( 12.886 4.838 -1.064) 13.805 10.604 ( 8.541 -0.572 -16.695) 18.761 10.860 ( -10.926 -8.027 -1.754) 13.671 11.003 ( -4.086 0.298 -0.773) 4.169 11.271 ( 1.269 -2.465 -7.980) 8.448 11.394 ( -1.768 -17.210 -4.608) 17.904 11.735 ( -2.104 1.970 9.231) 9.671 12.033 ( 4.959 -5.550 8.014) 10.937 12.528 ( -2.941 -9.988 12.973) 16.635 12.715 ( -9.789 1.904 -4.432) 10.913 13.404 ( 0.977 13.132 -2.838) 13.471 15.156 ( 11.179 10.178 -18.678) 24.030 15.572 ( 6.511 -5.029 -24.379) 25.730 16.046 ( -5.132 1.098 -9.797) 11.114 16.273 ( 14.287 -1.175 -14.186) 20.168 17.102 ( 14.253 1.732 7.912) 16.394 17.839 ( 0.567 7.757 -4.770) 9.124 18.261 ( 0.381 -8.029 -6.243) 10.177 18.696 ( 5.964 -2.150 -6.002) 8.731 19.015 ( -13.577 -0.428 0.741) 13.604 19.121 ( -6.627 -4.273 6.176) 10.015 19.486 ( 1.019 7.758 2.528) 8.223 20.097 ( -2.631 -4.205 6.945) 8.534 20.570 ( -3.045 1.445 3.274) 4.699 20.821 ( 2.531 -10.032 11.398) 15.394 21.018 ( -8.355 -9.107 10.026) 15.914 21.389 ( -4.931 -3.468 -0.028) 6.029 22.015 ( -3.242 4.080 0.182) 5.214 22.199 ( 7.165 -2.399 2.201) 7.870 22.398 ( 10.470 1.582 -2.719) 10.932 23.211 ( 3.001 8.337 -9.642) 13.095 24.618 ( -1.949 0.855 12.252) 12.436 24.851 ( 0.706 -2.418 11.879) 12.143 25.170 ( -3.950 -6.517 11.169) 13.521 25.420 ( -2.733 -10.504 8.969) 14.080 25.815 ( -3.115 -7.439 6.567) 10.400 26.015 ( -0.691 2.743 -4.508) 5.322 27.335 ( -0.333 1.059 3.511) 3.683 27.807 ( -12.509 -1.623 -9.326) 15.687 28.281 ( 18.215 -1.020 -2.292) 18.387 28.632 ( -5.034 24.573 -25.361) 35.670 ======================= Grid point 116 (58/128) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -9.813 -0.000 12.485) 15.880 2.477 ( 8.530 0.000 26.722) 28.050 2.850 ( -10.316 -0.000 0.748) 10.343 3.150 ( -17.653 -0.000 8.016) 19.388 3.340 ( -4.412 -0.000 16.031) 16.627 3.623 ( -0.563 -0.000 0.631) 0.845 3.681 ( 4.538 0.000 5.680) 7.270 3.963 ( -6.127 -0.000 1.309) 6.265 4.092 ( 6.869 0.000 19.383) 20.564 4.512 ( 1.201 0.000 -10.318) 10.388 4.602 ( 3.845 0.000 17.842) 18.251 4.924 ( 0.351 0.000 -4.399) 4.413 5.209 ( -5.542 -0.000 33.000) 33.462 5.288 ( -2.408 -0.000 16.324) 16.501 5.744 ( 5.940 0.000 -1.402) 6.103 5.834 ( -7.623 -0.000 11.845) 14.086 6.258 ( 4.685 0.000 3.168) 5.656 6.318 ( 5.020 0.000 -7.518) 9.040 6.592 ( -5.351 -0.000 31.226) 31.681 6.805 ( 11.511 0.000 -10.526) 15.598 6.991 ( -21.874 -0.000 21.213) 30.470 7.236 ( -12.174 -0.000 -18.593) 22.224 7.447 ( -13.854 -0.000 22.471) 26.399 8.185 ( 3.427 0.000 -13.823) 14.242 8.249 ( -0.304 -0.000 4.030) 4.041 8.504 ( -7.864 -0.000 -10.307) 12.964 8.748 ( 3.537 0.000 -15.403) 15.804 9.307 ( -0.131 -0.000 8.686) 8.687 9.460 ( 18.222 0.000 13.459) 22.654 9.686 ( 3.764 0.000 -22.732) 23.041 9.890 ( -4.922 -0.000 -3.805) 6.221 10.143 ( -8.215 -0.000 -29.066) 30.205 10.364 ( -0.557 -0.000 13.207) 13.218 10.774 ( 16.566 0.000 12.884) 20.987 11.046 ( -2.102 -0.000 -2.592) 3.337 11.248 ( 3.331 0.000 5.951) 6.820 11.353 ( -0.557 -0.000 8.681) 8.698 11.703 ( -21.387 -0.000 16.853) 27.229 12.017 ( 7.364 0.000 -3.970) 8.366 12.644 ( -5.722 -0.000 -16.897) 17.840 12.658 ( -3.232 -0.000 15.525) 15.858 13.033 ( 4.012 0.000 7.358) 8.380 14.911 ( 8.891 0.000 -30.472) 31.743 15.712 ( -3.737 -0.000 -9.863) 10.547 16.106 ( 19.395 0.000 -19.518) 27.516 16.807 ( -22.500 -0.000 -14.100) 26.553 17.263 ( 19.572 0.000 -5.013) 20.204 17.433 ( -18.791 -0.000 -8.938) 20.808 18.440 ( 18.706 0.000 -0.960) 18.731 18.533 ( 0.897 0.000 -15.732) 15.758 18.951 ( -0.936 -0.000 4.102) 4.207 19.068 ( -1.035 -0.000 6.733) 6.812 19.701 ( 7.205 0.000 10.624) 12.837 20.151 ( -2.612 -0.000 11.171) 11.472 20.500 ( -7.370 -0.000 -7.393) 10.439 20.769 ( -18.637 -0.000 17.698) 25.701 20.920 ( 6.862 0.000 5.163) 8.587 21.240 ( -3.951 -0.000 10.340) 11.070 21.948 ( -1.490 -0.000 6.050) 6.231 22.326 ( -4.836 -0.000 -9.465) 10.628 22.393 ( 2.776 0.000 -1.694) 3.252 23.740 ( 13.528 0.000 -18.055) 22.561 24.662 ( -4.541 -0.000 11.232) 12.115 24.895 ( -8.124 -0.000 9.710) 12.660 25.343 ( 0.080 0.000 3.678) 3.679 25.678 ( -7.781 -0.000 4.455) 8.966 25.783 ( 2.264 0.000 4.361) 4.914 26.219 ( 1.321 0.000 -8.414) 8.518 27.206 ( -0.974 -0.000 3.284) 3.425 27.331 ( -0.040 -0.000 4.820) 4.820 27.497 ( -1.063 -0.000 -2.175) 2.420 28.920 ( 10.141 0.000 -9.846) 14.134 ======================= Grid point 117 (59/128) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -19.547 8.538 9.627) 23.402 2.689 ( -10.246 -3.240 7.975) 13.382 2.751 ( 1.936 -6.255 11.884) 13.569 3.005 ( -16.843 -2.744 8.893) 19.243 3.385 ( 7.615 3.699 19.802) 21.536 3.629 ( 0.668 0.756 2.135) 2.361 3.806 ( 3.293 1.614 6.291) 7.282 3.929 ( -8.578 -8.159 8.824) 14.765 4.232 ( 1.639 -5.045 11.314) 12.496 4.479 ( 4.929 7.125 -2.599) 9.045 4.702 ( 5.698 -1.833 7.691) 9.746 4.956 ( -0.990 -6.353 0.107) 6.431 5.219 ( -8.534 -4.018 11.926) 15.206 5.342 ( -5.072 -2.497 26.231) 26.834 5.787 ( 5.992 2.998 -1.673) 6.906 5.825 ( 4.547 5.068 8.370) 10.790 6.101 ( 5.728 9.431 2.203) 11.252 6.532 ( -8.090 7.339 8.909) 14.096 6.580 ( 1.698 -2.831 -6.312) 7.123 6.697 ( -8.747 -3.223 11.396) 14.723 7.023 ( -6.249 6.496 -11.529) 14.635 7.102 ( 2.169 -11.666 30.197) 32.445 7.459 ( -8.015 -3.586 23.171) 24.779 8.086 ( -7.030 2.525 -5.166) 9.082 8.194 ( -10.402 2.192 -1.270) 10.706 8.430 ( -1.552 -1.434 -12.355) 12.534 8.819 ( 1.893 -11.773 -12.653) 17.387 9.305 ( -8.975 1.192 6.537) 11.167 9.529 ( 4.247 7.073 1.448) 8.376 9.722 ( 10.743 -1.141 -8.586) 13.800 9.844 ( 9.957 0.255 -7.990) 12.769 10.029 ( -9.011 -5.569 -21.829) 24.263 10.408 ( 3.530 2.984 4.251) 6.280 10.890 ( -2.745 8.138 8.965) 12.415 10.997 ( 12.998 6.897 7.842) 16.674 11.244 ( 4.419 3.948 3.138) 6.705 11.470 ( -1.015 -7.226 11.062) 13.252 11.520 ( -11.975 3.667 9.471) 15.701 12.089 ( 7.261 0.846 -1.132) 7.398 12.541 ( -8.567 0.439 -1.224) 8.665 12.670 ( -6.817 -6.087 -5.686) 10.763 13.165 ( 8.876 -4.867 12.635) 16.190 14.974 ( 9.023 -7.835 -30.927) 33.155 15.538 ( -3.694 9.012 -13.628) 16.750 16.232 ( 12.456 3.848 -20.706) 24.468 16.583 ( -18.018 -10.065 -13.319) 24.563 17.112 ( -3.062 11.248 -5.607) 12.936 17.570 ( 8.367 -10.274 -5.483) 14.340 18.493 ( 1.537 0.605 -12.739) 12.846 18.631 ( 11.728 -3.250 -3.659) 12.708 18.901 ( -1.637 5.459 5.733) 8.084 19.095 ( -0.152 -0.607 4.740) 4.782 19.748 ( 2.598 5.785 9.910) 11.765 20.163 ( -1.257 0.205 12.691) 12.755 20.383 ( -5.873 1.797 -6.238) 8.754 20.624 ( -14.479 1.438 16.752) 22.189 21.051 ( 6.471 -3.819 6.951) 10.236 21.215 ( -3.459 1.786 8.396) 9.255 21.958 ( -2.770 -1.570 6.235) 7.000 22.266 ( -2.099 -0.897 -6.150) 6.560 22.405 ( 2.205 1.676 -2.943) 4.041 23.776 ( 9.167 3.464 -18.495) 20.931 24.649 ( -4.452 -0.097 10.849) 11.727 24.837 ( -9.018 -0.854 7.798) 11.952 25.290 ( 0.395 7.844 4.802) 9.206 25.496 ( -5.648 10.299 5.441) 12.945 25.824 ( 0.260 -0.001 3.502) 3.512 26.219 ( 6.676 2.794 -4.162) 8.348 27.284 ( -2.813 -6.694 0.682) 7.293 27.434 ( 3.376 -9.276 4.388) 10.803 27.535 ( -1.521 -7.184 -1.805) 7.562 28.988 ( 6.523 -1.492 -11.735) 13.508 ======================= Grid point 118 (60/128) ======================= q-point: (-0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -8.532 3.765 14.473) 17.217 2.588 ( -14.329 -5.699 0.003) 15.421 2.917 ( -12.418 -4.078 18.708) 22.822 3.008 ( 0.512 -12.179 6.727) 13.923 3.460 ( -5.104 2.430 3.754) 6.786 3.544 ( 3.830 7.428 12.658) 15.168 3.859 ( 3.575 -1.494 2.720) 4.734 3.932 ( -6.169 2.225 9.700) 11.709 4.292 ( 8.573 7.242 -2.219) 11.439 4.450 ( -3.451 -4.031 5.643) 7.746 4.889 ( 9.712 -5.685 4.400) 12.083 5.031 ( -6.763 -4.265 2.606) 8.409 5.257 ( -7.418 -8.273 6.001) 12.629 5.454 ( -3.476 -9.103 25.073) 26.900 5.750 ( -1.502 7.549 0.114) 7.698 5.795 ( 5.335 4.380 2.823) 7.457 6.052 ( -5.298 4.091 3.471) 7.540 6.327 ( 6.078 14.812 10.962) 19.403 6.426 ( -4.794 7.470 5.276) 10.326 6.845 ( 4.691 8.531 -6.064) 11.470 6.925 ( -8.252 -16.462 11.597) 21.762 7.316 ( -2.545 3.274 37.830) 38.057 7.506 ( -10.255 -7.125 25.876) 28.731 8.019 ( -4.498 -3.212 -13.808) 14.873 8.108 ( -2.663 -7.221 0.921) 7.751 8.399 ( -1.625 -1.505 -5.926) 6.326 8.956 ( 0.855 -3.866 -1.841) 4.367 9.112 ( -15.816 3.298 5.178) 16.966 9.570 ( 8.032 -2.747 -9.286) 12.581 9.788 ( 1.670 -0.009 -4.885) 5.162 9.971 ( 15.381 3.135 -8.492) 17.848 10.025 ( 0.925 -10.394 -17.301) 20.204 10.300 ( -2.317 10.034 -3.021) 10.732 10.752 ( -2.331 2.901 -0.192) 3.726 10.985 ( 3.116 11.620 23.204) 26.137 11.311 ( 7.378 0.846 -4.477) 8.672 11.361 ( -1.022 6.044 -3.641) 7.129 11.597 ( 1.191 -4.558 10.692) 11.684 12.117 ( 2.299 3.307 0.077) 4.028 12.410 ( -10.498 3.084 11.805) 16.096 12.696 ( -4.837 -8.574 -16.355) 19.089 13.417 ( 9.233 -7.088 11.984) 16.707 15.142 ( 7.952 -13.348 -28.787) 32.713 15.348 ( 0.590 5.123 -14.721) 15.598 16.089 ( -1.628 6.646 -18.934) 20.133 16.601 ( -9.538 -7.106 -19.424) 22.777 16.961 ( 5.017 4.921 1.876) 7.274 17.770 ( 9.524 -4.180 -4.827) 11.466 18.460 ( 1.937 1.737 -7.643) 8.073 18.736 ( 2.119 -0.196 -8.793) 9.047 18.840 ( 1.123 1.902 10.253) 10.488 19.093 ( -0.986 1.708 2.819) 3.440 19.669 ( -2.840 5.291 7.325) 9.472 20.163 ( -3.984 3.475 9.100) 10.524 20.335 ( 1.639 -2.234 3.856) 4.748 20.533 ( -10.601 -0.867 13.784) 17.411 21.131 ( -6.192 0.405 6.514) 8.996 21.226 ( 5.946 -1.428 5.164) 8.004 21.977 ( -3.610 -2.875 5.231) 6.975 22.279 ( 4.031 -1.713 -3.851) 5.832 22.365 ( 1.589 4.653 -2.509) 5.520 23.712 ( 5.093 6.988 -18.826) 20.717 24.641 ( -3.644 0.072 11.380) 11.949 24.777 ( -7.240 -0.308 6.367) 9.647 25.200 ( 0.182 5.057 8.171) 9.611 25.319 ( -4.584 7.793 8.052) 12.107 25.809 ( -1.477 2.022 2.582) 3.597 26.208 ( 4.743 5.372 -3.289) 7.885 27.338 ( -0.611 -2.482 0.586) 2.623 27.630 ( -7.488 -10.928 -3.840) 13.792 27.715 ( 12.712 -12.835 3.434) 18.388 29.025 ( 2.441 -1.817 -14.524) 14.839 ======================= Grid point 119 (61/128) ======================= q-point: (-0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 3.157 -0.081 22.700) 22.919 2.613 ( -6.698 -13.180 -1.132) 14.828 2.921 ( -6.786 -1.531 22.841) 23.877 3.198 ( -13.964 5.655 -1.193) 15.113 3.231 ( -3.446 -9.424 4.736) 11.096 3.624 ( -7.074 -10.182 -0.335) 12.402 3.807 ( 13.318 12.937 7.996) 20.216 3.934 ( -1.591 2.217 4.375) 5.156 4.277 ( 5.891 4.625 2.126) 7.785 4.494 ( 0.800 -2.160 -2.482) 3.386 4.940 ( -8.335 4.512 5.930) 11.180 5.009 ( 0.571 -3.401 -5.156) 6.203 5.339 ( -0.582 -2.987 4.985) 5.841 5.521 ( -8.884 8.233 12.540) 17.434 5.665 ( -8.264 -0.974 14.785) 16.966 5.814 ( -1.688 0.953 7.732) 7.971 5.879 ( -6.218 5.232 5.727) 9.941 6.180 ( 2.679 6.377 15.706) 17.161 6.470 ( 3.648 -2.663 15.212) 15.868 6.769 ( -2.194 1.816 3.893) 4.824 7.114 ( -2.829 -12.909 4.440) 13.941 7.326 ( 2.487 6.147 35.729) 36.340 7.601 ( -5.691 -4.283 29.381) 30.231 7.923 ( -8.875 -0.615 -20.293) 22.157 8.294 ( 2.601 -10.539 5.953) 12.380 8.482 ( 2.171 -8.761 1.802) 9.204 8.897 ( -3.462 6.633 -1.705) 7.674 9.027 ( -6.723 -5.096 8.977) 12.319 9.573 ( 9.491 13.450 -11.858) 20.288 9.753 ( 1.823 24.298 -10.318) 26.461 9.829 ( -5.739 -9.988 -6.225) 13.094 10.243 ( 7.818 -14.733 -17.531) 24.197 10.304 ( 7.530 -6.732 -8.043) 12.912 10.769 ( 0.929 -4.787 -0.532) 4.905 10.865 ( -4.523 9.771 16.228) 19.475 11.192 ( -3.275 4.498 -4.867) 7.393 11.372 ( 7.482 4.858 -7.215) 11.474 11.779 ( 10.663 -7.221 8.980) 15.700 11.999 ( -7.779 6.570 -0.577) 10.199 12.346 ( -6.983 -0.230 17.374) 18.726 12.695 ( -4.224 -3.957 -15.517) 16.562 13.597 ( 4.260 -1.212 4.409) 6.250 15.307 ( 5.168 -0.955 -10.987) 12.179 15.340 ( 8.136 -10.178 -29.522) 32.270 16.017 ( 5.722 -4.430 -13.998) 15.758 16.371 ( -15.196 8.171 -16.251) 23.702 17.057 ( 10.162 -1.472 0.942) 10.311 17.882 ( 7.560 -0.940 -3.825) 8.525 18.420 ( 3.621 5.538 -5.101) 8.355 18.685 ( 0.669 2.413 -6.216) 6.701 18.882 ( -5.350 -3.453 6.017) 8.761 19.056 ( -0.093 2.456 5.168) 5.723 19.622 ( -1.877 -0.465 4.888) 5.256 20.066 ( -3.768 4.183 4.951) 7.497 20.476 ( 3.009 -6.388 7.300) 10.156 20.498 ( -9.969 -4.250 15.523) 18.931 21.045 ( -5.457 3.628 3.928) 7.640 21.305 ( -0.064 -1.814 3.292) 3.759 22.001 ( -3.921 -3.357 3.141) 6.042 22.290 ( 0.837 5.317 0.373) 5.396 22.388 ( 13.836 -1.291 -4.024) 14.467 23.543 ( 0.374 10.311 -17.725) 20.509 24.641 ( -2.610 0.438 12.266) 12.548 24.746 ( -5.027 -1.767 8.187) 9.768 25.171 ( -6.545 0.897 14.772) 16.182 25.233 ( 1.904 2.299 5.497) 6.255 25.759 ( -3.026 1.482 2.004) 3.920 26.146 ( 2.314 5.282 -3.906) 6.965 27.362 ( 0.784 -0.015 1.837) 1.997 27.661 ( -10.014 -7.104 -5.004) 13.259 28.100 ( 19.211 -11.011 0.741) 22.155 28.979 ( -2.844 1.678 -18.621) 18.911 ======================= Grid point 120 (62/128) ======================= q-point: (-0.14 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 6.522 2.783 25.921) 26.873 2.748 ( -1.484 9.180 12.643) 15.695 2.899 ( -2.244 -3.380 2.446) 4.738 3.002 ( -11.213 -7.769 7.638) 15.634 3.424 ( -5.594 -16.079 6.416) 18.193 3.652 ( -2.116 -2.736 -4.055) 5.329 3.813 ( -7.085 6.735 3.818) 10.494 3.872 ( 9.879 2.265 -1.806) 10.295 4.244 ( 2.068 5.869 7.099) 9.440 4.503 ( 1.276 1.057 -4.720) 5.002 4.803 ( -6.099 5.408 13.062) 15.396 5.082 ( -1.401 -8.194 -8.459) 11.860 5.258 ( 2.326 15.238 3.805) 15.877 5.376 ( -9.482 5.225 26.617) 28.734 5.529 ( -6.635 3.077 7.463) 10.449 5.698 ( -10.722 0.057 -2.671) 11.050 5.870 ( -3.852 -4.994 8.949) 10.948 6.325 ( 2.001 -1.952 30.954) 31.080 6.513 ( -1.547 4.493 13.432) 14.248 6.779 ( -8.734 -5.942 15.119) 18.444 7.329 ( 5.227 -5.026 0.131) 7.253 7.432 ( 2.752 -3.502 28.101) 28.452 7.668 ( -7.858 -8.531 5.259) 12.735 7.830 ( -2.627 -1.300 5.151) 5.926 8.504 ( 8.044 -5.167 2.919) 9.996 8.597 ( -5.459 -3.785 1.713) 6.861 8.785 ( 4.992 4.570 2.061) 7.075 9.056 ( -4.316 5.243 -0.172) 6.793 9.287 ( -1.684 11.769 1.177) 11.947 9.457 ( 10.636 13.013 -25.338) 30.405 9.903 ( 0.064 -3.072 -4.989) 5.859 10.428 ( 7.814 0.388 -3.243) 8.469 10.500 ( 5.664 -12.768 -21.082) 25.289 10.661 ( -14.331 -0.060 6.560) 15.761 10.950 ( 3.427 -6.054 -2.091) 7.264 11.126 ( -5.162 -5.093 -2.304) 7.608 11.323 ( 5.496 5.332 -5.835) 9.627 11.794 ( -8.441 6.365 2.362) 10.833 12.077 ( 13.170 -4.661 9.737) 17.029 12.355 ( -7.813 -8.731 8.176) 14.287 12.645 ( -2.088 1.184 -2.249) 3.290 13.545 ( -3.845 8.118 -5.087) 10.323 15.337 ( 7.885 2.386 -18.358) 20.122 15.477 ( 10.340 -6.078 -21.621) 24.725 15.988 ( -13.263 9.338 -11.083) 19.645 16.272 ( 13.300 -14.292 -9.476) 21.701 17.178 ( 7.520 -1.589 -2.133) 7.977 17.967 ( 6.917 -1.501 -2.635) 7.553 18.311 ( 3.092 11.205 -3.109) 12.033 18.649 ( -1.509 -1.420 -10.886) 11.081 18.852 ( -9.601 -2.256 5.929) 11.507 19.068 ( -0.144 -0.369 8.820) 8.829 19.623 ( 1.017 4.419 4.590) 6.452 20.035 ( -0.957 -2.774 4.264) 5.177 20.479 ( -8.225 -5.105 3.159) 10.183 20.689 ( -1.923 -10.975 18.333) 21.453 20.941 ( -4.074 3.620 2.543) 6.014 21.307 ( -4.606 -0.746 3.660) 5.930 22.005 ( -2.783 -0.664 1.040) 3.044 22.244 ( 0.430 1.652 3.572) 3.959 22.572 ( 18.812 -0.003 -9.097) 20.896 23.325 ( -0.038 8.049 -12.789) 15.111 24.649 ( -1.975 0.527 12.976) 13.136 24.788 ( -4.147 -5.868 11.476) 13.540 25.148 ( -4.082 0.427 14.878) 15.434 25.282 ( -1.395 -4.661 5.910) 7.655 25.731 ( -2.753 -1.426 2.697) 4.109 26.080 ( 2.329 4.054 -4.645) 6.591 27.370 ( 1.341 1.368 3.022) 3.578 27.616 ( -9.749 -3.342 -5.022) 11.464 28.441 ( 19.764 -4.501 -2.654) 20.443 28.751 ( -8.845 11.495 -21.914) 26.279 ======================= Grid point 124 (63/128) ======================= q-point: (-0.57 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -16.743 -0.000 16.275) 23.350 2.537 ( -18.871 -0.000 7.354) 20.254 2.794 ( 6.118 0.000 14.128) 15.396 2.832 ( -16.826 -0.000 16.513) 23.575 3.407 ( -5.000 -0.000 3.162) 5.916 3.677 ( -6.678 -0.000 -1.618) 6.871 3.849 ( 7.523 0.000 24.437) 25.568 3.954 ( 4.423 0.000 5.227) 6.847 4.185 ( -2.812 -0.000 19.046) 19.252 4.634 ( 13.215 0.000 -7.570) 15.229 4.792 ( 0.063 0.000 0.560) 0.563 4.872 ( -2.376 -0.000 -0.662) 2.467 4.977 ( -18.867 -0.000 10.577) 21.629 5.421 ( -1.340 -0.000 31.674) 31.702 5.861 ( 3.643 0.000 -0.694) 3.709 5.903 ( -4.438 -0.000 5.349) 6.951 6.315 ( -1.132 -0.000 -3.876) 4.038 6.353 ( 0.161 0.000 6.930) 6.932 6.492 ( -1.165 -0.000 -7.266) 7.359 6.930 ( -0.824 -0.000 42.976) 42.984 7.000 ( 1.416 0.000 -6.195) 6.355 7.074 ( 17.499 0.000 -15.780) 23.563 7.470 ( -4.903 -0.000 33.430) 33.788 7.973 ( -13.283 -0.000 -3.707) 13.791 8.067 ( -16.928 -0.000 -1.048) 16.961 8.395 ( 1.799 0.000 -12.314) 12.444 8.675 ( 5.038 0.000 -13.038) 13.977 9.219 ( -13.228 -0.000 2.830) 13.527 9.572 ( -10.910 -0.000 8.448) 13.798 9.734 ( 10.291 0.000 -13.067) 16.633 9.842 ( 1.131 0.000 -28.606) 28.628 10.045 ( 18.180 0.000 2.000) 18.290 10.510 ( 5.411 0.000 6.174) 8.209 10.898 ( -8.469 -0.000 -2.098) 8.725 11.303 ( 17.654 0.000 14.217) 22.666 11.394 ( 7.197 0.000 3.657) 8.072 11.396 ( -9.281 -0.000 23.565) 25.327 11.428 ( -7.698 -0.000 11.563) 13.891 12.172 ( 5.303 0.000 0.439) 5.321 12.421 ( -0.795 -0.000 -20.948) 20.963 12.558 ( -10.830 -0.000 7.113) 12.958 13.232 ( 4.964 0.000 15.406) 16.187 14.924 ( 11.834 0.000 -34.471) 36.446 15.498 ( -9.037 -0.000 -14.866) 17.397 16.189 ( -20.921 -0.000 -17.917) 27.545 16.358 ( 11.238 0.000 -19.438) 22.453 17.155 ( 0.087 0.000 -6.317) 6.317 17.607 ( 14.307 0.000 -3.172) 14.655 18.470 ( 3.309 0.000 -15.151) 15.509 18.690 ( 4.523 0.000 -5.097) 6.814 18.943 ( -1.359 -0.000 3.725) 3.965 19.117 ( 1.303 0.000 5.105) 5.269 19.859 ( -0.414 -0.000 11.263) 11.271 20.203 ( 0.169 0.000 14.355) 14.356 20.308 ( -5.069 -0.000 -3.219) 6.004 20.532 ( -13.500 -0.000 15.748) 20.742 21.082 ( -0.511 -0.000 7.443) 7.461 21.246 ( 2.179 0.000 7.576) 7.883 21.927 ( -4.016 -0.000 6.132) 7.330 22.237 ( 2.230 0.000 -4.109) 4.675 22.448 ( 3.377 0.000 -2.297) 4.085 23.817 ( 5.119 0.000 -19.535) 20.194 24.641 ( -3.125 -0.000 10.366) 10.827 24.748 ( -9.241 -0.000 6.447) 11.267 25.374 ( 0.354 0.000 3.765) 3.782 25.508 ( -9.214 -0.000 -0.598) 9.234 25.826 ( -0.912 -0.000 3.457) 3.576 26.352 ( 13.472 0.000 -0.872) 13.500 27.207 ( -0.706 -0.000 3.009) 3.091 27.382 ( 0.831 0.000 6.667) 6.718 27.499 ( 1.618 0.000 -0.580) 1.719 28.984 ( 2.355 0.000 -12.979) 13.191 ======================= Grid point 125 (64/128) ======================= q-point: (-0.43 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -3.297 3.407 19.162) 19.740 2.349 ( -19.704 -2.347 8.478) 21.578 2.760 ( -14.657 -4.457 22.693) 27.380 2.932 ( 4.368 -4.782 8.676) 10.827 3.356 ( -12.535 -0.594 -2.435) 12.784 3.582 ( -7.230 0.093 -1.642) 7.415 3.889 ( -4.808 0.990 12.182) 13.134 4.041 ( 7.357 0.971 14.844) 16.595 4.343 ( 7.591 -4.675 16.507) 18.760 4.582 ( -1.956 7.851 -4.506) 9.261 4.751 ( -14.310 -11.866 -2.736) 18.790 4.912 ( 4.691 -4.425 1.410) 6.601 5.021 ( -1.337 -4.232 9.323) 10.326 5.475 ( -6.463 0.503 30.326) 31.011 5.787 ( -6.690 5.329 0.772) 8.588 5.899 ( 3.621 0.135 3.784) 5.239 6.129 ( -4.320 10.488 -4.771) 12.306 6.430 ( -1.200 0.443 15.719) 15.771 6.578 ( 1.762 -8.951 -5.093) 10.448 6.811 ( 0.090 13.311 10.525) 16.969 7.076 ( 12.259 9.510 -7.479) 17.224 7.308 ( 0.116 -11.787 16.131) 19.979 7.493 ( -3.844 4.604 31.173) 31.745 7.871 ( -7.861 -3.439 -5.778) 10.345 7.962 ( -3.394 -8.964 -0.106) 9.585 8.349 ( -0.806 0.510 -8.928) 8.979 8.821 ( 4.725 -11.135 -7.874) 14.433 9.066 ( -9.200 3.282 2.934) 10.199 9.474 ( -10.114 -1.477 6.489) 12.108 9.778 ( 1.052 -1.279 -24.573) 24.629 9.866 ( 11.783 -4.885 -10.893) 16.774 10.230 ( 16.013 1.440 1.457) 16.143 10.484 ( 0.898 13.528 1.956) 13.698 10.768 ( -4.385 2.132 -1.166) 5.013 11.214 ( -6.993 10.585 20.118) 23.784 11.366 ( -2.954 4.155 9.121) 10.448 11.510 ( 9.431 2.587 1.606) 9.910 11.567 ( 5.088 -5.517 9.625) 12.205 12.175 ( -1.008 3.365 -0.889) 3.624 12.395 ( -2.393 1.204 3.256) 4.216 12.498 ( -2.119 -6.030 -10.977) 12.703 13.390 ( 1.744 -7.886 15.713) 17.667 14.998 ( 12.771 -6.311 -34.272) 37.115 15.323 ( -6.688 1.555 -14.094) 15.678 15.921 ( -19.059 -2.549 -17.462) 25.975 16.437 ( 5.536 -3.319 -22.662) 23.563 17.131 ( 10.174 6.198 -2.700) 12.215 17.799 ( 12.007 -5.925 -4.310) 14.066 18.463 ( 3.540 0.971 -11.415) 11.991 18.674 ( -4.759 -0.803 -9.110) 10.309 18.931 ( 1.402 1.987 5.156) 5.700 19.133 ( 1.101 1.368 2.370) 2.950 19.791 ( -3.929 8.667 11.645) 15.039 20.220 ( -1.832 3.630 8.988) 9.865 20.314 ( 0.936 -3.682 9.211) 9.964 20.445 ( -11.451 -0.525 13.634) 17.812 21.072 ( -6.843 -1.039 6.359) 9.399 21.306 ( 5.029 1.113 6.046) 7.943 21.913 ( -4.104 -1.655 4.942) 6.634 22.292 ( 7.239 -1.548 -2.838) 7.928 22.458 ( 3.454 2.276 -1.728) 4.483 23.763 ( 1.605 3.342 -20.897) 21.223 24.641 ( -3.323 0.143 10.512) 11.025 24.693 ( -6.681 -1.985 5.499) 8.878 25.323 ( -2.031 6.911 3.431) 7.978 25.381 ( -4.445 3.771 3.995) 7.066 25.815 ( -2.954 0.572 2.407) 3.853 26.407 ( 10.467 11.113 0.250) 15.269 27.265 ( 0.074 -5.416 1.888) 5.736 27.481 ( -0.516 -4.002 2.100) 4.549 27.617 ( 7.921 -14.298 3.366) 16.689 28.954 ( -1.732 -1.267 -14.488) 14.646 ======================= Grid point 126 (65/128) ======================= q-point: (-0.29 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 9.603 -2.204 18.728) 21.162 2.306 ( -11.017 -12.311 6.242) 17.661 2.776 ( -16.265 -8.168 16.901) 24.838 3.066 ( -1.200 -3.930 0.995) 4.228 3.152 ( -11.677 1.419 3.531) 12.281 3.487 ( -6.916 1.455 2.523) 7.504 3.857 ( -7.859 0.220 9.528) 12.353 4.174 ( 12.026 1.420 10.042) 15.732 4.452 ( 1.704 6.015 -3.884) 7.360 4.511 ( 10.359 0.743 3.882) 11.087 4.854 ( -13.306 -15.232 -0.401) 20.229 5.008 ( -6.959 -10.322 9.493) 15.655 5.044 ( -0.523 4.016 8.144) 9.095 5.470 ( -15.092 -3.349 25.881) 30.147 5.644 ( -3.605 6.322 3.402) 8.033 5.879 ( -6.533 8.687 -5.968) 12.401 5.973 ( 5.298 4.672 8.673) 11.185 6.408 ( -1.116 5.435 6.369) 8.447 6.593 ( 1.517 9.341 22.753) 24.643 6.732 ( -10.839 -4.105 2.444) 11.845 6.996 ( 6.151 1.249 1.952) 6.573 7.398 ( -10.142 -1.549 21.414) 23.745 7.670 ( 11.386 -9.163 17.370) 22.701 7.786 ( -6.291 4.881 -3.377) 8.649 8.175 ( 5.143 -11.801 -0.961) 12.909 8.400 ( 3.372 -7.048 -0.386) 7.823 8.944 ( -1.659 1.779 -8.248) 8.599 8.975 ( 1.840 -0.341 13.414) 13.544 9.511 ( -6.093 -14.334 -1.811) 15.680 9.730 ( 3.591 1.100 -21.866) 22.187 10.065 ( 4.191 -5.999 -7.760) 10.666 10.108 ( -3.120 19.746 -8.363) 21.670 10.366 ( 13.639 3.355 -0.591) 14.059 10.746 ( -1.230 0.704 1.092) 1.789 11.022 ( -4.852 11.261 12.158) 17.267 11.269 ( -1.918 7.044 4.559) 8.607 11.497 ( 2.862 5.179 -3.716) 6.987 11.764 ( 5.575 -8.186 8.784) 13.238 12.028 ( -5.562 7.525 -4.201) 10.257 12.357 ( -3.396 2.203 8.670) 9.568 12.591 ( 5.444 -4.773 -7.543) 10.456 13.554 ( -3.691 -6.841 9.148) 12.004 15.160 ( 10.521 -9.373 -29.639) 32.818 15.279 ( 1.913 -5.192 -13.349) 14.450 15.803 ( -8.965 -10.979 -12.096) 18.634 16.353 ( -2.503 7.017 -23.021) 24.196 17.202 ( 14.711 2.301 -0.894) 14.917 17.975 ( 11.415 -0.630 -4.877) 12.429 18.409 ( -5.584 1.315 -6.515) 8.681 18.597 ( -4.986 -3.313 -14.467) 15.657 18.938 ( 1.988 4.142 8.002) 9.227 19.145 ( 4.234 0.330 3.258) 5.353 19.643 ( -4.325 6.730 9.656) 12.539 20.144 ( -1.574 6.294 8.057) 10.345 20.382 ( -10.725 -1.415 11.966) 16.131 20.449 ( 2.612 -4.938 14.295) 15.348 21.020 ( -7.053 -0.160 4.449) 8.341 21.332 ( 1.467 2.535 4.070) 5.015 21.923 ( -3.049 -2.837 3.174) 5.236 22.349 ( 1.240 2.683 0.630) 3.022 22.516 ( 13.244 -2.165 -5.115) 14.361 23.603 ( -3.084 7.244 -21.211) 22.625 24.641 ( -4.013 -1.585 9.645) 10.566 24.692 ( -3.312 -1.326 7.509) 8.314 25.181 ( -7.152 5.439 10.236) 13.620 25.337 ( 2.547 3.726 6.693) 8.073 25.758 ( -4.001 2.077 1.140) 4.650 26.284 ( 2.775 11.024 -0.995) 11.411 27.350 ( 0.393 -3.825 1.349) 4.075 27.508 ( -1.865 -1.683 0.205) 2.520 28.070 ( 17.967 -19.588 0.641) 26.588 28.879 ( -6.144 -0.327 -16.442) 17.555 ======================= Grid point 127 (66/128) ======================= q-point: (-0.14 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 10.967 1.244 20.131) 22.958 2.576 ( 1.498 -23.000 0.157) 23.050 2.637 ( -23.824 -4.028 -9.373) 25.917 3.108 ( -0.018 -4.653 26.261) 26.670 3.163 ( -3.566 -0.596 7.405) 8.241 3.453 ( -4.428 -5.434 -3.832) 7.989 3.773 ( -6.444 3.271 6.400) 9.653 4.227 ( 6.757 8.443 -0.924) 10.854 4.395 ( 4.744 5.664 3.464) 8.160 4.594 ( 9.727 5.394 -1.615) 11.239 4.901 ( 1.797 -6.999 -4.154) 8.335 4.933 ( -4.080 8.546 8.532) 12.747 5.182 ( -19.404 -15.632 28.251) 37.670 5.436 ( -19.244 -2.817 10.914) 22.302 5.476 ( -0.987 6.264 4.521) 7.788 5.759 ( 1.065 0.740 -0.950) 1.608 5.788 ( -6.264 14.310 9.460) 18.262 6.458 ( 2.871 -0.098 12.535) 12.860 6.581 ( -3.253 1.498 17.426) 17.790 6.645 ( -7.078 -1.687 12.234) 14.235 7.172 ( -5.199 -10.660 16.416) 20.252 7.434 ( -4.040 -6.922 22.553) 23.935 7.559 ( -8.333 7.113 -9.893) 14.762 7.964 ( 11.168 1.315 20.123) 23.052 8.445 ( 11.479 -15.181 -4.201) 19.490 8.511 ( -0.028 -2.423 0.879) 2.578 8.845 ( -4.172 3.111 -3.546) 6.297 9.109 ( 7.804 -2.579 15.352) 17.414 9.502 ( -11.177 21.528 -3.534) 24.513 9.663 ( 1.691 -0.152 -24.199) 24.259 9.774 ( 7.297 -3.756 -11.746) 14.329 10.303 ( 6.430 -11.972 -13.509) 19.162 10.457 ( 6.306 -2.833 -3.036) 7.551 10.594 ( -12.843 9.305 6.594) 17.175 10.942 ( 4.957 1.433 1.451) 5.360 11.123 ( -3.678 8.669 -1.364) 9.515 11.437 ( 3.104 4.343 -4.295) 6.851 11.785 ( -9.823 5.085 4.047) 11.778 12.065 ( 3.329 -13.655 -0.484) 14.063 12.294 ( 2.149 5.612 3.597) 7.004 12.698 ( 7.658 -0.162 6.766) 10.220 13.539 ( -9.102 1.645 -2.753) 9.650 15.259 ( 3.038 -5.918 -23.279) 24.211 15.439 ( 11.456 -10.416 -17.527) 23.386 15.961 ( -5.188 -1.301 -10.315) 11.620 16.128 ( 5.168 -5.169 -10.969) 13.181 17.298 ( 10.542 4.350 -3.484) 11.925 18.027 ( 6.492 3.857 -5.427) 9.299 18.296 ( -11.160 -3.599 -8.065) 14.232 18.588 ( -0.321 -3.974 -12.434) 13.058 18.878 ( 0.337 7.174 7.463) 10.357 19.187 ( 5.066 7.106 12.403) 15.166 19.621 ( -1.360 -5.475 3.775) 6.788 20.064 ( 0.999 4.995 6.095) 7.943 20.326 ( -10.316 -2.345 7.863) 13.182 20.603 ( -0.537 -5.390 18.936) 19.696 20.964 ( -2.785 1.114 2.191) 3.714 21.293 ( -2.369 2.647 3.503) 4.989 21.955 ( -1.162 -3.009 1.475) 3.547 22.289 ( -2.056 3.670 3.399) 5.408 22.703 ( 13.846 -2.299 -11.958) 18.439 23.370 ( -3.875 6.102 -15.847) 17.418 24.665 ( -3.671 -1.540 12.365) 12.990 24.706 ( -2.908 -2.043 8.998) 9.674 25.110 ( -6.347 -1.278 14.137) 15.550 25.323 ( 1.047 4.601 6.916) 8.373 25.704 ( -1.910 -0.052 1.374) 2.354 26.158 ( 0.636 5.803 -3.341) 6.726 27.400 ( -0.354 -1.927 1.300) 2.351 27.505 ( -0.331 0.380 0.401) 0.644 28.532 ( 20.444 -11.229 -4.313) 23.720 28.701 ( -10.660 4.802 -18.161) 21.599 ======================= Grid point 132 (67/128) ======================= q-point: (-0.43 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 6.939 0.000 21.147) 22.256 2.120 ( -24.218 -0.000 14.729) 28.345 2.622 ( -18.618 -0.000 23.716) 30.151 2.971 ( 3.707 0.000 7.262) 8.153 3.233 ( -9.399 -0.000 2.206) 9.655 3.472 ( -8.146 -0.000 -4.125) 9.131 3.847 ( -9.120 -0.000 12.442) 15.426 4.166 ( 9.737 0.000 6.726) 11.834 4.211 ( -33.354 -0.000 9.366) 34.644 4.519 ( 10.260 0.000 13.071) 16.616 4.750 ( -0.135 -0.000 -2.184) 2.188 4.967 ( 10.375 0.000 0.697) 10.399 5.041 ( 5.282 0.000 8.525) 10.028 5.448 ( -15.442 -0.000 27.046) 31.144 5.871 ( 3.427 0.000 10.150) 10.713 5.889 ( -0.748 -0.000 1.140) 1.364 6.128 ( -11.079 -0.000 -8.690) 14.081 6.459 ( -6.898 -0.000 30.539) 31.309 6.488 ( 5.157 0.000 -9.691) 10.978 6.970 ( -1.834 -0.000 -8.015) 8.222 7.173 ( -3.439 -0.000 27.454) 27.669 7.352 ( 7.455 0.000 -14.036) 15.892 7.666 ( 5.332 0.000 27.008) 27.529 7.731 ( -4.875 -0.000 -2.727) 5.585 7.796 ( 4.960 0.000 -12.975) 13.891 8.333 ( -2.548 -0.000 -4.480) 5.154 8.705 ( 4.072 0.000 -16.804) 17.290 9.083 ( 2.263 0.000 13.437) 13.627 9.373 ( -11.545 -0.000 6.603) 13.300 9.710 ( 0.957 0.000 -18.556) 18.581 9.906 ( 7.562 0.000 -7.165) 10.417 10.360 ( 4.662 0.000 -0.734) 4.719 10.682 ( -7.772 -0.000 -6.968) 10.438 10.710 ( 13.579 0.000 5.252) 14.559 11.309 ( -4.646 -0.000 15.674) 16.349 11.452 ( -3.216 -0.000 11.720) 12.153 11.487 ( -3.154 -0.000 24.311) 24.514 11.671 ( 8.485 0.000 -10.166) 13.242 12.219 ( 4.287 0.000 -6.036) 7.403 12.353 ( -9.364 -0.000 3.664) 10.055 12.454 ( 8.749 0.000 -2.256) 9.035 13.359 ( -4.421 -0.000 16.455) 17.039 14.990 ( 15.877 0.000 -37.782) 40.983 15.198 ( -6.923 -0.000 -12.303) 14.117 15.623 ( -18.561 -0.000 -14.977) 23.850 16.397 ( 4.641 0.000 -26.248) 26.655 17.322 ( 14.982 0.000 -3.698) 15.431 17.836 ( 9.047 0.000 -5.628) 10.655 18.507 ( 7.955 0.000 -11.334) 13.847 18.545 ( -11.590 -0.000 -11.674) 16.450 18.964 ( 0.948 0.000 2.867) 3.020 19.162 ( 0.523 0.000 1.743) 1.820 19.858 ( -5.668 -0.000 13.934) 15.042 20.280 ( 1.467 0.000 7.406) 7.550 20.342 ( 2.659 0.000 18.377) 18.569 20.361 ( -11.035 -0.000 13.755) 17.634 20.996 ( -8.736 -0.000 5.032) 10.082 21.391 ( 4.441 0.000 5.357) 6.959 21.874 ( -3.267 -0.000 4.154) 5.284 22.373 ( 11.023 0.000 -3.608) 11.598 22.491 ( 0.727 0.000 -0.675) 0.992 23.720 ( -1.523 -0.000 -23.054) 23.104 24.613 ( -5.611 -0.000 4.430) 7.149 24.651 ( -3.283 -0.000 11.198) 11.670 25.339 ( -3.880 -0.000 -0.049) 3.881 25.407 ( 0.463 0.000 3.900) 3.928 25.785 ( -4.471 -0.000 2.549) 5.146 26.727 ( 19.132 0.000 1.179) 19.168 27.214 ( -0.483 -0.000 2.763) 2.805 27.437 ( -0.588 -0.000 8.470) 8.491 27.553 ( 3.561 0.000 0.021) 3.561 28.859 ( -5.252 -0.000 -14.749) 15.657 ======================= Grid point 133 (68/128) ======================= q-point: (-0.29 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -15.481 -8.962 14.550) 23.058 2.249 ( 14.306 -0.536 19.672) 24.330 2.460 ( -29.359 -4.183 9.752) 31.218 3.046 ( 2.394 -1.813 2.765) 4.082 3.129 ( -3.374 3.913 13.597) 14.546 3.427 ( -5.412 -2.934 3.319) 6.994 3.805 ( -9.596 -0.014 16.012) 18.667 4.066 ( -23.342 -19.055 8.882) 31.414 4.339 ( 7.251 -6.667 8.117) 12.764 4.596 ( 4.049 4.529 -2.726) 6.658 4.721 ( 1.739 1.750 6.101) 6.581 5.053 ( 8.740 3.844 -3.282) 10.096 5.138 ( 3.940 1.642 14.384) 15.004 5.350 ( -16.962 -0.251 24.957) 30.177 5.727 ( -8.485 9.203 6.878) 14.283 5.926 ( -3.805 6.723 -10.708) 13.204 6.059 ( 4.569 -6.996 9.895) 12.951 6.445 ( -7.644 3.785 19.809) 21.567 6.573 ( -0.894 -4.573 -0.955) 4.757 6.804 ( -3.758 10.240 4.976) 11.989 7.109 ( -9.005 8.098 10.147) 15.799 7.326 ( -2.248 -4.272 3.254) 5.822 7.655 ( 1.834 3.567 -2.324) 4.635 7.875 ( 11.372 -5.704 10.294) 16.365 8.037 ( 8.696 -12.641 -5.982) 16.469 8.312 ( -0.248 -5.141 -1.333) 5.316 8.814 ( 3.531 -9.646 -15.388) 18.502 9.126 ( 4.112 5.862 10.948) 13.082 9.312 ( -6.122 -4.321 11.110) 13.401 9.668 ( 1.006 -1.556 -17.486) 17.583 9.987 ( 2.073 -4.946 -4.020) 6.702 10.268 ( -6.311 10.249 -6.422) 13.642 10.543 ( -2.806 4.083 -5.418) 7.342 10.855 ( 14.071 6.042 2.867) 15.580 11.228 ( 0.300 11.464 13.158) 17.454 11.364 ( -3.660 5.770 10.760) 12.746 11.545 ( -3.602 1.461 12.099) 12.708 11.719 ( 2.343 -3.851 -6.532) 7.937 12.110 ( -2.261 10.450 -5.401) 11.979 12.358 ( 1.586 -3.132 -2.772) 4.473 12.607 ( 9.538 -4.571 7.846) 13.169 13.390 ( -10.950 -7.147 13.270) 18.630 15.080 ( 13.644 -4.274 -36.111) 38.839 15.165 ( 2.172 -4.536 -10.805) 11.918 15.492 ( -8.089 -10.418 -8.847) 15.882 16.329 ( 0.149 1.905 -28.286) 28.351 17.417 ( 12.851 4.717 -2.348) 13.890 17.984 ( 6.617 -8.449 -6.668) 12.635 18.347 ( -12.266 2.888 -12.440) 17.707 18.519 ( 4.878 3.628 -10.983) 12.553 19.010 ( 2.998 -1.512 4.048) 5.259 19.163 ( 1.250 -0.364 0.341) 1.346 19.770 ( -5.628 8.133 14.070) 17.198 20.270 ( -1.973 4.690 13.722) 14.635 20.307 ( -5.451 1.258 11.972) 13.214 20.478 ( 4.550 -3.255 19.075) 19.878 20.925 ( -8.725 -1.943 3.319) 9.535 21.417 ( 1.941 3.300 3.321) 5.068 21.871 ( -1.679 -1.589 3.065) 3.839 22.419 ( 1.199 4.078 -0.255) 4.259 22.560 ( 9.310 -5.114 -5.366) 11.900 23.569 ( -6.346 4.209 -24.047) 25.224 24.593 ( -3.002 -1.390 5.641) 6.540 24.660 ( -4.193 -1.928 10.264) 11.253 25.261 ( -1.733 7.517 5.713) 9.599 25.425 ( 2.630 0.825 5.235) 5.917 25.734 ( -5.243 0.632 1.389) 5.461 26.599 ( 4.482 24.891 2.650) 25.430 27.295 ( 0.669 -3.620 2.784) 4.616 27.526 ( 4.881 -0.740 1.383) 5.127 27.855 ( 12.124 -28.695 0.921) 31.165 28.740 ( -8.509 -0.369 -15.123) 17.357 ======================= Grid point 134 (69/128) ======================= q-point: (-0.14 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -21.088 -13.533 2.507) 25.182 2.250 ( -11.814 -16.340 5.134) 20.807 2.498 ( 18.856 0.227 17.087) 25.448 3.049 ( -0.872 1.369 5.758) 5.982 3.213 ( 2.750 -4.815 11.544) 12.806 3.443 ( 0.193 1.137 14.178) 14.225 3.750 ( -9.448 -0.691 15.993) 18.588 4.187 ( -12.872 -11.917 3.472) 17.882 4.514 ( -0.778 4.796 -7.875) 9.253 4.603 ( 1.790 -16.883 11.634) 20.581 4.766 ( -0.381 -2.985 9.054) 9.540 4.989 ( 1.953 8.559 -4.956) 10.082 5.158 ( 6.669 6.170 14.323) 16.962 5.245 ( -16.681 0.999 19.723) 25.851 5.523 ( -8.012 4.522 7.401) 11.808 5.820 ( 4.119 4.129 -5.151) 7.781 6.061 ( -3.487 20.545 6.092) 21.711 6.352 ( -7.295 -8.831 4.479) 12.299 6.584 ( 0.142 -1.780 -1.901) 2.608 6.712 ( -4.322 5.643 25.148) 26.133 7.015 ( -13.321 -3.765 18.609) 23.193 7.405 ( -1.418 -4.780 14.948) 15.758 7.572 ( 1.008 6.325 -5.830) 8.661 8.126 ( 6.468 -3.509 22.837) 23.993 8.306 ( 11.322 -13.904 -11.472) 21.286 8.458 ( 3.250 -8.366 -5.778) 10.674 8.818 ( -6.354 2.827 -3.029) 7.585 9.155 ( 2.493 -4.817 -0.720) 5.471 9.440 ( 0.743 -8.187 6.479) 10.466 9.657 ( -2.348 3.699 -7.271) 8.489 9.870 ( -1.610 12.864 -13.865) 18.982 10.143 ( -0.841 -8.451 -7.496) 11.328 10.452 ( -4.000 1.190 -2.564) 4.898 10.792 ( 7.408 16.034 2.104) 17.787 11.104 ( 4.335 10.330 3.431) 11.716 11.252 ( -0.412 9.177 2.147) 9.434 11.502 ( -1.796 2.831 5.628) 6.551 11.752 ( -7.608 0.279 3.633) 8.435 11.933 ( 0.180 0.877 -11.529) 11.564 12.413 ( 5.566 1.011 2.169) 6.059 12.823 ( 12.458 -3.039 12.026) 17.580 13.382 ( -14.683 -4.837 3.249) 15.797 15.121 ( 2.482 -4.858 -25.430) 26.009 15.327 ( 13.194 -10.196 -20.094) 26.112 15.762 ( 9.066 -19.733 1.445) 21.764 16.147 ( -1.732 7.368 -25.542) 26.639 17.452 ( 4.096 2.941 -3.094) 5.916 18.034 ( -15.981 -1.754 -9.883) 18.872 18.214 ( 12.767 4.865 -6.444) 15.106 18.473 ( -0.974 -2.275 -11.734) 11.992 19.011 ( 1.200 5.887 5.480) 8.132 19.303 ( 6.702 -8.722 2.271) 11.232 19.599 ( -6.027 8.712 9.751) 14.399 20.223 ( -1.416 4.189 14.084) 14.762 20.248 ( -3.295 4.442 10.282) 11.675 20.628 ( 2.052 -1.221 21.208) 21.342 20.908 ( -3.352 -4.180 1.544) 5.576 21.356 ( -0.650 5.557 1.498) 5.792 21.906 ( 0.020 -2.866 1.958) 3.471 22.335 ( -3.404 4.588 2.373) 6.186 22.721 ( 6.673 -4.165 -12.886) 15.098 23.330 ( -7.589 3.748 -17.870) 19.773 24.616 ( -3.288 -2.328 9.519) 10.336 24.689 ( -2.290 -2.151 8.559) 9.118 25.136 ( -3.251 6.688 13.227) 15.174 25.438 ( 0.824 5.007 7.331) 8.915 25.686 ( -1.458 -0.597 0.740) 1.741 26.283 ( -3.150 13.767 0.367) 14.128 27.343 ( -1.684 -2.435 2.528) 3.893 27.593 ( 8.916 1.903 1.116) 9.185 28.463 ( 17.487 -22.602 -9.109) 29.993 28.578 ( -9.798 1.092 -14.160) 17.254 ======================= Grid point 140 (70/128) ======================= q-point: (-0.29 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -21.440 -0.000 26.463) 34.058 2.088 ( -35.792 -0.000 8.248) 36.730 2.512 ( 21.161 0.000 15.714) 26.358 3.062 ( 1.767 0.000 3.807) 4.197 3.249 ( 0.925 0.000 26.144) 26.161 3.331 ( -3.719 -0.000 2.285) 4.365 3.623 ( -27.027 -0.000 29.127) 39.735 3.824 ( 0.732 0.000 7.303) 7.340 4.411 ( 8.256 0.000 4.810) 9.555 4.667 ( 0.535 0.000 -6.112) 6.136 4.716 ( -2.461 -0.000 0.426) 2.498 5.206 ( 11.249 0.000 -2.690) 11.566 5.234 ( -15.103 -0.000 20.449) 25.421 5.291 ( 5.648 0.000 23.815) 24.476 5.702 ( -13.538 -0.000 -0.376) 13.543 5.963 ( -0.110 -0.000 -5.455) 5.456 5.964 ( -3.955 -0.000 11.277) 11.950 6.454 ( -0.912 -0.000 -1.547) 1.795 6.614 ( -0.590 -0.000 31.311) 31.317 6.831 ( -3.537 -0.000 -9.376) 10.021 7.148 ( -12.385 -0.000 26.099) 28.888 7.196 ( -5.563 -0.000 -14.528) 15.556 7.725 ( 4.823 0.000 -1.015) 4.929 7.934 ( 7.795 0.000 0.601) 7.819 8.036 ( 17.376 0.000 -17.637) 24.758 8.239 ( -6.398 -0.000 7.366) 9.757 8.752 ( 8.088 0.000 -13.046) 15.350 9.163 ( -12.639 -0.000 13.198) 18.273 9.352 ( 9.770 0.000 13.115) 16.354 9.611 ( 1.247 0.000 -14.869) 14.921 9.944 ( -1.315 -0.000 -0.778) 1.528 10.242 ( -10.056 -0.000 -7.996) 12.848 10.484 ( -4.770 -0.000 -10.977) 11.968 11.093 ( 14.343 0.000 2.125) 14.499 11.317 ( -6.361 -0.000 14.180) 15.541 11.430 ( -2.986 -0.000 5.919) 6.629 11.658 ( 1.029 0.000 -16.555) 16.587 11.667 ( 6.542 0.000 29.230) 29.953 12.231 ( 2.451 0.000 -15.658) 15.849 12.283 ( 1.935 0.000 2.992) 3.563 12.686 ( 6.881 0.000 12.353) 14.140 13.219 ( -16.824 -0.000 14.426) 22.162 15.055 ( 6.705 0.000 -36.778) 37.384 15.184 ( 11.151 0.000 0.658) 11.171 15.325 ( 5.646 0.000 -11.768) 13.052 16.245 ( -0.007 -0.000 -31.737) 31.737 17.501 ( -6.828 -0.000 -4.618) 8.243 17.934 ( 4.232 0.000 -7.594) 8.694 18.224 ( -0.552 -0.000 -12.248) 12.261 18.620 ( 7.781 0.000 -12.649) 14.851 19.014 ( 2.062 0.000 2.089) 2.935 19.182 ( 0.349 0.000 3.788) 3.804 19.806 ( -7.914 -0.000 11.844) 14.245 20.246 ( -6.891 -0.000 12.879) 14.606 20.435 ( 3.671 0.000 16.852) 17.247 20.581 ( 8.204 0.000 23.992) 25.356 20.816 ( -8.167 -0.000 1.533) 8.309 21.470 ( 0.671 0.000 1.265) 1.432 21.858 ( -0.155 -0.000 2.767) 2.772 22.453 ( -4.125 -0.000 0.709) 4.185 22.581 ( 9.361 0.000 -8.194) 12.440 23.432 ( -10.466 -0.000 -24.928) 27.036 24.586 ( 0.555 0.000 4.995) 5.026 24.618 ( -5.786 -0.000 10.975) 12.407 25.395 ( 7.355 0.000 4.147) 8.444 25.445 ( 0.454 0.000 4.346) 4.370 25.679 ( -6.191 -0.000 2.256) 6.589 27.130 ( 16.313 0.000 -3.902) 16.773 27.217 ( -0.842 -0.000 2.351) 2.497 27.460 ( -2.681 -0.000 9.294) 9.673 27.666 ( 7.415 0.000 -0.411) 7.427 28.587 ( -10.253 -0.000 -14.064) 17.404 ======================= Grid point 141 (71/128) ======================= q-point: (-0.14 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -22.835 -8.698 15.425) 28.897 1.847 ( -17.626 -17.576 20.970) 32.548 2.783 ( 17.034 -0.323 15.674) 23.150 3.103 ( 2.649 0.025 0.722) 2.745 3.246 ( 1.131 2.951 12.351) 12.748 3.412 ( -11.032 -9.187 25.854) 29.572 3.622 ( -6.191 -7.464 29.587) 31.136 3.919 ( 1.938 -4.921 11.080) 12.278 4.482 ( -1.182 1.464 -2.480) 3.113 4.603 ( 2.301 0.408 -3.222) 3.980 4.723 ( -1.587 -2.163 -0.111) 2.685 5.116 ( -15.380 1.067 17.390) 23.240 5.180 ( 2.085 8.885 -5.581) 10.697 5.423 ( 8.950 4.308 17.012) 19.699 5.541 ( -3.949 6.843 6.392) 10.163 5.878 ( 0.330 1.419 -1.590) 2.157 6.104 ( -6.279 -12.701 10.732) 17.774 6.389 ( -4.848 15.347 6.679) 17.425 6.558 ( 1.826 4.238 -12.172) 13.018 6.797 ( -5.552 -1.149 19.103) 19.927 6.937 ( -7.240 6.936 9.760) 13.993 7.295 ( -5.668 -9.137 12.877) 16.776 7.728 ( 5.662 6.218 2.472) 8.765 8.141 ( 6.388 -12.298 -2.993) 14.177 8.185 ( 6.361 -6.376 -1.423) 9.119 8.274 ( 2.377 -10.360 -10.787) 15.144 8.784 ( -2.428 0.577 -5.191) 5.759 9.075 ( -7.873 -0.384 7.705) 11.023 9.434 ( -1.683 1.475 8.264) 8.562 9.663 ( 9.240 -3.569 -4.354) 10.820 9.948 ( -1.176 -0.953 -4.125) 4.394 10.009 ( -11.457 6.489 -10.523) 16.856 10.414 ( 0.166 -0.132 -9.134) 9.137 11.123 ( 6.819 11.951 -1.024) 13.798 11.267 ( -5.657 2.349 9.499) 11.302 11.364 ( -1.343 4.223 1.136) 4.575 11.619 ( -2.269 7.321 1.892) 7.895 11.713 ( 8.572 5.886 7.384) 12.754 12.033 ( -0.778 13.504 -6.322) 14.931 12.447 ( 6.448 -5.443 0.549) 8.456 12.895 ( 9.469 -9.737 11.703) 17.929 13.121 ( -18.876 -6.045 11.130) 22.731 15.005 ( 2.553 -2.897 -25.611) 25.900 15.341 ( 19.223 -1.516 -14.707) 24.251 15.615 ( 18.253 -17.469 2.402) 25.379 16.123 ( 0.771 2.982 -32.083) 32.231 17.320 ( -23.296 -3.889 -6.206) 24.420 17.926 ( 0.522 1.777 -7.461) 7.688 18.320 ( 12.643 -4.777 -7.536) 15.475 18.536 ( 3.360 11.760 -12.760) 17.675 19.100 ( 1.825 -1.909 4.793) 5.472 19.209 ( 2.064 -4.653 1.489) 5.303 19.684 ( -10.206 6.431 7.966) 14.456 20.210 ( -5.541 1.586 11.297) 12.683 20.469 ( 3.816 5.565 17.907) 19.136 20.723 ( 0.343 2.271 15.065) 15.239 20.839 ( 7.613 -4.081 11.252) 14.185 21.432 ( -0.937 4.153 -1.162) 4.413 21.883 ( 0.837 -1.513 2.287) 2.867 22.366 ( -4.964 3.961 1.669) 6.566 22.649 ( -0.755 -3.032 -13.717) 14.068 23.213 ( -9.627 1.075 -17.403) 19.917 24.592 ( -3.655 -0.427 10.439) 11.069 24.656 ( 1.250 -3.106 6.987) 7.748 25.319 ( 0.737 11.817 8.698) 14.691 25.534 ( 1.818 2.406 6.118) 6.821 25.650 ( 0.042 -3.390 0.964) 3.524 26.592 ( -7.327 34.123 4.170) 35.149 27.314 ( -0.727 -1.034 3.519) 3.739 27.738 ( 13.725 0.106 -0.143) 13.726 28.096 ( 9.665 -39.850 -11.379) 42.555 28.429 ( -9.793 -0.829 -12.401) 15.823 ======================= Grid point 148 (72/128) ======================= q-point: (-0.14 -0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -19.312 -0.000 25.910) 32.316 1.584 ( -10.834 -0.000 36.735) 38.299 2.865 ( -10.687 -0.000 35.640) 37.208 3.110 ( 0.841 0.000 1.524) 1.741 3.328 ( -0.903 -0.000 11.076) 11.112 3.379 ( 4.953 0.000 21.284) 21.852 3.646 ( 6.773 0.000 6.141) 9.143 4.074 ( 15.228 0.000 33.583) 36.874 4.502 ( -2.019 -0.000 -3.964) 4.449 4.534 ( -7.546 -0.000 -6.631) 10.046 4.714 ( 3.700 0.000 -0.193) 3.705 5.025 ( -13.316 -0.000 19.002) 23.204 5.161 ( -8.222 -0.000 -14.387) 16.570 5.586 ( 4.524 0.000 11.105) 11.991 5.751 ( 11.225 0.000 11.662) 16.186 5.888 ( -2.695 -0.000 -4.536) 5.276 5.900 ( -6.222 -0.000 15.361) 16.574 6.383 ( -4.915 -0.000 -3.048) 5.784 6.707 ( -2.926 -0.000 -10.045) 10.462 6.712 ( -6.179 -0.000 17.280) 18.351 7.078 ( -9.337 -0.000 27.294) 28.847 7.144 ( 10.338 0.000 -6.210) 12.060 7.821 ( 3.440 0.000 -8.624) 9.285 8.038 ( 5.516 0.000 0.642) 5.553 8.189 ( 6.885 0.000 -18.380) 19.627 8.213 ( -1.271 -0.000 14.390) 14.446 8.728 ( -5.370 -0.000 -11.333) 12.541 9.019 ( -11.641 -0.000 21.698) 24.624 9.445 ( -2.966 -0.000 2.099) 3.633 9.720 ( 8.312 0.000 -3.858) 9.164 9.915 ( 3.127 0.000 -1.253) 3.368 9.925 ( -10.286 -0.000 -9.089) 13.726 10.415 ( 8.000 0.000 -15.264) 17.233 11.201 ( -13.414 -0.000 17.364) 21.941 11.282 ( 3.947 0.000 -3.292) 5.140 11.313 ( -7.724 -0.000 -8.778) 11.692 11.591 ( 0.517 0.000 -10.237) 10.250 12.097 ( 12.347 0.000 15.872) 20.109 12.158 ( -0.685 -0.000 -11.079) 11.100 12.465 ( 12.916 0.000 8.319) 15.363 12.852 ( 2.121 0.000 8.682) 8.937 12.910 ( -18.671 -0.000 16.934) 25.206 14.927 ( 3.426 0.000 -22.909) 23.164 15.557 ( 16.799 0.000 -18.173) 24.748 15.698 ( 30.021 0.000 10.503) 31.805 16.085 ( 8.655 0.000 -32.587) 33.717 16.951 ( -28.902 -0.000 -3.598) 29.125 17.916 ( -1.591 -0.000 -8.876) 9.017 18.427 ( 16.074 0.000 -3.782) 16.513 18.652 ( 4.239 0.000 -15.690) 16.253 19.047 ( -1.449 -0.000 -0.646) 1.586 19.221 ( -1.544 -0.000 8.580) 8.717 19.619 ( -13.699 -0.000 4.453) 14.404 20.216 ( -3.670 -0.000 9.956) 10.611 20.506 ( -5.739 -0.000 9.139) 10.792 20.806 ( 4.976 0.000 9.328) 10.572 21.105 ( 25.915 0.000 23.417) 34.928 21.437 ( -2.992 -0.000 -3.692) 4.752 21.888 ( 0.832 0.000 2.258) 2.406 22.351 ( -5.005 -0.000 2.360) 5.533 22.512 ( -13.042 -0.000 -14.697) 19.649 23.080 ( -4.333 -0.000 -11.702) 12.479 24.581 ( -3.685 -0.000 10.980) 11.582 24.690 ( 4.530 0.000 7.832) 9.047 25.458 ( -2.742 -0.000 3.199) 4.214 25.587 ( -2.585 -0.000 3.833) 4.623 25.651 ( 12.412 0.000 2.872) 12.740 27.208 ( -1.093 -0.000 1.816) 2.119 27.223 ( -5.342 -0.000 -14.856) 15.788 27.441 ( -4.398 -0.000 8.872) 9.902 27.909 ( 14.783 0.000 -1.315) 14.841 28.269 ( -10.316 -0.000 -11.620) 15.539 ======================= Grid point 149 (73/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 1.863 0.000 27.393) 27.457 2.485 ( 0.708 0.000 32.069) 32.077 3.058 ( -1.479 -0.000 -2.780) 3.149 3.434 ( 8.192 0.000 2.197) 8.482 3.588 ( -0.325 -0.000 1.640) 1.672 3.704 ( 2.068 0.000 -0.707) 2.186 3.958 ( -5.349 -0.000 -10.073) 11.405 4.231 ( -14.956 -0.000 33.329) 36.531 4.261 ( -3.785 -0.000 -0.953) 3.903 4.545 ( -4.437 -0.000 -13.242) 13.965 4.884 ( 1.184 0.000 4.999) 5.138 4.932 ( -16.841 -0.000 7.920) 18.610 5.311 ( -4.166 -0.000 4.483) 6.119 5.636 ( -2.231 -0.000 -7.181) 7.520 5.769 ( 0.647 0.000 21.497) 21.507 5.949 ( 11.964 0.000 12.859) 17.564 6.232 ( 2.956 0.000 5.404) 6.160 6.466 ( -0.802 -0.000 -4.045) 4.124 6.707 ( -3.441 -0.000 11.978) 12.463 7.145 ( -17.965 -0.000 11.246) 21.194 7.327 ( 14.245 0.000 1.915) 14.373 7.499 ( 18.388 0.000 -11.582) 21.732 7.647 ( -0.415 -0.000 33.879) 33.882 7.693 ( 1.150 0.000 -18.253) 18.289 8.399 ( 0.142 0.000 6.180) 6.182 8.677 ( -14.177 -0.000 24.310) 28.141 8.721 ( 4.976 0.000 18.243) 18.909 9.101 ( -16.471 -0.000 0.561) 16.481 9.367 ( -0.211 -0.000 -27.112) 27.113 9.421 ( -0.758 -0.000 -4.442) 4.506 9.811 ( 0.445 0.000 8.423) 8.435 9.936 ( 5.387 0.000 -25.719) 26.277 10.039 ( 16.153 0.000 -10.251) 19.132 11.011 ( -12.218 -0.000 0.609) 12.233 11.067 ( 5.456 0.000 -2.079) 5.839 11.161 ( -3.204 -0.000 -19.695) 19.954 11.475 ( -5.682 -0.000 12.624) 13.844 11.953 ( -1.392 -0.000 -3.227) 3.514 12.481 ( 1.709 0.000 11.501) 11.627 12.835 ( -7.965 -0.000 -4.498) 9.147 12.931 ( 6.833 0.000 3.167) 7.532 13.084 ( -20.343 -0.000 27.645) 34.323 14.339 ( 8.292 0.000 -32.479) 33.521 15.085 ( 13.946 0.000 -30.861) 33.865 15.986 ( -9.961 -0.000 -0.788) 9.992 16.102 ( 28.149 0.000 -5.236) 28.631 17.236 ( 25.361 0.000 14.526) 29.226 17.539 ( -11.115 -0.000 -4.774) 12.097 18.343 ( 2.764 0.000 -14.062) 14.331 18.395 ( -9.583 -0.000 -19.668) 21.878 18.911 ( 0.459 0.000 9.032) 9.044 19.301 ( -5.524 -0.000 1.386) 5.695 19.625 ( -3.739 -0.000 12.740) 13.278 20.375 ( -4.034 -0.000 9.193) 10.039 20.430 ( 1.903 0.000 -5.747) 6.053 20.949 ( -4.785 -0.000 -9.409) 10.556 21.414 ( 1.352 0.000 10.586) 10.672 21.628 ( -6.859 -0.000 3.142) 7.545 21.968 ( 0.422 0.000 2.908) 2.939 22.195 ( 5.032 0.000 -4.915) 7.034 22.396 ( -2.353 -0.000 5.558) 6.036 22.933 ( 9.807 0.000 -8.848) 13.209 24.858 ( -0.832 -0.000 12.067) 12.096 25.098 ( 4.935 0.000 11.384) 12.407 25.409 ( -4.200 -0.000 0.350) 4.215 25.769 ( 1.243 0.000 9.878) 9.956 25.808 ( 5.333 0.000 -5.608) 7.739 26.550 ( -15.272 -0.000 -11.582) 19.167 27.249 ( -0.444 -0.000 3.270) 3.300 27.574 ( -7.950 -0.000 10.135) 12.881 27.671 ( -8.308 -0.000 -9.848) 12.884 28.215 ( 16.609 0.000 -7.417) 18.189 ======================= Grid point 150 (74/128) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 4.578 -2.079 21.412) 21.994 2.676 ( 1.248 -7.809 24.918) 26.143 3.006 ( -3.681 2.064 -1.719) 4.557 3.486 ( -1.168 11.760 2.168) 12.015 3.513 ( 5.875 -1.068 -1.238) 6.098 3.696 ( -9.979 3.126 -12.225) 16.087 3.794 ( -7.088 0.814 -1.980) 7.405 4.178 ( -2.010 5.185 25.169) 25.776 4.249 ( -0.964 -1.329 -5.565) 5.803 4.435 ( -3.347 -0.388 -1.360) 3.633 4.872 ( -7.951 -3.795 9.085) 12.655 4.974 ( -1.659 -8.335 12.476) 15.095 5.275 ( 1.508 5.378 3.302) 6.489 5.585 ( 0.060 1.503 -4.561) 4.803 5.729 ( -1.851 8.125 -1.556) 8.478 6.026 ( 1.566 2.460 34.653) 34.775 6.282 ( -1.779 9.690 3.598) 10.489 6.474 ( -0.574 -12.122 7.386) 14.206 6.755 ( -10.702 -7.864 12.582) 18.294 7.121 ( -1.932 -9.108 7.807) 12.151 7.464 ( -8.280 5.929 -8.958) 13.563 7.617 ( 8.226 -11.002 1.421) 13.810 7.728 ( 5.883 -0.950 15.122) 16.254 7.852 ( 5.991 -16.124 -7.221) 18.655 8.443 ( 8.173 7.166 15.948) 19.300 8.510 ( -22.606 -1.118 12.769) 25.987 8.818 ( -2.307 -2.469 9.511) 10.093 9.014 ( 6.222 4.633 10.314) 12.906 9.286 ( -2.419 7.353 -17.031) 18.707 9.365 ( -1.936 -6.789 -14.264) 15.915 9.715 ( 3.596 8.682 2.773) 9.798 10.030 ( 4.991 -6.719 -21.487) 23.059 10.228 ( 16.287 -4.127 -12.101) 20.706 10.849 ( -13.124 3.420 4.369) 14.249 11.014 ( -2.951 6.056 -11.751) 13.545 11.114 ( 6.263 2.273 -3.673) 7.608 11.452 ( -1.411 1.993 7.107) 7.515 11.915 ( -2.928 2.163 1.839) 4.078 12.309 ( -8.865 13.635 8.106) 18.171 12.793 ( 5.977 5.257 1.162) 8.044 12.957 ( -5.132 -0.729 1.795) 5.486 13.030 ( -12.892 -6.229 18.110) 23.087 14.432 ( 5.824 -13.623 -30.297) 33.726 15.163 ( 17.506 1.082 -26.905) 32.117 15.844 ( -11.280 2.254 -2.914) 11.867 16.326 ( 26.047 5.896 -6.920) 27.588 17.342 ( -9.405 4.049 1.347) 10.327 17.700 ( 20.734 -13.932 6.667) 25.855 18.113 ( -14.803 4.154 -13.909) 20.733 18.373 ( -0.743 -3.966 -14.863) 15.401 18.998 ( 0.766 -2.557 7.913) 8.351 19.234 ( -5.045 0.274 1.180) 5.189 19.624 ( 1.577 2.933 12.074) 12.525 20.302 ( 0.388 6.752 2.856) 7.342 20.488 ( -0.514 -3.058 -1.735) 3.553 20.855 ( -2.787 0.907 -5.880) 6.570 21.403 ( -4.521 6.425 10.885) 13.424 21.492 ( -9.052 2.815 6.228) 11.342 22.000 ( 0.432 -1.469 2.980) 3.350 22.250 ( 5.084 -1.741 -6.716) 8.601 22.393 ( -1.480 -0.394 3.485) 3.806 23.026 ( 12.436 0.577 -10.717) 16.427 24.893 ( -1.046 -0.672 11.916) 11.981 25.184 ( 0.747 -1.777 11.908) 12.063 25.323 ( -2.342 5.740 -0.011) 6.199 25.782 ( -0.468 5.226 10.637) 11.860 25.834 ( 0.469 -0.942 -6.989) 7.068 26.136 ( -8.383 18.939 -0.121) 20.712 27.386 ( 0.362 -6.976 1.813) 7.217 27.512 ( -6.969 -0.679 -2.378) 7.395 27.727 ( -8.708 -19.964 -3.329) 22.033 28.374 ( 16.005 -0.758 -8.593) 18.182 ======================= Grid point 151 (75/128) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.734 0.870 12.562) 12.613 2.717 ( -6.695 6.592 4.638) 10.478 2.960 ( -4.261 0.293 4.187) 5.981 3.263 ( -4.583 3.157 1.558) 5.779 3.510 ( -2.070 6.135 -1.295) 6.603 3.638 ( 8.500 -5.559 -1.404) 10.253 3.690 ( -3.769 7.251 0.763) 8.208 4.046 ( -2.826 6.784 -4.901) 8.833 4.418 ( 10.477 -7.762 12.147) 17.821 4.497 ( -0.014 -5.526 5.535) 7.821 4.832 ( -9.565 0.537 5.495) 11.044 5.165 ( -0.673 -10.184 12.318) 15.997 5.203 ( 5.791 7.790 -1.910) 9.893 5.535 ( -1.841 2.920 -1.046) 3.607 5.641 ( -2.230 -1.804 7.249) 7.796 6.112 ( -4.796 -1.666 26.206) 26.693 6.156 ( -5.993 5.449 17.572) 19.349 6.594 ( -8.352 -9.126 11.351) 16.789 6.868 ( -0.052 -3.917 10.395) 11.109 7.091 ( -18.464 11.144 -3.912) 21.918 7.323 ( 1.672 -4.501 -3.905) 6.189 7.790 ( -4.468 -4.188 32.523) 33.094 7.858 ( 8.807 -2.283 -1.546) 9.228 8.130 ( -13.155 -18.679 -10.046) 24.957 8.424 ( -1.927 3.689 15.004) 15.571 8.535 ( 5.886 -14.702 2.133) 15.979 8.772 ( -6.429 2.344 -0.784) 6.888 9.051 ( 9.554 11.091 3.893) 15.147 9.153 ( 3.078 1.560 4.629) 5.774 9.455 ( 1.590 -9.441 -8.870) 13.051 9.666 ( 6.128 6.059 1.305) 8.716 10.078 ( 3.015 -3.566 -24.126) 24.573 10.392 ( 13.409 -0.327 -12.769) 18.519 10.663 ( -11.900 4.559 5.965) 14.071 10.843 ( -1.083 7.076 -9.816) 12.148 11.096 ( 1.214 3.778 -3.309) 5.167 11.452 ( 6.506 5.700 7.199) 11.254 11.776 ( -8.401 6.241 5.774) 11.953 12.131 ( -7.601 -0.236 0.269) 7.610 12.690 ( 9.083 15.916 0.378) 18.329 12.969 ( -1.803 -4.845 3.059) 6.006 13.077 ( -9.270 -8.090 10.709) 16.311 14.635 ( 4.410 -14.536 -27.781) 31.662 15.215 ( 11.849 3.609 -20.464) 23.921 15.669 ( -7.601 3.705 -8.445) 11.951 16.460 ( 21.192 6.690 -7.627) 23.495 17.195 ( -10.186 0.274 4.473) 11.129 17.879 ( -12.563 0.693 -10.520) 16.401 18.133 ( 15.559 -10.294 1.334) 18.704 18.367 ( -0.049 -1.136 -10.687) 10.747 19.006 ( -4.042 1.423 7.976) 9.054 19.221 ( -2.611 -2.946 3.237) 5.097 19.677 ( 4.494 -1.547 8.106) 9.397 20.178 ( 3.251 10.901 -4.405) 12.198 20.469 ( -6.197 -0.361 3.750) 7.252 20.876 ( 4.015 -2.966 -0.995) 5.091 21.221 ( -9.703 7.515 13.306) 18.102 21.412 ( -4.189 3.025 5.531) 7.569 22.026 ( 0.457 0.097 2.138) 2.188 22.310 ( 0.430 -3.492 -1.374) 3.777 22.395 ( -1.304 -1.514 -2.825) 3.460 23.097 ( 12.065 2.767 -12.694) 17.730 24.925 ( -2.522 -0.785 11.357) 11.660 25.147 ( -3.833 9.292 9.069) 13.538 25.285 ( -1.892 -4.286 4.196) 6.289 25.579 ( -7.631 11.380 6.165) 15.025 25.837 ( 1.489 1.899 3.735) 4.447 25.972 ( 3.481 2.849 -2.784) 5.290 27.453 ( -3.369 -0.412 0.886) 3.508 27.470 ( 0.306 -3.084 2.231) 3.818 27.942 ( -9.253 -19.630 -10.068) 23.923 28.524 ( 14.338 -0.520 -9.023) 16.949 ======================= Grid point 152 (76/128) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -16.518 6.733 3.728) 18.223 2.726 ( 8.474 1.530 3.949) 9.473 2.858 ( 3.719 7.811 3.504) 9.334 3.290 ( -3.078 1.743 -0.403) 3.560 3.419 ( 2.342 2.804 7.685) 8.509 3.535 ( -0.525 6.115 1.997) 6.455 3.845 ( 6.317 -7.239 1.657) 9.749 3.958 ( -4.765 -5.096 -7.536) 10.269 4.561 ( -1.932 -1.681 -5.400) 5.977 4.674 ( 3.243 -2.133 7.604) 8.537 4.760 ( 0.647 -2.341 18.173) 18.334 5.161 ( 2.536 1.929 -3.519) 4.747 5.276 ( -3.821 -3.071 -3.761) 6.179 5.555 ( 1.798 -4.301 14.295) 15.036 5.725 ( -5.119 -6.799 16.700) 18.743 6.047 ( -3.194 9.290 12.280) 15.726 6.149 ( -6.947 -2.822 16.243) 17.890 6.520 ( -15.518 21.211 7.196) 27.249 6.726 ( -6.950 -10.198 14.701) 19.194 7.007 ( -3.721 1.492 10.042) 10.812 7.315 ( 2.965 0.939 -9.114) 9.630 7.807 ( -7.224 6.063 29.842) 31.297 7.975 ( -7.114 1.704 1.296) 7.429 8.149 ( 1.953 -9.201 -1.166) 9.478 8.494 ( -4.138 -7.308 4.104) 9.347 8.681 ( -5.887 -6.120 2.508) 8.854 8.921 ( -3.220 0.771 18.344) 18.640 8.934 ( 5.408 -8.047 -8.065) 12.612 9.225 ( 10.757 4.248 -3.781) 12.167 9.586 ( 4.249 -3.027 -10.138) 11.402 9.661 ( 6.880 2.472 11.131) 13.317 10.080 ( 1.456 -3.462 -22.755) 23.063 10.416 ( -2.161 2.148 -2.249) 3.787 10.510 ( -0.228 4.748 -4.154) 6.313 10.790 ( 5.016 -3.892 -8.550) 10.649 11.033 ( -0.742 2.443 -0.803) 2.677 11.363 ( -2.487 9.021 4.859) 10.544 11.756 ( 1.756 -5.141 3.608) 6.521 12.019 ( -8.297 4.523 -1.021) 9.505 12.607 ( 10.309 7.096 -1.493) 12.604 13.035 ( -7.067 -8.722 -4.747) 12.188 13.155 ( 2.743 -1.806 13.802) 14.187 14.738 ( 4.764 -2.475 -26.003) 26.551 15.206 ( 3.153 -1.237 -18.443) 18.752 15.514 ( -0.636 6.030 -11.035) 12.591 16.503 ( 14.148 11.432 -2.298) 18.334 17.178 ( -7.127 -8.533 3.705) 11.719 17.750 ( -8.027 -2.117 -8.098) 11.597 18.273 ( 5.515 6.017 0.140) 8.164 18.369 ( 4.802 0.605 -12.968) 13.842 18.978 ( -2.298 -0.473 8.079) 8.413 19.302 ( -3.399 -9.638 5.791) 11.747 19.743 ( -0.337 2.989 1.714) 3.462 20.093 ( 7.939 0.909 -4.153) 9.006 20.432 ( -6.111 -1.142 10.029) 11.799 20.951 ( 1.350 -0.491 0.229) 1.454 21.103 ( -2.834 3.016 13.550) 14.168 21.337 ( -3.559 2.232 3.584) 5.522 22.021 ( 1.089 2.038 1.166) 2.588 22.339 ( -5.127 -1.627 6.264) 8.257 22.402 ( -1.875 -4.447 -9.359) 10.530 23.114 ( 10.117 5.083 -13.705) 17.777 24.932 ( -4.226 -0.263 10.567) 11.384 24.993 ( -3.110 7.872 9.490) 12.716 25.327 ( -4.822 -1.974 1.789) 5.509 25.434 ( -2.334 1.576 11.012) 11.367 25.823 ( 2.136 3.738 4.972) 6.576 25.991 ( 2.261 -1.935 -5.505) 6.258 27.425 ( -2.858 -0.395 1.324) 3.174 27.561 ( 5.724 -2.684 3.793) 7.373 28.049 ( -9.897 -11.793 -12.314) 19.714 28.626 ( 11.639 2.448 -9.896) 15.472 ======================= Grid point 153 (77/128) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -6.924 0.144 14.493) 16.062 2.713 ( 4.165 6.836 0.585) 8.026 2.940 ( 17.339 2.073 5.672) 18.360 3.125 ( -1.774 10.372 5.830) 12.030 3.424 ( -2.069 2.096 4.794) 5.627 3.573 ( -1.094 -9.282 -0.477) 9.359 3.957 ( -2.911 -9.322 -4.891) 10.922 4.064 ( 0.707 -7.319 -3.047) 7.959 4.495 ( -3.675 0.250 -9.944) 10.605 4.658 ( -7.306 3.547 26.627) 27.838 4.943 ( 3.285 -7.907 1.078) 8.630 5.131 ( -1.019 6.554 -0.478) 6.650 5.233 ( -6.597 -4.706 -4.186) 9.121 5.657 ( -6.594 6.388 10.104) 13.652 5.801 ( -1.668 -1.623 19.595) 19.732 5.833 ( -1.100 5.768 6.338) 8.640 6.180 ( -5.048 9.644 32.544) 34.317 6.278 ( 6.577 -5.185 -0.936) 8.427 6.826 ( -9.052 -1.352 10.992) 14.303 6.887 ( -4.639 3.008 6.392) 8.451 7.341 ( 6.910 3.323 1.768) 7.869 7.690 ( -12.348 5.224 22.263) 25.989 7.856 ( -2.486 1.350 3.216) 4.283 8.289 ( 4.647 2.082 -11.339) 12.430 8.487 ( 3.409 6.164 1.113) 7.131 8.697 ( -6.287 2.558 15.913) 17.300 8.826 ( -6.898 0.082 1.377) 7.035 9.168 ( 0.605 -10.196 4.755) 11.266 9.200 ( -1.010 -0.539 0.132) 1.152 9.569 ( -0.374 5.727 -5.370) 7.860 9.800 ( 6.421 -3.952 6.928) 10.239 10.030 ( 0.607 3.693 -17.853) 18.241 10.299 ( -10.871 0.377 -2.072) 11.073 10.612 ( 9.747 -14.242 -10.069) 19.981 10.934 ( 8.986 0.208 -6.778) 11.258 11.071 ( -0.305 -13.349 3.048) 13.696 11.240 ( -4.915 0.637 -3.890) 6.300 11.846 ( -7.259 3.975 4.667) 9.501 11.904 ( 6.342 -4.000 3.373) 8.222 12.622 ( 6.161 3.042 -3.926) 7.914 13.058 ( -14.754 -10.806 -0.369) 18.292 13.271 ( 10.905 2.164 8.236) 13.836 14.704 ( 7.514 3.550 -20.617) 22.229 15.160 ( 3.312 4.555 -20.811) 21.559 15.433 ( 4.993 1.152 -13.220) 14.179 16.392 ( 7.700 16.736 2.406) 18.579 17.261 ( -10.925 -9.120 1.452) 14.305 17.716 ( 0.531 -2.141 -5.844) 6.247 18.206 ( 0.195 5.032 0.229) 5.041 18.326 ( 9.255 6.652 -11.827) 16.425 19.045 ( 1.861 -5.513 4.822) 7.557 19.427 ( -7.284 -8.325 3.449) 11.587 19.615 ( -0.872 7.931 0.282) 7.983 20.230 ( -2.201 -8.688 -1.634) 9.111 20.485 ( 3.171 -5.719 12.366) 13.989 20.906 ( -4.008 3.604 1.229) 5.528 21.132 ( 1.678 -1.206 10.396) 10.600 21.316 ( 0.558 -0.542 2.990) 3.089 22.001 ( 1.945 2.891 1.316) 3.725 22.301 ( -7.766 -1.871 0.559) 8.007 22.420 ( -3.744 -3.590 -1.739) 5.470 23.068 ( 7.161 6.980 -13.495) 16.796 24.897 ( -4.918 2.641 11.285) 12.590 24.927 ( 0.690 2.709 9.335) 9.745 25.296 ( -2.469 -0.553 3.238) 4.109 25.498 ( -2.879 -6.177 10.178) 12.249 25.808 ( 3.638 3.810 3.018) 6.071 26.040 ( -2.740 -6.950 -3.910) 8.432 27.411 ( -1.661 -0.037 2.953) 3.388 27.701 ( 11.113 -1.946 1.487) 11.380 28.029 ( -10.418 -5.331 -12.371) 17.029 28.607 ( 7.389 9.587 -11.894) 16.970 ======================= Grid point 154 (78/128) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -1.234 3.057 25.531) 25.743 2.635 ( 3.474 12.829 14.940) 19.996 3.030 ( -1.619 -0.122 0.992) 1.902 3.131 ( 15.948 -0.772 1.792) 16.067 3.412 ( -2.948 -2.909 4.424) 6.060 3.715 ( 0.448 -7.731 2.761) 8.221 4.030 ( -6.030 -6.106 -8.843) 12.323 4.122 ( -3.988 -4.607 -3.652) 7.104 4.433 ( -4.229 -1.753 -9.354) 10.415 4.611 ( -7.132 2.161 30.012) 30.924 4.962 ( -1.024 7.017 0.233) 7.095 5.095 ( -0.658 -2.975 3.313) 4.501 5.217 ( -9.528 -7.837 -2.487) 12.585 5.511 ( 4.159 4.685 10.657) 12.362 5.826 ( -7.052 -2.184 -0.183) 7.385 5.839 ( -5.752 2.447 22.082) 22.949 6.129 ( 5.351 4.997 13.053) 14.966 6.495 ( 6.213 -2.786 11.277) 13.174 6.656 ( -4.008 6.181 10.007) 12.427 6.951 ( 8.703 -2.438 2.052) 9.268 7.352 ( 3.758 5.007 11.815) 13.371 7.535 ( -13.845 4.320 19.603) 24.385 7.885 ( 2.643 -1.729 -7.057) 7.732 8.033 ( 3.090 24.895 -15.738) 29.614 8.421 ( 2.904 7.482 6.890) 10.578 8.653 ( -6.444 0.639 21.215) 22.181 8.761 ( -3.011 3.726 2.268) 5.300 9.209 ( -9.663 -6.848 7.991) 14.287 9.365 ( -4.063 -15.490 -8.972) 18.356 9.448 ( -1.706 3.254 3.237) 4.897 9.856 ( -4.351 7.144 -10.969) 13.794 9.889 ( 4.963 3.629 1.203) 6.265 10.206 ( 0.221 1.342 -16.258) 16.315 10.946 ( 7.890 -11.667 -19.045) 23.687 10.968 ( 1.434 -6.115 2.369) 6.713 11.181 ( -7.958 -3.940 -1.836) 9.068 11.393 ( 0.128 -18.653 -0.833) 18.672 11.777 ( 2.815 0.892 4.551) 5.425 12.075 ( 3.143 -8.170 9.673) 13.046 12.615 ( 3.210 1.262 -4.107) 5.363 13.055 ( -15.384 -7.763 8.408) 19.173 13.339 ( 5.132 4.077 4.019) 7.688 14.639 ( 9.417 10.683 -18.632) 23.452 15.073 ( 5.254 0.673 -24.049) 24.626 15.499 ( 16.123 -1.226 -13.581) 21.117 16.206 ( 3.799 13.881 1.615) 14.482 17.177 ( -9.494 4.740 6.528) 12.459 17.752 ( 2.591 1.175 -5.801) 6.461 18.175 ( -1.523 -5.094 -2.870) 6.042 18.348 ( 13.730 2.453 -10.109) 17.226 19.184 ( 1.087 -5.507 3.162) 6.443 19.330 ( -2.884 9.584 -2.438) 10.302 19.587 ( -9.054 -6.908 6.644) 13.185 20.278 ( -7.440 -6.472 2.077) 10.077 20.658 ( -1.633 -0.940 2.539) 3.161 20.837 ( 2.494 -2.897 1.792) 4.222 21.241 ( -0.289 -6.828 8.188) 10.666 21.377 ( 6.454 -1.304 5.394) 8.512 21.985 ( 2.448 2.825 1.986) 4.233 22.245 ( -8.082 -2.421 -2.083) 8.690 22.420 ( -3.993 -1.514 3.349) 5.427 22.975 ( 4.607 6.972 -11.972) 14.600 24.853 ( -3.553 1.763 11.555) 12.216 24.947 ( 4.918 2.713 10.398) 11.818 25.328 ( -3.093 -5.755 2.937) 7.163 25.603 ( -0.937 -5.537 8.235) 9.968 25.799 ( 5.310 4.304 0.517) 6.855 26.152 ( -8.925 -17.243 -0.429) 19.420 27.405 ( -0.992 0.452 3.596) 3.758 27.845 ( 8.892 0.932 -3.736) 9.690 27.940 ( -4.437 -2.004 -9.558) 10.727 28.381 ( 0.924 20.035 -12.491) 23.627 ======================= Grid point 155 (79/128) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.199 3.635 29.133) 29.360 2.496 ( -1.608 12.236 28.820) 31.351 3.057 ( 0.207 -2.193 -2.726) 3.504 3.307 ( 12.435 -0.884 1.600) 12.569 3.491 ( -1.172 -8.028 2.647) 8.534 3.764 ( 0.603 4.553 0.806) 4.663 3.991 ( -4.306 -1.559 0.028) 4.579 4.161 ( -7.878 -8.448 9.585) 15.010 4.388 ( -5.836 0.045 -2.855) 6.497 4.602 ( -9.058 -3.192 2.360) 9.890 4.886 ( 1.502 4.047 3.004) 5.259 5.062 ( -9.448 -1.179 7.265) 11.976 5.308 ( -0.892 -6.636 -0.214) 6.699 5.652 ( 2.238 -3.088 29.672) 29.916 5.694 ( -4.388 0.357 -7.228) 8.463 5.802 ( -4.418 1.323 5.609) 7.262 6.206 ( 7.385 -1.709 3.943) 8.544 6.442 ( -1.691 5.403 4.351) 7.140 6.717 ( 3.614 1.791 17.847) 18.297 7.181 ( 12.417 -7.048 0.628) 14.292 7.334 ( 6.544 8.558 3.469) 11.317 7.380 ( -6.135 8.565 19.572) 22.227 7.667 ( 1.444 14.029 0.942) 14.135 7.822 ( 1.652 8.568 -15.610) 17.883 8.393 ( -6.643 -3.744 5.822) 9.594 8.655 ( 3.298 4.669 12.113) 13.394 8.691 ( -6.739 0.546 24.604) 25.516 9.227 ( -16.245 -8.697 1.216) 18.467 9.395 ( -1.822 -3.484 -3.721) 5.413 9.525 ( -1.190 0.807 -18.006) 18.064 9.672 ( -4.067 -3.555 6.513) 8.462 9.924 ( 12.548 2.555 -10.285) 16.425 10.097 ( 3.060 8.211 -18.077) 20.089 11.005 ( 4.564 -1.948 -6.527) 8.199 11.104 ( -7.223 -3.718 -4.349) 9.215 11.180 ( -4.305 -8.941 -12.096) 15.646 11.507 ( -6.430 -1.747 6.117) 9.045 11.916 ( 3.126 -6.399 -0.349) 7.130 12.296 ( 2.194 -11.420 10.881) 15.926 12.699 ( 6.861 -7.173 -0.887) 9.966 13.008 ( -9.490 1.195 11.037) 14.605 13.258 ( -11.316 4.908 11.845) 17.101 14.457 ( 9.130 13.079 -26.752) 31.146 15.066 ( 7.733 -0.665 -30.215) 31.196 15.761 ( 26.445 -5.353 -7.204) 27.926 16.078 ( -2.681 3.731 -0.204) 4.599 17.069 ( 9.235 9.479 14.250) 19.448 17.673 ( -5.130 2.871 -6.169) 8.522 18.283 ( 1.267 -7.918 -8.898) 11.978 18.440 ( 10.292 -0.449 -12.686) 16.342 19.042 ( -8.121 10.618 0.211) 13.369 19.312 ( -1.659 -3.256 2.051) 4.191 19.614 ( -7.907 -4.637 10.223) 13.731 20.320 ( -4.650 -6.275 3.405) 8.520 20.535 ( -4.271 6.463 -0.470) 7.761 20.964 ( -0.394 -5.663 -4.781) 7.421 21.344 ( 0.755 -3.118 7.431) 8.094 21.550 ( 6.228 -6.526 5.833) 10.743 21.974 ( 1.427 2.305 2.427) 3.639 22.194 ( -3.693 -0.793 -2.714) 4.651 22.407 ( -3.256 -0.239 5.521) 6.414 22.903 ( 5.400 3.541 -9.582) 11.555 24.840 ( -1.884 0.933 11.874) 12.059 25.011 ( 6.699 1.954 11.283) 13.267 25.400 ( -4.611 -6.521 1.453) 8.117 25.697 ( 1.629 -2.918 6.710) 7.496 25.792 ( 5.981 3.917 -1.802) 7.373 26.401 ( -12.377 -28.231 -1.879) 30.882 27.377 ( -0.556 4.889 1.581) 5.168 27.729 ( -8.879 5.215 -6.501) 12.178 27.931 ( -4.309 19.710 -5.681) 20.960 28.068 ( 13.215 1.817 -6.411) 14.800 ======================= Grid point 157 (80/128) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 7.209 0.000 17.199) 18.648 2.740 ( 4.130 0.000 26.278) 26.601 2.975 ( -4.322 -0.000 -2.091) 4.802 3.450 ( -21.093 -0.000 -7.985) 22.554 3.532 ( -0.340 -0.000 -5.409) 5.420 3.650 ( 4.585 0.000 3.639) 5.853 3.805 ( 1.864 0.000 10.001) 10.173 4.173 ( -4.242 -0.000 0.819) 4.320 4.293 ( 1.147 0.000 20.162) 20.195 4.363 ( -6.061 -0.000 -11.014) 12.572 4.793 ( -6.154 -0.000 20.698) 21.594 4.924 ( -0.433 -0.000 5.599) 5.616 5.384 ( 6.161 0.000 7.796) 9.936 5.605 ( 3.063 0.000 -3.626) 4.747 5.809 ( -0.820 -0.000 2.239) 2.385 6.253 ( -0.681 -0.000 1.271) 1.442 6.275 ( 0.854 0.000 29.644) 29.657 6.445 ( -25.644 -0.000 18.050) 31.360 6.463 ( 4.679 0.000 -9.144) 10.272 7.029 ( -0.622 -0.000 7.752) 7.777 7.334 ( -15.079 -0.000 -14.559) 20.961 7.618 ( 1.855 0.000 -6.324) 6.590 7.807 ( 18.735 0.000 -20.870) 28.046 7.846 ( -3.516 -0.000 49.568) 49.692 8.248 ( -19.853 -0.000 3.826) 20.219 8.702 ( 7.567 0.000 14.780) 16.605 8.755 ( -10.743 -0.000 13.783) 17.475 9.180 ( 1.703 0.000 -34.802) 34.844 9.227 ( 16.349 0.000 13.763) 21.371 9.307 ( -1.278 -0.000 -8.351) 8.449 9.868 ( 0.980 0.000 1.817) 2.065 9.900 ( 2.202 0.000 -20.688) 20.805 10.342 ( 18.185 0.000 -13.354) 22.561 10.763 ( -11.997 -0.000 9.624) 15.380 11.021 ( 1.289 0.000 -9.481) 9.568 11.215 ( 7.681 0.000 0.506) 7.698 11.464 ( -1.493 -0.000 9.464) 9.581 11.909 ( -0.751 -0.000 0.827) 1.117 12.415 ( -16.980 -0.000 18.615) 25.196 12.577 ( -10.140 -0.000 -12.596) 16.170 13.016 ( -4.734 -0.000 13.066) 13.898 13.024 ( 4.317 0.000 16.075) 16.644 14.273 ( 6.307 0.000 -34.415) 34.988 15.302 ( 21.736 0.000 -28.012) 35.456 15.740 ( -10.059 -0.000 -4.693) 11.100 16.609 ( 19.205 0.000 -11.912) 22.599 17.219 ( -13.637 -0.000 2.211) 13.815 17.755 ( -9.265 -0.000 -1.199) 9.342 17.992 ( 11.011 0.000 -6.036) 12.557 18.286 ( 0.395 0.000 -15.665) 15.670 19.038 ( 1.667 0.000 8.023) 8.195 19.183 ( -4.216 -0.000 0.755) 4.283 19.734 ( 5.299 0.000 14.472) 15.412 20.370 ( -2.487 -0.000 10.869) 11.150 20.460 ( 1.280 0.000 -9.449) 9.535 20.827 ( 1.667 0.000 -3.179) 3.589 21.369 ( -16.682 -0.000 8.103) 18.546 21.465 ( -3.063 -0.000 9.180) 9.678 22.019 ( 2.279 0.000 4.713) 5.235 22.237 ( 0.871 0.000 -8.614) 8.658 22.382 ( -1.939 -0.000 2.694) 3.319 23.156 ( 15.532 0.000 -13.935) 20.867 24.905 ( -2.740 -0.000 10.709) 11.054 25.185 ( -3.609 -0.000 9.379) 10.049 25.353 ( -0.952 -0.000 -0.574) 1.112 25.805 ( -1.077 -0.000 -5.486) 5.591 25.880 ( 1.865 0.000 13.227) 13.357 26.189 ( -10.380 -0.000 -7.435) 12.768 27.281 ( 0.544 0.000 5.416) 5.443 27.471 ( -5.892 -0.000 7.442) 9.492 27.493 ( -3.197 -0.000 -5.048) 5.975 28.498 ( 14.073 0.000 -10.895) 17.798 ======================= Grid point 158 (81/128) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -7.350 5.544 10.402) 13.890 2.837 ( 2.738 5.182 6.056) 8.428 2.917 ( -1.840 -2.802 10.405) 10.931 3.216 ( -10.586 2.119 -0.191) 10.797 3.560 ( 0.889 -5.245 -4.407) 6.908 3.634 ( 2.797 6.821 9.349) 11.906 3.807 ( 3.083 6.189 7.043) 9.870 4.167 ( 1.220 8.439 -12.584) 15.201 4.330 ( -1.693 -14.809 15.003) 21.149 4.437 ( 1.336 -6.237 7.579) 9.906 4.767 ( -5.381 1.874 11.006) 12.394 5.023 ( -2.079 -8.813 10.998) 14.247 5.428 ( 8.248 7.501 0.967) 11.191 5.607 ( 2.633 5.798 -3.604) 7.317 5.697 ( -0.906 6.629 6.613) 9.407 6.088 ( -9.775 2.029 9.478) 13.766 6.293 ( -4.565 6.047 29.816) 30.763 6.470 ( -3.559 -3.033 0.572) 4.710 6.632 ( -0.141 -21.875 4.246) 22.284 7.008 ( -15.662 6.142 0.576) 16.833 7.178 ( -9.211 -5.795 -0.947) 10.924 7.613 ( -13.951 -16.535 -10.462) 24.031 7.883 ( 13.252 4.476 -1.600) 14.079 8.002 ( -1.273 2.486 35.475) 35.585 8.277 ( 3.229 -13.150 0.801) 13.564 8.605 ( -7.340 3.499 12.856) 15.212 8.721 ( -11.120 1.202 2.615) 11.486 9.114 ( 1.936 -0.442 -26.884) 26.957 9.334 ( 5.767 -2.934 -5.307) 8.368 9.430 ( 19.139 4.721 11.247) 22.695 9.770 ( -1.493 3.314 -1.699) 4.012 9.930 ( -3.245 -4.615 -16.404) 17.347 10.516 ( 18.673 -0.786 -14.165) 23.451 10.648 ( -9.181 4.341 11.394) 15.263 10.953 ( 2.519 8.302 -3.872) 9.501 11.232 ( 5.755 7.399 2.317) 9.656 11.552 ( 5.025 -4.604 6.680) 9.543 11.858 ( -3.782 9.580 5.277) 11.573 12.109 ( -10.393 8.379 6.571) 14.880 12.611 ( -14.737 -14.146 -7.679) 21.824 12.938 ( -3.692 6.548 6.040) 9.643 13.142 ( 8.603 0.653 20.796) 22.514 14.351 ( 5.680 -13.866 -31.482) 34.865 15.358 ( 9.210 9.019 -21.303) 24.899 15.640 ( 1.698 -1.038 -14.416) 14.553 16.648 ( 2.164 1.274 -17.159) 17.342 17.126 ( -3.498 3.348 8.623) 9.890 17.603 ( -17.400 -7.506 -6.855) 20.152 18.231 ( 16.865 -3.955 -4.270) 17.841 18.275 ( 2.237 -4.236 -11.409) 12.374 19.037 ( -1.965 2.944 6.828) 7.691 19.164 ( -1.869 -1.276 1.263) 2.591 19.815 ( 6.695 4.493 14.206) 16.334 20.326 ( 0.015 5.950 -0.211) 5.954 20.422 ( -4.317 -0.058 2.195) 4.843 20.900 ( 8.176 -1.871 0.481) 8.401 21.196 ( -15.129 2.090 10.675) 18.634 21.428 ( -4.861 2.308 6.617) 8.529 22.060 ( 2.197 0.558 4.921) 5.418 22.231 ( -1.534 -3.069 -5.771) 6.714 22.361 ( -2.370 0.432 0.087) 2.410 23.249 ( 13.882 2.615 -16.274) 21.550 24.902 ( -5.010 -0.952 9.088) 10.421 25.167 ( -8.218 -1.374 9.232) 12.436 25.301 ( 0.519 5.207 -1.010) 5.329 25.691 ( -5.275 9.338 1.783) 10.872 25.913 ( 2.378 2.470 9.002) 9.633 26.053 ( 0.359 3.322 -3.405) 4.771 27.371 ( -2.882 -4.470 0.670) 5.361 27.458 ( 1.010 -2.657 6.185) 6.807 27.558 ( -4.435 -12.896 -2.246) 13.821 28.612 ( 11.475 -1.331 -12.147) 16.763 ======================= Grid point 159 (82/128) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -14.730 9.863 8.733) 19.762 2.770 ( -4.034 1.854 -0.904) 4.531 3.044 ( 10.775 0.136 7.825) 13.317 3.164 ( -4.215 -4.137 5.365) 7.979 3.608 ( -0.015 2.300 -2.660) 3.516 3.618 ( 0.491 3.171 9.369) 9.903 3.805 ( 6.476 -1.034 0.743) 6.600 3.953 ( -2.123 12.613 -4.430) 13.536 4.494 ( -1.256 -2.282 -6.370) 6.882 4.616 ( -6.073 -8.227 24.596) 26.637 4.785 ( 4.630 -3.808 8.455) 10.365 5.145 ( -2.964 -5.612 3.110) 7.068 5.316 ( 3.323 10.158 -8.686) 13.772 5.572 ( 3.937 -2.130 8.804) 9.877 5.733 ( 5.025 0.406 12.737) 13.699 6.026 ( -9.921 -4.162 6.441) 12.539 6.223 ( -3.322 8.816 15.672) 18.285 6.518 ( -0.205 -3.757 1.320) 3.988 6.692 ( -16.209 7.731 14.652) 23.177 6.918 ( -5.457 -6.101 15.053) 17.135 7.161 ( -10.460 -14.952 -2.626) 18.435 7.754 ( -4.324 -10.784 -17.449) 20.963 7.976 ( -6.841 6.449 22.451) 24.340 8.011 ( 6.988 -5.510 9.829) 13.259 8.381 ( -6.491 -3.593 17.278) 18.803 8.576 ( -11.393 -1.600 9.482) 14.908 8.798 ( 8.983 -15.414 -0.798) 17.858 9.010 ( 1.187 6.851 -15.311) 16.816 9.447 ( 2.707 -7.325 -9.566) 12.349 9.544 ( 14.738 9.256 4.038) 17.866 9.746 ( 0.328 -1.062 5.578) 5.687 9.886 ( -6.021 -4.921 -19.318) 20.824 10.474 ( -8.261 10.018 11.035) 17.041 10.625 ( 10.856 4.129 -17.541) 21.038 10.875 ( 10.394 5.540 1.236) 11.843 11.158 ( 4.863 8.998 0.098) 10.229 11.551 ( -7.419 16.643 9.044) 20.343 11.707 ( 2.258 -4.554 5.873) 7.767 12.026 ( 0.153 2.280 -0.298) 2.305 12.604 ( -11.075 -8.671 -15.845) 21.188 12.840 ( -6.260 1.676 12.138) 13.760 13.308 ( 12.235 0.572 12.456) 17.469 14.570 ( 6.030 -15.465 -26.249) 31.057 15.165 ( -2.459 6.825 -15.309) 16.941 15.644 ( 10.272 5.462 -19.277) 22.516 16.596 ( -6.258 -4.871 -16.086) 17.934 17.064 ( -3.570 2.591 11.015) 11.865 17.595 ( -2.975 -6.529 -4.977) 8.732 18.279 ( -0.407 -3.789 -12.970) 13.518 18.461 ( 12.309 -0.422 -4.394) 13.077 18.987 ( -2.253 1.586 7.732) 8.208 19.176 ( -3.027 -2.841 1.581) 4.442 19.812 ( 1.352 6.420 9.428) 11.486 20.231 ( 3.600 6.152 -5.082) 8.754 20.408 ( -2.201 -0.454 11.957) 12.166 20.966 ( -3.715 1.422 6.725) 7.814 21.125 ( 1.027 -1.691 5.886) 6.210 21.344 ( -5.369 2.735 4.584) 7.571 22.076 ( 1.929 1.394 2.011) 3.116 22.261 ( -3.896 -4.048 2.251) 6.053 22.315 ( -2.039 0.901 -3.699) 4.319 23.269 ( 10.648 4.914 -17.032) 20.679 24.890 ( -5.804 -1.483 8.486) 10.387 25.078 ( -8.628 3.665 8.903) 12.928 25.252 ( -0.161 0.510 0.826) 0.984 25.525 ( -2.698 6.655 7.727) 10.549 25.910 ( 0.496 3.516 7.086) 7.926 26.029 ( 4.398 2.817 -4.792) 7.088 27.384 ( -2.099 -1.832 1.206) 3.036 27.578 ( 5.617 -5.208 5.277) 9.302 27.714 ( -6.440 -13.556 -5.341) 15.930 28.701 ( 8.051 -1.119 -13.032) 15.359 ======================= Grid point 160 (83/128) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -3.205 -0.666 13.742) 14.126 2.716 ( -4.102 -2.030 -1.001) 4.685 3.177 ( 11.510 1.569 7.228) 13.682 3.255 ( -0.561 -7.419 -0.564) 7.461 3.456 ( -5.500 8.765 1.969) 10.534 3.583 ( 7.108 15.377 4.977) 17.656 3.731 ( -9.925 -6.191 -8.501) 14.460 3.979 ( 3.325 -5.728 2.367) 7.033 4.446 ( -1.986 0.825 -8.330) 8.603 4.664 ( -12.012 -1.227 32.111) 34.306 4.871 ( -0.375 -1.064 -9.459) 9.526 5.162 ( -1.108 1.448 2.987) 3.500 5.235 ( 4.858 3.625 -2.980) 6.755 5.682 ( -2.420 0.996 9.378) 9.736 5.805 ( 0.527 1.362 13.167) 13.247 6.044 ( 6.130 4.259 -2.237) 7.792 6.158 ( 2.525 -8.101 8.072) 11.711 6.440 ( -6.488 8.904 25.736) 27.995 6.659 ( -9.225 -7.083 12.074) 16.765 6.905 ( -3.448 0.611 19.974) 20.279 7.335 ( -7.683 -11.407 5.129) 14.679 7.718 ( -2.702 -1.416 -19.407) 19.645 7.846 ( -6.327 8.848 28.042) 30.078 8.205 ( -0.801 -10.031 3.923) 10.800 8.456 ( -4.706 -5.081 6.497) 9.496 8.623 ( -2.990 -7.543 18.286) 20.005 8.842 ( -0.954 6.866 -7.160) 9.966 9.096 ( 6.158 -7.206 2.209) 9.733 9.434 ( -5.952 9.074 3.078) 11.280 9.501 ( 4.089 5.256 -8.124) 10.504 9.866 ( 0.570 -6.155 -15.972) 17.126 9.877 ( 5.242 -7.530 -6.210) 11.079 10.237 ( -10.128 8.351 5.111) 14.087 10.596 ( 7.969 1.510 -11.563) 14.124 10.999 ( 14.041 -1.131 -0.718) 14.105 11.076 ( 3.799 5.803 -5.125) 8.624 11.275 ( -7.647 10.912 8.782) 15.958 11.795 ( -0.732 -2.727 7.242) 7.773 11.992 ( 4.320 3.446 -2.787) 6.189 12.570 ( -6.626 -6.286 -18.422) 20.562 12.816 ( -9.916 -3.534 16.018) 19.167 13.444 ( 10.966 2.166 2.917) 11.552 14.743 ( 10.272 -5.061 -22.523) 25.267 15.069 ( -1.055 -2.077 -15.539) 15.712 15.587 ( 11.047 6.600 -14.442) 19.343 16.505 ( -11.780 -0.020 -11.444) 16.424 17.076 ( -2.452 -3.746 9.888) 10.854 17.677 ( 4.710 -4.147 -3.838) 7.356 18.268 ( 0.893 1.962 -7.355) 7.664 18.489 ( 6.747 5.220 -9.027) 12.420 19.020 ( 1.299 -2.729 7.910) 8.468 19.199 ( -7.229 -6.175 2.977) 9.962 19.729 ( -1.630 5.541 3.346) 6.674 20.162 ( -0.837 3.361 -2.733) 4.412 20.493 ( 4.450 -3.616 11.525) 12.873 20.904 ( -7.066 0.673 8.946) 11.420 21.154 ( -0.318 2.662 1.141) 2.914 21.321 ( 0.632 -2.445 4.692) 5.328 22.086 ( 4.273 1.742 0.567) 4.650 22.214 ( -6.575 1.401 1.227) 6.834 22.330 ( -1.058 -3.426 1.288) 3.810 23.215 ( 6.605 6.946 -16.457) 19.044 24.878 ( -4.890 -0.771 9.276) 10.514 24.992 ( -4.377 0.936 10.154) 11.096 25.258 ( -0.532 -0.506 1.136) 1.353 25.472 ( -2.428 0.557 11.903) 12.161 25.873 ( -1.661 2.129 4.977) 5.662 26.004 ( 3.123 3.440 -6.443) 7.943 27.397 ( -0.952 -1.036 2.493) 2.862 27.768 ( 2.155 -7.845 -3.176) 8.734 27.791 ( 1.272 -5.769 -1.023) 5.995 28.715 ( 3.608 2.618 -14.647) 15.311 ======================= Grid point 161 (84/128) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.038 -3.009 20.752) 21.188 2.751 ( -0.017 -5.716 -1.905) 6.025 3.161 ( -2.010 15.476 11.046) 19.119 3.292 ( -0.683 -2.886 0.835) 3.081 3.361 ( 5.435 4.434 -1.726) 7.224 3.540 ( 1.049 -9.816 0.652) 9.893 3.767 ( -6.747 -10.087 -11.868) 16.974 4.045 ( -1.323 -1.008 1.880) 2.510 4.378 ( -1.987 2.098 -9.681) 10.103 4.631 ( -13.176 1.077 30.192) 32.959 4.895 ( -0.576 -10.224 -11.266) 15.224 5.075 ( -2.623 6.077 1.192) 6.725 5.207 ( 3.200 8.003 7.449) 11.392 5.602 ( -2.615 1.812 1.930) 3.721 5.783 ( -3.852 3.507 4.937) 7.177 5.986 ( 2.146 9.429 14.294) 17.258 6.332 ( -6.035 7.279 27.856) 29.417 6.512 ( 8.905 -13.667 14.399) 21.759 6.673 ( -1.774 0.031 9.230) 9.399 7.004 ( 6.228 -2.670 12.228) 13.980 7.373 ( -8.520 -3.803 10.014) 13.687 7.674 ( -2.525 -2.927 -13.524) 14.066 7.770 ( -1.744 6.575 30.544) 31.292 8.284 ( -3.379 -0.174 6.165) 7.032 8.479 ( -0.271 4.704 -5.351) 7.130 8.709 ( -2.712 -4.848 1.463) 5.745 8.759 ( 1.736 4.124 7.088) 8.382 9.135 ( -9.791 6.206 5.284) 12.739 9.224 ( 2.246 6.790 -1.599) 7.329 9.405 ( -8.682 -0.858 10.290) 13.490 9.849 ( -5.098 0.595 -19.581) 20.242 10.024 ( 11.474 -0.331 -7.834) 13.898 10.122 ( 1.610 -2.839 -12.383) 12.806 10.739 ( 7.578 -11.366 -11.620) 17.934 11.019 ( -3.397 -0.112 -10.326) 10.871 11.098 ( 1.238 6.294 1.399) 6.565 11.180 ( 0.916 -7.397 10.895) 13.201 11.840 ( 3.405 0.710 1.119) 3.654 12.037 ( 3.184 -4.881 5.525) 8.030 12.528 ( -6.620 -4.592 -14.087) 16.228 12.843 ( -8.459 -6.072 16.751) 19.724 13.471 ( 3.664 5.327 -3.292) 7.255 14.836 ( 14.685 4.050 -17.289) 23.042 15.016 ( -0.490 -0.861 -22.446) 22.468 15.659 ( 18.973 -0.079 -9.310) 21.134 16.276 ( -15.108 4.890 -7.527) 17.573 17.160 ( 0.195 -4.025 9.365) 10.195 17.785 ( 5.630 -2.250 -3.864) 7.189 18.192 ( 2.613 6.773 -1.243) 7.365 18.452 ( 4.779 2.084 -12.007) 13.090 19.118 ( -0.526 -4.269 6.033) 7.410 19.223 ( -9.030 -6.275 5.107) 12.125 19.633 ( 1.530 7.588 1.629) 7.911 20.112 ( -4.960 -3.651 -3.165) 6.925 20.625 ( -0.129 -2.913 4.909) 5.709 20.854 ( -0.767 1.595 3.101) 3.571 21.140 ( -4.020 -4.745 8.211) 10.300 21.399 ( 1.393 -3.159 3.829) 5.156 22.103 ( 4.076 5.397 0.072) 6.764 22.147 ( -1.682 -1.979 1.438) 2.969 22.372 ( -1.128 -2.131 3.754) 4.461 23.098 ( 3.202 7.582 -14.424) 16.607 24.871 ( -2.757 0.343 10.777) 11.130 25.021 ( -1.293 -3.367 12.068) 12.596 25.258 ( 0.352 0.704 1.871) 2.030 25.528 ( -3.012 -5.947 12.722) 14.362 25.859 ( -2.915 -2.412 3.664) 5.267 25.950 ( 0.455 2.744 -7.479) 7.980 27.410 ( -0.288 -0.259 3.536) 3.558 27.743 ( -9.454 -2.952 -7.184) 12.236 28.011 ( 16.227 -3.181 -0.989) 16.566 28.574 ( -1.828 10.891 -16.181) 19.590 ======================= Grid point 162 (85/128) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.924 3.290 23.210) 23.460 2.780 ( 0.234 9.531 11.950) 15.287 3.003 ( -2.459 0.071 3.975) 4.675 3.328 ( -4.532 -9.286 1.327) 10.418 3.430 ( 11.401 1.070 -2.301) 11.680 3.747 ( -1.567 -7.118 0.421) 7.300 3.780 ( -7.735 -11.678 -17.031) 22.051 4.061 ( -1.930 -1.991 13.372) 13.656 4.293 ( -2.283 0.246 -11.030) 11.266 4.528 ( -11.012 4.100 17.492) 21.072 4.944 ( -2.131 1.973 1.265) 3.168 5.089 ( -1.937 3.259 8.641) 9.436 5.133 ( 3.127 -5.927 -3.192) 7.423 5.625 ( -1.809 -4.887 -0.724) 5.261 5.658 ( -5.232 4.273 5.481) 8.699 5.953 ( 1.724 6.323 26.675) 27.468 6.217 ( -7.849 2.269 18.772) 20.474 6.639 ( 1.707 9.697 6.659) 11.887 6.772 ( 0.468 -4.395 17.294) 17.850 7.162 ( 6.199 -1.531 4.069) 7.572 7.400 ( -1.227 -3.978 10.644) 11.429 7.655 ( -2.031 0.808 9.955) 10.192 7.766 ( 2.322 6.219 4.815) 8.201 8.137 ( 13.761 24.378 -16.535) 32.513 8.315 ( -9.732 0.645 12.188) 15.611 8.679 ( -7.041 6.066 18.166) 20.405 8.796 ( 0.889 -2.606 8.965) 9.378 8.974 ( -10.982 -2.117 -2.755) 11.519 9.200 ( -3.910 -7.220 -3.858) 9.072 9.457 ( -1.107 -4.891 7.772) 9.249 9.667 ( -3.121 5.832 -13.767) 15.274 10.086 ( 10.871 2.897 -17.680) 20.956 10.177 ( 10.426 1.006 -15.689) 18.864 10.912 ( -7.721 -6.737 -4.695) 11.271 10.956 ( -4.162 -7.911 -10.223) 13.580 11.062 ( 5.740 3.032 -3.325) 7.294 11.357 ( -2.748 -10.667 5.721) 12.412 11.871 ( -0.811 -3.151 3.364) 4.680 12.200 ( 1.657 -5.048 7.823) 9.457 12.558 ( -0.495 -12.287 -6.527) 13.922 12.917 ( -5.318 -4.745 18.162) 19.511 13.319 ( -7.137 10.154 -3.103) 12.793 14.704 ( 6.261 15.773 -23.227) 28.767 15.055 ( 11.717 -3.280 -24.322) 27.196 15.892 ( 10.894 -4.830 -4.162) 12.622 16.060 ( 0.477 1.913 -7.163) 7.429 17.270 ( 3.010 -3.791 8.568) 9.841 17.775 ( 6.945 10.857 -1.664) 12.995 18.162 ( -1.043 -1.937 -3.509) 4.142 18.444 ( 1.563 -0.995 -14.409) 14.528 19.089 ( -8.807 3.091 5.079) 10.626 19.252 ( -2.424 -2.170 4.115) 5.245 19.566 ( 1.204 2.486 5.764) 6.392 20.172 ( -1.535 -8.871 -2.138) 9.253 20.577 ( -4.761 3.484 0.755) 5.947 20.867 ( -0.308 -1.786 -3.141) 3.626 21.269 ( -2.479 -9.660 11.956) 15.569 21.470 ( -2.922 -4.862 4.994) 7.557 22.038 ( -1.724 3.045 1.808) 3.939 22.210 ( 7.933 0.776 -1.900) 8.194 22.395 ( -0.629 -0.401 3.687) 3.762 22.992 ( 4.687 4.249 -11.254) 12.911 24.878 ( -1.179 0.839 11.908) 11.995 25.122 ( 1.430 -2.755 13.900) 14.242 25.268 ( -1.166 -2.467 0.634) 2.801 25.655 ( -2.088 -7.793 11.238) 13.834 25.884 ( 1.576 3.210 -7.389) 8.209 25.937 ( -6.928 -13.001 3.483) 15.138 27.418 ( 0.002 0.822 4.095) 4.177 27.635 ( -8.784 0.604 -6.664) 11.042 28.182 ( 4.483 11.489 -8.024) 14.714 28.247 ( 5.401 9.532 -10.451) 15.141 ======================= Grid point 165 (86/128) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -13.832 -0.000 9.904) 17.013 2.852 ( -6.092 -0.000 -0.579) 6.119 2.946 ( 0.932 0.000 16.254) 16.281 3.184 ( -0.640 -0.000 7.057) 7.086 3.493 ( -1.618 -0.000 -4.424) 4.711 3.749 ( -0.215 -0.000 0.099) 0.236 4.032 ( 10.089 0.000 26.419) 28.280 4.114 ( -8.361 -0.000 12.417) 14.969 4.222 ( 9.038 0.000 -14.152) 16.792 4.443 ( 1.546 0.000 10.931) 11.040 4.808 ( -2.686 -0.000 10.473) 10.812 4.938 ( -1.519 -0.000 5.364) 5.575 5.546 ( 1.318 0.000 -0.226) 1.337 5.714 ( 6.866 0.000 -1.214) 6.972 5.755 ( -13.047 -0.000 9.973) 16.422 6.024 ( -10.765 -0.000 5.861) 12.257 6.228 ( 1.684 0.000 -8.502) 8.667 6.409 ( -4.749 -0.000 23.213) 23.694 6.613 ( 11.160 0.000 -4.790) 12.145 6.956 ( -8.553 -0.000 -10.115) 13.247 6.978 ( -18.736 -0.000 20.008) 27.411 7.323 ( -3.084 -0.000 -1.329) 3.358 8.088 ( -6.321 -0.000 21.707) 22.609 8.120 ( 18.091 0.000 -13.765) 22.732 8.240 ( 8.289 0.000 25.250) 26.575 8.512 ( -20.807 -0.000 -11.257) 23.657 8.528 ( -18.947 -0.000 22.090) 29.102 9.039 ( 5.885 0.000 -32.790) 33.314 9.403 ( 7.897 0.000 -9.961) 12.711 9.704 ( -7.170 -0.000 -5.102) 8.800 9.713 ( 18.537 0.000 8.278) 20.302 9.841 ( -4.391 -0.000 3.413) 5.562 10.650 ( 15.586 0.000 -19.908) 25.283 10.652 ( -5.117 -0.000 13.493) 14.431 11.079 ( 6.835 0.000 0.244) 6.839 11.415 ( 8.825 0.000 5.255) 10.271 11.546 ( 3.065 0.000 9.277) 9.770 11.979 ( 6.818 0.000 2.094) 7.132 12.128 ( -20.015 -0.000 23.451) 30.831 12.250 ( -10.015 -0.000 -18.496) 21.033 12.923 ( -9.922 -0.000 8.191) 12.867 13.325 ( 9.515 0.000 22.203) 24.156 14.190 ( 7.539 0.000 -36.543) 37.313 15.477 ( -9.068 -0.000 -12.130) 15.145 15.592 ( 20.049 0.000 -28.732) 35.036 16.473 ( -17.332 -0.000 -17.616) 24.713 17.292 ( 12.665 0.000 6.449) 14.212 17.296 ( -16.846 -0.000 -2.975) 17.107 18.171 ( 0.209 0.000 -18.013) 18.014 18.396 ( 15.290 0.000 -3.290) 15.640 19.063 ( -2.747 -0.000 5.861) 6.473 19.151 ( 0.055 0.000 1.225) 1.226 19.990 ( 6.969 0.000 16.659) 18.058 20.345 ( -3.540 -0.000 -6.692) 7.571 20.408 ( -0.964 -0.000 12.839) 12.875 20.999 ( 11.119 0.000 1.407) 11.208 21.064 ( -16.137 -0.000 10.685) 19.354 21.408 ( -5.888 -0.000 5.110) 7.796 22.105 ( -0.025 -0.000 9.021) 9.021 22.167 ( -1.330 -0.000 -5.916) 6.063 22.350 ( -0.078 -0.000 -2.127) 2.128 23.349 ( 10.992 0.000 -19.015) 21.963 24.858 ( -5.621 -0.000 6.791) 8.816 25.080 ( -10.253 -0.000 7.488) 12.696 25.351 ( 1.514 0.000 -2.334) 2.782 25.715 ( -7.489 -0.000 -0.443) 7.502 25.988 ( -1.035 -0.000 14.324) 14.362 26.071 ( 5.867 0.000 -5.966) 8.367 27.303 ( -2.378 -0.000 5.788) 6.258 27.451 ( 0.901 0.000 -2.247) 2.421 27.464 ( 0.976 0.000 8.039) 8.098 28.665 ( 8.347 0.000 -14.167) 16.443 ======================= Grid point 166 (87/128) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -12.996 9.846 12.955) 20.825 2.743 ( -7.909 3.138 2.058) 8.754 3.021 ( -1.487 -4.040 8.248) 9.304 3.210 ( 0.597 0.163 11.743) 11.759 3.507 ( -3.562 -4.545 -3.970) 7.008 3.670 ( -4.597 2.986 -2.730) 6.124 3.971 ( 3.019 7.744 9.527) 12.643 4.204 ( 11.555 11.254 2.594) 16.338 4.436 ( 3.481 -5.871 10.533) 12.551 4.499 ( -4.599 -7.377 15.742) 17.983 4.805 ( 3.503 -1.250 4.962) 6.201 5.005 ( -5.015 -7.049 5.330) 10.161 5.485 ( -4.737 11.219 -6.025) 13.587 5.535 ( -4.471 -6.405 4.604) 9.067 5.818 ( 1.715 -2.360 7.017) 7.600 5.942 ( -3.489 4.740 -0.059) 5.886 6.297 ( -1.701 -1.943 6.036) 6.565 6.481 ( 0.231 -7.294 -1.755) 7.506 6.624 ( -0.466 5.053 0.949) 5.163 6.862 ( -13.380 -2.740 8.055) 15.856 6.913 ( 3.878 -1.749 17.802) 18.304 7.483 ( 1.259 -12.668 -4.121) 13.381 8.001 ( -9.853 3.557 7.473) 12.867 8.165 ( 4.301 6.083 2.242) 7.780 8.296 ( -11.855 -4.483 9.009) 15.550 8.413 ( -11.596 -4.790 21.375) 24.785 8.603 ( 3.771 -16.146 8.488) 18.626 9.000 ( 2.445 -0.267 -28.307) 28.413 9.404 ( 4.362 -1.049 -18.548) 19.083 9.668 ( -1.349 1.999 8.921) 9.241 9.754 ( -5.797 1.434 -1.420) 6.138 9.924 ( 16.315 3.743 10.702) 19.868 10.586 ( -3.926 7.895 7.116) 11.330 10.697 ( 4.635 0.705 -16.140) 16.807 11.124 ( 13.083 6.226 0.068) 14.489 11.398 ( 7.213 11.554 2.640) 13.874 11.667 ( -2.812 0.354 9.930) 10.327 11.781 ( -5.310 12.205 10.567) 16.995 12.090 ( 5.696 1.676 -1.942) 6.246 12.256 ( -10.622 -12.565 -6.347) 17.635 12.814 ( -11.292 1.345 8.953) 14.473 13.490 ( 9.961 0.977 15.714) 18.631 14.290 ( 7.399 -14.966 -29.838) 34.191 15.235 ( -4.026 9.802 -14.985) 18.353 15.725 ( 10.870 -0.887 -26.244) 28.420 16.268 ( -17.793 -7.736 -16.551) 25.502 17.113 ( -6.203 3.467 4.631) 8.482 17.508 ( 9.179 -6.199 0.117) 11.076 18.163 ( 2.516 -4.111 -17.185) 17.848 18.530 ( 7.504 -2.095 -6.541) 10.173 19.021 ( -2.587 2.579 5.292) 6.430 19.150 ( -0.447 0.813 0.563) 1.085 20.017 ( 1.818 9.794 15.175) 18.152 20.298 ( 0.349 1.567 -1.331) 2.086 20.444 ( 1.066 0.135 13.320) 13.363 20.922 ( -12.903 1.009 11.514) 17.323 21.153 ( 8.975 -3.236 1.750) 9.700 21.334 ( -6.185 2.590 2.760) 7.251 22.102 ( -2.062 0.595 4.891) 5.342 22.175 ( -1.575 -2.914 -0.036) 3.313 22.343 ( 3.212 2.015 -2.446) 4.512 23.366 ( 7.226 2.389 -20.139) 21.529 24.835 ( -3.992 -1.150 6.329) 7.571 24.991 ( -11.423 -0.910 6.695) 13.271 25.328 ( 2.402 4.015 -0.892) 4.763 25.577 ( -7.889 3.754 2.366) 9.051 25.989 ( -2.642 2.780 11.363) 11.992 26.132 ( 10.221 3.436 -4.118) 11.543 27.326 ( -2.146 -3.245 3.274) 5.085 27.502 ( -0.134 -5.479 -1.469) 5.674 27.566 ( 4.074 -6.308 8.290) 11.186 28.702 ( 4.720 -1.359 -15.192) 15.966 ======================= Grid point 167 (88/128) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -3.377 2.899 13.025) 13.764 2.635 ( -8.027 0.233 4.401) 9.157 3.100 ( -1.600 -6.640 0.896) 6.889 3.237 ( -6.604 -1.047 6.012) 8.992 3.443 ( -8.674 0.224 -0.163) 8.679 3.591 ( -3.113 2.068 -2.135) 4.304 3.979 ( 4.284 -0.149 4.902) 6.512 4.071 ( 13.568 21.484 3.727) 25.682 4.436 ( 1.085 2.153 -2.846) 3.729 4.591 ( -12.946 -2.774 27.154) 30.210 4.839 ( -1.593 2.092 -7.965) 8.388 5.158 ( 0.628 -8.882 12.201) 15.104 5.329 ( 4.754 3.543 -5.530) 8.107 5.727 ( -0.984 4.185 1.379) 4.515 5.795 ( -11.315 -17.701 11.950) 24.170 5.919 ( 6.891 -0.443 7.871) 10.471 6.330 ( 13.137 7.118 -3.683) 15.388 6.441 ( -14.458 -2.756 8.018) 16.760 6.584 ( -5.304 2.858 16.504) 17.569 6.906 ( -1.530 -8.407 7.973) 11.687 7.073 ( -0.826 -5.272 13.663) 14.668 7.546 ( -4.297 -6.335 -17.170) 18.799 7.967 ( -4.233 -2.209 18.614) 19.216 8.115 ( -5.743 1.091 11.981) 13.331 8.304 ( -8.925 -9.175 3.127) 13.176 8.562 ( 1.990 -7.789 25.762) 26.987 8.832 ( -3.000 -4.047 -4.881) 7.014 9.005 ( 4.960 -9.788 -8.956) 14.164 9.389 ( -1.510 3.475 -9.929) 10.627 9.656 ( 5.680 -0.027 -6.683) 8.770 9.682 ( -3.906 -0.235 0.485) 3.943 10.041 ( 15.209 7.880 6.198) 18.216 10.334 ( -10.070 14.199 1.978) 17.519 10.671 ( 4.033 2.147 -7.732) 8.981 11.174 ( 10.154 4.580 -8.249) 13.861 11.243 ( 3.230 13.176 -4.491) 14.290 11.439 ( -5.800 13.131 17.061) 22.296 11.798 ( 1.887 -1.097 4.499) 5.001 12.057 ( -1.882 2.671 -4.992) 5.967 12.342 ( 0.861 -6.831 -9.481) 11.717 12.727 ( -10.695 -1.633 14.063) 17.743 13.587 ( 7.332 2.583 0.464) 7.788 14.571 ( 7.681 -17.861 -18.835) 27.069 15.068 ( 2.392 4.112 -13.136) 13.971 15.689 ( 3.511 1.364 -18.274) 18.658 16.201 ( -14.031 -8.841 -17.888) 24.393 17.080 ( 0.366 -0.399 8.885) 8.901 17.681 ( 8.816 -3.710 -3.251) 10.102 18.225 ( 4.138 -4.663 -13.649) 15.006 18.542 ( -1.790 1.546 -9.403) 9.696 19.015 ( 0.445 -1.635 5.802) 6.045 19.124 ( -1.236 0.232 0.286) 1.290 19.873 ( -1.332 12.421 12.152) 17.428 20.243 ( -0.270 6.327 1.822) 6.590 20.536 ( 4.277 -1.992 11.952) 12.849 20.832 ( -10.632 -1.196 12.837) 16.711 21.214 ( -3.765 5.176 -0.479) 6.419 21.289 ( 3.345 -3.620 2.040) 5.334 22.090 ( -4.509 -1.273 4.582) 6.553 22.209 ( 3.381 -1.193 -2.763) 4.527 22.345 ( 3.876 2.465 1.922) 4.979 23.302 ( 3.210 4.581 -19.814) 20.588 24.847 ( -2.111 -1.454 7.615) 8.035 24.919 ( -9.297 -2.288 6.789) 11.737 25.309 ( 3.686 2.303 2.757) 5.147 25.474 ( -6.603 1.187 5.914) 8.944 25.919 ( -4.188 4.677 7.265) 9.602 26.126 ( 7.247 7.531 -4.329) 11.312 27.371 ( -0.281 -2.663 2.579) 3.718 27.574 ( -3.739 -6.031 -1.919) 7.351 27.799 ( 10.398 -9.874 5.069) 15.209 28.698 ( 0.411 -0.478 -16.016) 16.028 ======================= Grid point 168 (89/128) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 5.605 -7.421 13.004) 15.987 2.606 ( -5.480 -5.497 2.534) 8.165 3.062 ( -21.260 -2.676 -5.436) 22.106 3.231 ( -1.754 -10.721 -5.505) 12.178 3.415 ( 2.204 5.401 12.488) 13.783 3.511 ( -5.196 -0.493 -1.379) 5.399 3.867 ( 9.646 17.516 -3.238) 20.256 4.073 ( 5.019 1.106 6.613) 8.376 4.387 ( 1.373 4.845 -6.634) 8.328 4.582 ( -8.068 -3.243 25.545) 26.984 4.760 ( -1.765 -0.623 -9.572) 9.753 5.182 ( -0.949 6.263 9.881) 11.737 5.406 ( 6.994 3.522 5.686) 9.678 5.571 ( -5.920 2.713 -3.239) 7.273 5.844 ( -2.922 3.433 5.681) 7.252 6.148 ( -4.472 -0.960 10.776) 11.707 6.315 ( -8.945 -1.012 19.971) 21.906 6.411 ( -2.012 -8.444 19.888) 21.699 6.673 ( 5.900 -9.775 5.059) 12.488 7.021 ( -6.906 -7.417 4.079) 10.925 7.129 ( -2.757 -3.361 7.501) 8.670 7.605 ( 6.694 -2.463 -6.330) 9.537 8.000 ( -2.642 2.618 25.262) 25.534 8.117 ( -10.876 -8.311 14.680) 20.072 8.401 ( -1.911 -8.256 -1.377) 8.585 8.736 ( 2.746 1.178 13.434) 13.762 8.815 ( 1.757 -0.747 0.071) 1.910 9.193 ( -2.786 -9.945 8.387) 13.304 9.219 ( -1.015 10.031 -7.708) 12.691 9.587 ( 0.805 16.433 -4.196) 16.979 9.702 ( -0.861 0.882 -13.328) 13.385 9.958 ( -1.001 -2.154 -5.064) 5.594 10.206 ( 9.002 2.030 -2.097) 9.464 10.695 ( 6.091 -1.670 -8.859) 10.880 10.967 ( -7.589 8.494 -9.387) 14.760 11.212 ( 5.297 6.313 -3.149) 8.822 11.283 ( -0.592 7.726 12.990) 15.125 11.841 ( -0.959 -2.048 -8.185) 8.492 12.029 ( 3.844 -2.813 7.240) 8.666 12.364 ( -3.749 -1.172 -10.855) 11.543 12.753 ( -2.889 -4.808 17.075) 17.972 13.558 ( 0.506 5.251 -8.016) 9.596 14.836 ( 6.870 -11.530 -17.327) 21.917 15.015 ( 6.006 3.670 -15.777) 17.275 15.778 ( 13.630 -6.646 -7.828) 17.065 16.054 ( -17.838 -1.829 -13.554) 22.478 17.160 ( 3.744 -1.691 8.813) 9.724 17.797 ( 7.022 -1.954 -4.233) 8.429 18.285 ( 4.105 -0.738 -8.375) 9.356 18.431 ( -5.419 0.777 -12.479) 13.627 19.037 ( -5.128 -1.316 5.937) 7.955 19.191 ( 6.121 -2.679 5.558) 8.692 19.727 ( -1.878 5.787 6.229) 8.707 20.114 ( -1.058 8.672 0.040) 8.737 20.608 ( -2.816 0.043 7.555) 8.062 20.841 ( -2.203 -4.163 11.446) 12.377 21.098 ( -4.506 2.709 2.471) 5.810 21.360 ( -0.168 -2.623 1.598) 3.076 22.065 ( -5.828 -1.303 2.836) 6.611 22.280 ( 11.821 1.886 -4.158) 12.673 22.363 ( 0.952 -0.113 5.152) 5.241 23.171 ( -0.017 5.835 -17.600) 18.542 24.879 ( -0.807 -0.929 9.793) 9.870 24.919 ( -6.219 -5.583 7.907) 11.505 25.343 ( 4.856 1.958 5.211) 7.387 25.435 ( -6.963 -2.770 9.348) 11.981 25.823 ( -4.848 2.541 3.620) 6.562 26.046 ( 3.856 7.465 -5.269) 9.918 27.414 ( 0.813 -1.207 3.189) 3.505 27.586 ( -6.046 -3.288 -2.315) 7.262 28.101 ( 15.586 -7.997 0.029) 17.518 28.600 ( -4.265 4.194 -16.853) 17.883 ======================= Grid point 169 (90/128) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.304 -0.884 15.981) 16.170 2.707 ( -5.295 -8.973 -4.052) 11.179 2.931 ( -13.483 -9.856 0.402) 16.706 3.307 ( 1.708 10.592 9.712) 14.471 3.390 ( -1.528 -13.221 -10.090) 16.702 3.560 ( -2.885 -8.996 2.150) 9.689 3.708 ( 6.016 11.060 -5.135) 13.597 4.079 ( -2.291 2.049 1.538) 3.437 4.353 ( 9.477 4.624 3.863) 11.230 4.581 ( -4.100 4.970 15.261) 16.565 4.819 ( -2.443 -9.945 -5.491) 11.619 5.095 ( 0.670 4.241 7.306) 8.474 5.326 ( 1.691 11.895 5.293) 13.129 5.529 ( -3.737 -2.654 -0.896) 4.670 5.740 ( -2.037 7.837 7.137) 10.794 6.115 ( -1.278 3.049 15.810) 16.152 6.168 ( -19.813 0.500 31.238) 36.995 6.730 ( 3.414 -11.117 13.266) 17.642 6.792 ( -3.807 5.923 12.387) 14.248 7.044 ( -15.711 -16.397 -4.185) 23.092 7.264 ( 9.251 -4.914 -1.729) 10.617 7.689 ( 3.901 -0.308 14.133) 14.665 7.979 ( -0.857 8.858 18.237) 20.292 8.187 ( -9.311 -7.700 15.396) 19.571 8.521 ( 8.178 -2.635 -9.099) 12.514 8.695 ( 1.639 7.716 3.373) 8.579 8.859 ( -0.462 -1.655 3.092) 3.537 8.926 ( -7.410 20.596 4.444) 22.335 9.208 ( -3.353 9.921 1.332) 10.557 9.410 ( 3.853 -7.744 11.204) 14.154 9.635 ( -1.424 1.119 -17.295) 17.389 10.080 ( 7.752 -5.014 -18.424) 20.607 10.291 ( 12.253 0.022 -9.819) 15.702 10.727 ( -9.078 -2.932 -4.042) 10.360 10.811 ( -0.291 -1.334 -10.378) 10.467 11.119 ( -3.000 2.576 -4.395) 5.912 11.285 ( 4.013 -1.397 9.550) 10.453 11.794 ( -5.701 -0.909 -0.917) 5.845 12.240 ( 0.675 3.570 0.091) 3.635 12.316 ( 3.506 -15.991 -0.447) 16.377 12.883 ( 2.095 -3.872 16.055) 16.647 13.374 ( -8.015 9.478 -8.004) 14.770 14.848 ( 0.801 4.799 -24.121) 24.607 15.085 ( 15.285 -2.373 -17.589) 23.423 15.799 ( -14.621 1.211 -7.491) 16.472 16.116 ( 19.392 -9.774 -5.147) 22.318 17.229 ( -0.911 -0.912 6.862) 6.982 17.883 ( 4.639 -2.835 -5.606) 7.809 18.233 ( -1.683 6.053 -4.528) 7.744 18.381 ( 1.173 -1.688 -11.417) 11.601 19.019 ( -6.590 -1.630 8.293) 10.717 19.259 ( 1.988 3.185 8.265) 9.078 19.699 ( 2.619 3.960 2.704) 5.464 20.023 ( 0.402 -3.337 -5.454) 6.406 20.547 ( -7.572 1.335 5.240) 9.304 20.892 ( 2.537 2.162 -0.231) 3.341 21.114 ( -5.118 -7.943 14.040) 16.923 21.392 ( -3.085 -2.929 3.270) 5.366 22.033 ( -3.110 -0.287 1.640) 3.527 22.332 ( 5.110 3.358 1.940) 6.414 22.408 ( 4.194 -0.225 -3.004) 5.164 23.050 ( 2.759 2.765 -13.523) 14.076 24.912 ( -0.996 0.028 11.398) 11.442 25.008 ( -4.059 -8.853 9.047) 13.293 25.350 ( 2.330 5.217 6.664) 8.778 25.476 ( -7.738 -8.500 9.423) 14.863 25.789 ( -2.256 -2.362 2.432) 4.072 25.966 ( 3.183 4.463 -5.709) 7.915 27.446 ( 1.124 0.095 4.061) 4.214 27.539 ( -5.817 -0.243 -2.215) 6.230 28.341 ( -1.505 9.542 -12.092) 15.477 28.366 ( 9.622 -0.171 -8.610) 12.913 ======================= Grid point 173 (91/128) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -9.263 -0.000 16.604) 19.014 2.690 ( -10.684 -0.000 6.329) 12.418 3.010 ( -0.061 -0.000 5.447) 5.447 3.200 ( -7.998 -0.000 11.255) 13.808 3.435 ( -1.607 -0.000 5.281) 5.521 3.596 ( -9.064 -0.000 -5.672) 10.693 4.125 ( 3.347 0.000 10.390) 10.916 4.319 ( -13.135 -0.000 11.030) 17.152 4.486 ( 15.918 0.000 -3.063) 16.211 4.528 ( 7.331 0.000 17.357) 18.842 4.839 ( 0.730 0.000 9.252) 9.280 4.942 ( -1.268 -0.000 5.495) 5.639 5.254 ( -23.509 -0.000 16.804) 28.897 5.607 ( 6.463 0.000 -16.810) 18.010 5.801 ( 3.229 0.000 -6.175) 6.968 5.937 ( -5.201 -0.000 -1.820) 5.510 6.226 ( -2.319 -0.000 -2.849) 3.674 6.537 ( 8.161 0.000 13.870) 16.093 6.692 ( 8.286 0.000 -16.606) 18.558 6.801 ( -10.647 -0.000 32.585) 34.281 6.987 ( 7.761 0.000 -1.551) 7.914 7.442 ( 5.572 0.000 6.583) 8.625 7.891 ( -23.165 -0.000 -16.367) 28.364 7.975 ( -11.151 -0.000 6.792) 13.057 8.276 ( -17.908 -0.000 30.056) 34.987 8.372 ( 10.177 0.000 -12.005) 15.738 8.584 ( 2.487 0.000 35.034) 35.122 8.931 ( 3.342 0.000 -27.782) 27.983 9.377 ( 7.038 0.000 -18.752) 20.030 9.703 ( -8.213 -0.000 7.290) 10.982 9.762 ( 3.416 0.000 14.359) 14.760 10.163 ( 15.342 0.000 8.568) 17.573 10.635 ( -1.674 -0.000 -20.861) 20.928 10.679 ( -0.314 -0.000 10.225) 10.230 11.295 ( 10.426 0.000 -7.092) 12.609 11.634 ( 6.873 0.000 4.336) 8.126 11.641 ( -3.106 -0.000 8.133) 8.706 11.917 ( -10.497 -0.000 25.094) 27.201 11.926 ( -5.610 -0.000 -21.564) 22.282 12.235 ( 13.418 0.000 4.872) 14.275 12.708 ( -13.774 -0.000 7.873) 15.865 13.652 ( 4.929 0.000 24.589) 25.078 14.141 ( 10.540 0.000 -38.242) 39.668 15.207 ( -7.527 -0.000 -11.392) 13.654 15.705 ( 1.765 0.000 -28.459) 28.514 15.964 ( -11.706 -0.000 -18.153) 21.600 17.104 ( 0.348 0.000 1.601) 1.638 17.565 ( 8.493 0.000 -0.874) 8.538 18.133 ( 7.827 0.000 -15.580) 17.436 18.526 ( -0.296 -0.000 -9.843) 9.848 19.028 ( -2.563 -0.000 4.065) 4.806 19.164 ( 0.396 0.000 -0.157) 0.426 20.176 ( -1.304 -0.000 17.915) 17.963 20.314 ( 2.605 0.000 2.887) 3.889 20.511 ( 2.821 0.000 13.992) 14.274 20.822 ( -12.817 -0.000 12.132) 17.648 21.201 ( 0.821 0.000 2.999) 3.109 21.320 ( 0.697 0.000 -0.773) 1.040 22.074 ( -6.924 -0.000 7.306) 10.066 22.161 ( 4.202 0.000 -3.178) 5.268 22.403 ( 5.048 0.000 -0.901) 5.127 23.373 ( 3.438 0.000 -21.904) 22.172 24.818 ( -1.122 -0.000 5.968) 6.073 24.879 ( -11.014 -0.000 5.832) 12.463 25.384 ( 2.708 0.000 -1.827) 3.266 25.494 ( -10.274 -0.000 -0.752) 10.302 26.002 ( -5.525 -0.000 12.013) 13.223 26.317 ( 16.573 0.000 -2.787) 16.805 27.287 ( -1.696 -0.000 4.499) 4.808 27.479 ( 2.439 0.000 -1.450) 2.837 27.567 ( 1.780 0.000 11.071) 11.214 28.673 ( 1.449 0.000 -16.334) 16.398 ======================= Grid point 174 (92/128) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -2.666 7.228 15.378) 17.200 2.576 ( -10.286 1.088 11.349) 15.355 3.034 ( -1.053 -1.003 0.448) 1.521 3.085 ( -18.077 0.363 0.230) 18.082 3.409 ( -4.514 2.626 7.663) 9.274 3.559 ( -1.259 -4.466 4.066) 6.169 4.063 ( -0.234 4.494 5.542) 7.139 4.377 ( -3.996 -4.934 8.663) 10.740 4.496 ( 1.840 7.587 3.976) 8.761 4.623 ( 7.963 6.385 12.923) 16.468 4.833 ( -7.968 1.755 3.432) 8.851 4.981 ( -0.916 -11.446 12.256) 16.794 5.290 ( -5.450 -9.174 13.967) 17.577 5.593 ( 6.909 0.286 -11.112) 13.088 5.781 ( -3.022 4.297 -0.774) 5.310 5.979 ( 7.376 -6.548 2.094) 10.083 6.177 ( -13.482 -5.008 -3.978) 14.922 6.583 ( -0.821 6.956 10.863) 12.926 6.693 ( 6.497 8.305 -0.773) 10.573 6.836 ( 3.852 -1.253 8.732) 9.625 7.075 ( -0.934 -3.843 3.179) 5.074 7.425 ( 1.823 0.714 -6.828) 7.103 7.804 ( -8.330 -13.274 0.596) 15.683 7.996 ( -10.520 -13.093 6.512) 18.013 8.118 ( -12.953 5.136 17.991) 22.756 8.523 ( 3.958 -10.452 1.091) 11.229 8.733 ( -2.152 -3.312 25.138) 25.447 8.944 ( 9.283 -3.264 -15.712) 18.539 9.398 ( 4.853 2.261 -12.913) 13.979 9.644 ( -5.568 0.008 9.602) 11.099 9.802 ( 5.320 4.501 9.051) 11.423 10.305 ( 9.043 3.193 6.119) 11.376 10.455 ( -3.733 11.224 -10.348) 15.716 10.703 ( 1.907 1.118 0.447) 2.255 11.307 ( 5.264 5.264 -14.969) 16.718 11.469 ( -2.400 13.432 4.952) 14.515 11.618 ( -4.286 8.595 9.678) 13.635 11.794 ( -0.520 0.915 -7.541) 7.614 12.009 ( -0.002 -3.996 5.655) 6.924 12.376 ( 8.696 2.750 1.477) 9.239 12.620 ( -8.086 -3.738 11.673) 14.683 13.703 ( 1.581 4.857 7.594) 9.152 14.307 ( 9.690 -17.387 -22.828) 30.287 15.089 ( -1.893 2.208 -8.146) 8.650 15.565 ( -10.853 -3.726 -16.982) 20.496 15.913 ( -1.760 -6.415 -25.891) 26.732 17.145 ( 7.629 1.342 3.957) 8.698 17.686 ( 7.576 -5.719 -6.590) 11.556 18.201 ( 8.946 -1.165 -11.255) 14.424 18.449 ( -9.114 -0.677 -12.024) 15.103 19.018 ( 0.069 -0.428 3.360) 3.387 19.145 ( 0.339 2.378 -0.618) 2.480 20.101 ( -3.584 10.832 16.340) 19.929 20.353 ( 3.734 3.767 6.387) 8.302 20.601 ( 3.576 -0.500 13.252) 13.735 20.739 ( -10.146 -1.076 14.063) 17.374 21.165 ( -8.438 -0.621 1.728) 8.636 21.349 ( 5.958 1.754 -2.087) 6.552 22.023 ( -6.615 -0.756 5.032) 8.346 22.232 ( 7.505 -1.942 -3.014) 8.318 22.439 ( 4.138 1.997 1.287) 4.772 23.302 ( -0.191 2.126 -22.175) 22.278 24.800 ( -8.564 -1.758 5.854) 10.521 24.846 ( 0.151 -1.058 7.054) 7.135 25.374 ( -2.272 1.436 1.472) 3.064 25.420 ( -1.679 -0.410 0.139) 1.734 25.946 ( -6.976 2.815 8.939) 11.684 26.386 ( 13.086 11.819 -2.505) 17.810 27.324 ( -0.123 -3.865 3.555) 5.252 27.504 ( 0.719 -0.830 -0.192) 1.115 27.731 ( 5.644 -11.993 8.114) 15.541 28.623 ( -2.140 -0.715 -16.693) 16.845 ======================= Grid point 175 (93/128) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.022 -4.126 10.549) 12.390 2.530 ( -4.145 0.034 10.830) 11.596 2.769 ( -24.777 1.246 -5.092) 25.326 3.094 ( -0.574 -4.164 -0.396) 4.222 3.383 ( -3.673 -2.089 5.521) 6.952 3.609 ( 1.682 3.037 8.868) 9.524 4.047 ( -0.047 3.171 4.384) 5.410 4.249 ( 2.181 11.215 -5.776) 12.802 4.527 ( -3.400 -0.849 19.411) 19.725 4.616 ( 10.095 6.570 5.157) 13.102 4.749 ( 0.050 4.731 -2.745) 5.470 5.191 ( -8.323 -12.011 9.588) 17.477 5.397 ( -0.793 -4.303 12.468) 13.213 5.640 ( 0.031 3.845 4.405) 5.847 5.713 ( -3.645 -5.870 2.084) 7.217 6.051 ( -13.883 -5.200 6.507) 16.190 6.206 ( -5.369 1.488 17.173) 18.054 6.450 ( 1.728 0.871 -1.678) 2.561 6.567 ( -6.523 1.342 -4.326) 7.941 6.975 ( 13.578 -2.301 2.514) 14.000 7.084 ( -8.337 -3.188 5.490) 10.479 7.632 ( 16.062 -8.388 2.726) 18.324 7.903 ( -15.177 -4.993 19.342) 25.087 7.967 ( -7.408 -5.745 6.689) 11.516 8.196 ( -1.647 -15.169 -5.121) 16.095 8.741 ( 1.259 -9.349 -5.022) 10.687 8.818 ( -1.682 -2.373 27.848) 28.000 9.088 ( 6.079 -4.778 0.877) 7.781 9.313 ( 2.328 6.148 -9.700) 11.717 9.640 ( -2.843 -0.461 8.900) 9.354 9.843 ( 11.557 3.658 -6.910) 13.954 10.035 ( -14.171 18.231 -2.720) 23.250 10.395 ( 11.722 6.980 3.375) 14.054 10.687 ( 0.192 1.132 -6.764) 6.861 11.077 ( -3.290 15.160 -11.053) 19.048 11.375 ( 6.165 5.797 -1.261) 8.556 11.429 ( -5.846 11.834 7.651) 15.257 11.731 ( -2.834 -2.418 -13.615) 14.116 12.080 ( 1.857 0.665 12.075) 12.235 12.333 ( -1.764 2.164 -3.084) 4.160 12.753 ( 7.618 -4.505 13.062) 15.778 13.606 ( -3.342 6.199 -6.570) 9.632 14.629 ( 6.254 -16.451 -14.945) 23.089 15.026 ( -0.150 -0.195 -12.250) 12.252 15.637 ( 2.037 -15.656 -4.356) 16.378 15.859 ( -4.722 -1.799 -22.178) 22.746 17.248 ( 9.670 0.558 5.275) 11.030 17.842 ( 9.960 -3.591 -8.054) 13.303 18.235 ( -7.147 0.673 -9.010) 11.520 18.302 ( -3.522 -2.557 -12.006) 12.771 19.044 ( 0.300 2.565 3.013) 3.968 19.174 ( 5.165 -7.074 -0.302) 8.764 19.898 ( -5.050 14.152 13.362) 20.108 20.301 ( 3.870 10.566 6.396) 12.944 20.597 ( -7.801 1.686 9.968) 12.770 20.804 ( 2.628 -4.470 14.995) 15.867 21.076 ( -7.620 0.578 0.980) 7.704 21.357 ( 1.583 1.575 -1.460) 2.668 21.992 ( -4.752 -1.548 3.226) 5.949 22.352 ( 7.892 -2.737 -3.255) 8.965 22.443 ( 3.496 2.975 2.296) 5.133 23.166 ( -3.026 3.497 -20.090) 20.615 24.796 ( -4.997 -4.614 6.635) 9.502 24.892 ( -0.280 -1.245 9.121) 9.209 25.331 ( -5.513 -0.875 4.055) 6.900 25.455 ( 5.154 0.233 4.444) 6.810 25.829 ( -7.215 4.201 5.081) 9.773 26.252 ( 5.068 14.496 -2.073) 15.495 27.399 ( 0.647 -3.151 3.207) 4.543 27.516 ( -0.402 -0.515 0.295) 0.717 28.076 ( 12.226 -15.130 1.004) 19.478 28.527 ( -5.759 1.014 -16.613) 17.612 ======================= Grid point 176 (94/128) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -15.928 -1.464 -0.636) 16.008 2.553 ( 9.066 -8.206 4.919) 13.181 2.654 ( -2.368 -8.805 8.184) 12.253 3.166 ( -2.445 -8.234 -1.351) 8.695 3.425 ( -2.198 -4.715 4.246) 6.715 3.543 ( 1.965 9.993 5.693) 11.668 3.941 ( 1.953 10.494 2.185) 10.895 4.109 ( -0.823 6.447 -7.043) 9.583 4.577 ( 6.465 2.014 9.142) 11.376 4.646 ( -2.249 -2.350 -11.412) 11.866 4.709 ( 6.042 5.314 20.727) 22.234 5.188 ( -3.418 3.184 4.736) 6.652 5.404 ( -6.882 1.947 -3.289) 7.873 5.572 ( 3.374 6.788 9.858) 12.435 5.830 ( -2.901 -4.664 6.108) 8.214 5.998 ( -19.892 2.224 24.182) 31.391 6.123 ( -10.629 -10.501 32.041) 35.354 6.376 ( -10.219 -7.489 -11.825) 17.331 6.789 ( 7.217 -11.326 9.391) 16.388 6.950 ( -5.901 5.819 5.688) 10.052 7.233 ( 9.481 -6.666 -8.294) 14.252 7.744 ( -7.171 1.026 22.994) 24.108 7.917 ( -9.805 -8.974 19.047) 23.227 8.185 ( 11.151 -4.313 -6.394) 13.559 8.367 ( 2.230 -12.472 -2.950) 13.008 8.769 ( -4.846 -1.384 3.308) 6.028 8.926 ( -4.989 -0.238 27.357) 27.809 9.132 ( -0.133 7.324 -7.871) 10.752 9.322 ( 6.055 -1.602 -10.270) 12.029 9.437 ( -2.674 18.523 -0.916) 18.737 9.677 ( 0.914 4.525 8.414) 9.597 10.017 ( 9.524 -7.039 -14.472) 18.700 10.422 ( 10.026 4.670 -2.940) 11.444 10.590 ( -10.587 2.899 -4.537) 11.878 10.846 ( 3.736 6.246 -12.189) 14.197 11.168 ( -6.518 12.241 1.010) 13.904 11.326 ( -0.806 1.943 -1.312) 2.479 11.762 ( 3.280 -1.537 -3.942) 5.353 12.067 ( -11.952 -3.497 4.074) 13.102 12.380 ( 12.969 -1.739 1.773) 13.205 12.948 ( 9.688 -2.215 12.444) 15.925 13.391 ( -9.983 8.574 -8.081) 15.443 14.767 ( 0.804 -4.462 -21.204) 21.684 15.104 ( 9.284 -7.934 -14.903) 19.268 15.634 ( -10.963 2.143 -16.163) 19.648 16.086 ( 15.326 -17.791 2.425) 23.606 17.309 ( 4.035 5.389 4.310) 7.993 17.886 ( -0.501 4.033 -8.042) 9.011 18.133 ( -4.221 -7.758 -7.063) 11.309 18.338 ( 1.641 -3.776 -9.927) 10.747 19.001 ( -1.112 2.704 4.972) 5.768 19.386 ( 6.826 -3.030 3.919) 8.434 19.689 ( -5.237 3.817 4.798) 8.063 20.158 ( 4.442 13.664 2.207) 14.536 20.506 ( -8.624 1.691 9.266) 12.770 20.939 ( 3.708 -1.310 2.637) 4.735 21.025 ( -4.739 -2.647 12.206) 13.359 21.340 ( -2.033 -0.328 0.842) 2.225 21.990 ( -2.011 -1.883 1.849) 3.318 22.390 ( -2.498 1.619 5.865) 6.577 22.470 ( 6.184 1.626 -8.755) 10.842 23.048 ( 1.037 0.256 -15.129) 15.167 24.871 ( -2.406 -6.520 7.743) 10.405 24.931 ( -2.240 -1.063 11.333) 11.601 25.323 ( -4.688 -3.438 5.214) 7.809 25.489 ( 1.103 5.302 8.872) 10.394 25.748 ( -1.869 -1.364 2.253) 3.230 26.081 ( 1.317 9.321 -3.635) 10.091 27.441 ( -1.987 -1.444 2.523) 3.521 27.527 ( 3.083 0.845 1.575) 3.564 28.337 ( -8.118 4.365 -15.589) 18.110 28.423 ( 13.217 -7.924 -5.600) 16.396 ======================= Grid point 181 (95/128) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 4.359 0.000 15.326) 15.934 2.488 ( -14.403 -0.000 18.557) 23.490 2.848 ( -26.262 -0.000 0.426) 26.266 3.041 ( 1.243 0.000 -0.337) 1.288 3.427 ( -2.872 -0.000 0.628) 2.940 3.509 ( 0.196 0.000 12.324) 12.325 4.071 ( -8.093 -0.000 13.705) 15.916 4.317 ( 7.658 0.000 7.768) 10.908 4.614 ( -9.432 -0.000 16.523) 19.026 4.697 ( -16.065 -0.000 19.967) 25.628 4.810 ( 9.998 0.000 6.630) 11.996 4.914 ( -0.389 -0.000 -4.531) 4.548 5.327 ( 11.743 0.000 14.996) 19.047 5.621 ( 3.355 0.000 -15.059) 15.428 5.832 ( 2.302 0.000 -8.096) 8.417 5.920 ( 4.004 0.000 2.189) 4.564 5.999 ( -12.958 -0.000 -2.605) 13.217 6.604 ( -13.454 -0.000 23.672) 27.228 6.797 ( 1.853 0.000 -12.783) 12.917 6.996 ( -1.105 -0.000 -16.374) 16.412 7.017 ( 9.134 0.000 16.050) 18.467 7.479 ( 1.475 0.000 -15.957) 16.025 7.517 ( 3.970 0.000 -5.936) 7.141 7.845 ( -8.445 -0.000 22.499) 24.032 8.073 ( -16.817 -0.000 21.813) 27.543 8.448 ( 5.956 0.000 -7.835) 9.841 8.780 ( -5.571 -0.000 33.392) 33.854 8.994 ( 15.403 0.000 -20.135) 25.351 9.458 ( 5.432 0.000 -8.720) 10.273 9.612 ( -7.104 -0.000 18.387) 19.712 9.902 ( 2.197 0.000 6.398) 6.764 10.395 ( -3.904 -0.000 6.772) 7.816 10.434 ( -4.525 -0.000 -15.143) 15.805 10.804 ( 11.158 0.000 1.930) 11.324 11.322 ( 1.603 0.000 -23.566) 23.620 11.554 ( -4.929 -0.000 8.441) 9.774 11.649 ( -6.809 -0.000 5.519) 8.764 11.851 ( 9.176 0.000 -19.364) 21.428 11.998 ( 1.043 0.000 22.484) 22.509 12.467 ( -12.222 -0.000 8.649) 14.973 12.593 ( 14.490 0.000 6.562) 15.906 13.794 ( -7.737 -0.000 25.078) 26.244 14.166 ( 14.683 0.000 -38.679) 41.372 15.088 ( 1.763 0.000 1.943) 2.623 15.315 ( -13.737 -0.000 -15.310) 20.570 15.773 ( 0.786 0.000 -32.135) 32.144 17.297 ( 13.909 0.000 1.517) 13.992 17.667 ( 5.916 0.000 -10.183) 11.777 18.267 ( -14.502 -0.000 -13.822) 20.034 18.278 ( 10.023 0.000 -8.434) 13.099 19.023 ( -0.003 -0.000 2.782) 2.782 19.178 ( 1.641 0.000 -0.086) 1.643 20.172 ( -8.081 -0.000 13.946) 16.118 20.485 ( 8.323 0.000 10.099) 13.087 20.632 ( -8.112 -0.000 12.767) 15.126 20.730 ( 3.876 0.000 17.562) 17.985 21.058 ( -10.195 -0.000 0.168) 10.197 21.414 ( 4.072 0.000 -3.385) 5.296 21.966 ( -5.282 -0.000 4.268) 6.791 22.295 ( 8.805 0.000 -3.574) 9.503 22.493 ( 1.841 0.000 2.033) 2.743 23.227 ( -3.144 -0.000 -23.003) 23.217 24.721 ( -5.938 -0.000 5.620) 8.176 24.862 ( -0.874 -0.000 8.440) 8.485 25.335 ( -1.952 -0.000 -0.570) 2.034 25.445 ( 3.146 0.000 0.610) 3.204 25.913 ( -8.377 -0.000 8.312) 11.801 26.679 ( 17.746 0.000 -5.485) 18.574 27.284 ( -1.278 -0.000 3.799) 4.008 27.534 ( 3.678 0.000 -1.874) 4.128 27.661 ( -0.639 -0.000 12.878) 12.894 28.527 ( -4.594 -0.000 -16.661) 17.283 ======================= Grid point 182 (96/128) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -7.778 3.263 17.937) 19.821 2.529 ( -22.835 2.585 4.539) 23.424 2.584 ( 6.382 -1.620 12.708) 14.312 3.057 ( 0.510 -0.829 -1.334) 1.652 3.382 ( -0.397 2.748 6.799) 7.344 3.627 ( 1.706 -5.744 6.636) 8.941 4.095 ( 0.550 -1.193 10.083) 10.168 4.413 ( -3.545 9.120 6.368) 11.675 4.559 ( -11.720 -8.312 17.581) 22.705 4.565 ( 1.339 1.770 15.089) 15.252 4.856 ( -7.099 -2.859 -4.012) 8.640 4.996 ( 8.419 0.492 9.730) 12.876 5.433 ( 2.002 2.021 11.052) 11.412 5.648 ( 7.354 0.460 -8.359) 11.143 5.771 ( -17.056 -4.001 -2.296) 17.669 5.797 ( -1.181 6.645 8.155) 10.585 6.207 ( 9.088 -17.555 2.542) 19.931 6.473 ( -8.967 7.962 11.482) 16.602 6.555 ( -11.234 14.079 -9.019) 20.144 6.922 ( -6.759 -3.733 -5.838) 9.680 7.152 ( 12.478 -1.145 -0.900) 12.563 7.657 ( 3.511 -14.627 -7.744) 16.919 7.697 ( 13.983 -7.989 7.315) 17.687 7.869 ( -10.973 -2.961 19.321) 22.416 7.934 ( -10.471 -3.232 5.402) 12.218 8.592 ( 5.459 -9.696 -6.462) 12.867 8.812 ( -9.134 -1.489 29.793) 31.197 9.133 ( 14.363 -2.675 -12.941) 19.518 9.415 ( 0.528 5.948 -0.695) 6.011 9.633 ( -3.196 -1.547 15.895) 16.287 9.920 ( 0.864 0.055 -2.691) 2.827 10.151 ( -10.970 13.725 -2.181) 17.705 10.421 ( -7.733 -4.528 -3.719) 9.703 10.876 ( 13.927 9.362 -1.557) 16.854 11.202 ( 0.068 7.324 -22.697) 23.849 11.498 ( -5.095 7.504 3.929) 9.884 11.569 ( 2.068 0.630 7.117) 7.438 11.720 ( 1.086 13.446 -9.913) 16.741 12.152 ( 0.557 0.477 17.147) 17.163 12.335 ( -2.450 1.118 0.712) 2.786 12.827 ( 12.050 -6.046 8.909) 16.160 13.656 ( -9.657 9.032 7.192) 15.051 14.379 ( 9.795 -16.982 -23.125) 30.317 15.007 ( -1.197 5.884 -7.630) 9.710 15.412 ( 6.345 -17.311 2.014) 18.547 15.688 ( -2.433 -3.285 -30.999) 31.267 17.407 ( 9.967 3.003 1.510) 10.518 17.791 ( 6.448 -9.693 -10.930) 15.969 18.062 ( -12.735 0.537 -13.815) 18.797 18.316 ( 5.041 3.318 -6.658) 8.986 19.068 ( 2.772 -3.843 1.934) 5.118 19.177 ( 2.894 2.700 0.558) 3.997 20.045 ( -9.791 8.053 10.764) 16.630 20.549 ( 3.659 7.057 10.134) 12.880 20.564 ( -4.796 2.717 13.693) 14.761 20.867 ( 7.014 -1.155 15.050) 16.645 20.962 ( -9.514 -2.460 1.075) 9.885 21.406 ( 1.044 2.738 -4.131) 5.064 21.940 ( -2.907 -0.916 3.363) 4.538 22.387 ( 6.642 -1.235 -3.857) 7.780 22.500 ( 0.265 0.700 2.172) 2.297 23.092 ( -5.198 1.488 -21.033) 21.717 24.718 ( -1.922 -2.739 6.457) 7.272 24.879 ( -3.549 -1.611 9.791) 10.538 25.327 ( 2.176 2.274 0.817) 3.251 25.506 ( 4.801 -2.262 2.883) 6.039 25.818 ( -8.569 2.856 5.762) 10.713 26.602 ( 6.894 21.817 -2.823) 23.054 27.357 ( 0.897 -4.813 2.829) 5.655 27.545 ( 3.970 1.217 -0.032) 4.153 27.893 ( 4.735 -20.009 4.378) 21.023 28.412 ( -6.849 0.034 -15.990) 17.395 ======================= Grid point 183 (97/128) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -16.169 -1.413 9.891) 19.007 2.473 ( 2.317 -8.412 12.744) 15.444 2.744 ( 14.235 0.553 8.361) 16.518 3.065 ( -1.842 -1.752 0.032) 2.543 3.389 ( 0.261 -0.412 6.992) 7.009 3.685 ( 1.040 3.613 3.729) 5.295 4.098 ( 1.770 6.291 2.082) 6.859 4.210 ( -2.386 9.006 -2.820) 9.734 4.575 ( -6.776 -3.123 18.629) 20.068 4.592 ( -2.856 1.478 -4.882) 5.846 4.962 ( 2.914 -6.849 7.318) 10.439 5.043 ( -1.388 -0.290 6.404) 6.559 5.413 ( -6.662 3.417 7.368) 10.504 5.559 ( -11.204 -6.212 -0.232) 12.813 5.743 ( 3.487 5.021 10.575) 12.214 5.837 ( -6.047 -7.986 20.486) 22.804 6.142 ( -8.233 12.463 5.513) 15.921 6.346 ( -0.792 5.699 0.866) 5.818 6.641 ( 4.669 -18.698 6.809) 20.439 6.908 ( -5.008 -2.434 0.546) 5.595 7.265 ( 5.519 -0.780 -5.093) 7.550 7.715 ( -9.912 0.961 21.511) 23.704 7.810 ( -4.885 -2.730 11.744) 13.009 8.109 ( 1.201 -22.161 -6.288) 23.067 8.131 ( 16.735 -14.178 -8.469) 23.512 8.707 ( -4.161 -2.058 6.889) 8.307 8.838 ( -8.392 -4.465 14.752) 17.549 9.222 ( 0.754 5.136 12.845) 13.854 9.399 ( 9.881 -3.855 -14.416) 17.897 9.558 ( -8.380 13.017 -7.075) 17.021 9.832 ( -3.981 6.791 16.293) 18.095 9.965 ( 2.056 -3.509 -9.551) 10.381 10.380 ( -8.950 -3.752 -4.175) 10.565 10.815 ( 11.542 16.243 -0.553) 19.934 10.967 ( 2.022 10.880 -18.191) 21.293 11.307 ( -6.474 8.694 3.844) 11.501 11.418 ( 0.327 17.184 -9.926) 19.847 11.717 ( 4.216 -7.816 0.325) 8.886 12.027 ( -8.108 8.247 13.112) 17.484 12.463 ( 10.359 -4.627 -0.068) 11.346 13.072 ( 11.736 -3.901 10.124) 15.982 13.388 ( -12.937 9.985 -2.075) 16.473 14.618 ( 3.981 -9.824 -19.011) 21.766 15.000 ( 7.451 -6.470 -12.240) 15.722 15.530 ( -2.474 1.464 -24.389) 24.558 15.925 ( 12.952 -22.326 6.216) 26.548 17.431 ( -1.162 2.374 1.135) 2.877 17.812 ( -12.231 -1.060 -10.461) 16.129 18.062 ( 15.242 -3.404 -8.515) 17.788 18.266 ( -1.604 0.492 -5.928) 6.161 19.103 ( 3.124 5.956 3.028) 7.376 19.294 ( 5.428 -12.414 -1.858) 13.676 19.795 ( -10.783 12.375 8.068) 18.289 20.421 ( -4.917 8.960 4.911) 11.339 20.523 ( 2.901 8.074 13.296) 15.824 20.899 ( -5.622 -3.600 -1.986) 6.965 21.041 ( 6.412 -0.916 16.499) 17.725 21.345 ( -1.103 2.699 -1.878) 3.468 21.952 ( -0.645 -1.800 2.403) 3.071 22.397 ( -3.140 1.843 1.172) 3.825 22.501 ( -0.247 0.803 -4.517) 4.595 22.988 ( -0.015 -2.019 -15.292) 15.425 24.799 ( 0.844 -4.602 8.232) 9.469 24.899 ( -4.683 -2.386 10.399) 11.652 25.311 ( 1.039 2.581 3.848) 4.749 25.597 ( 1.637 2.846 7.610) 8.288 25.714 ( -2.468 -0.869 1.285) 2.915 26.281 ( -2.065 18.113 -0.877) 18.251 27.410 ( -1.348 -1.271 3.475) 3.937 27.605 ( 8.428 0.282 0.081) 8.433 28.217 ( -5.969 -4.354 -12.971) 14.928 28.341 ( 5.715 -12.501 -7.913) 15.861 ======================= Grid point 189 (98/128) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -23.300 -0.000 14.022) 27.194 2.337 ( -12.774 -0.000 28.889) 31.587 2.749 ( 16.805 0.000 8.216) 18.706 3.057 ( 1.562 0.000 -3.217) 3.577 3.478 ( 2.648 0.000 9.768) 10.121 3.577 ( 2.544 0.000 2.732) 3.733 4.080 ( -4.683 -0.000 12.689) 13.525 4.443 ( -13.736 -0.000 32.685) 35.454 4.520 ( 4.195 0.000 6.181) 7.470 4.691 ( 1.169 0.000 19.659) 19.694 4.694 ( -7.399 -0.000 -3.806) 8.320 5.104 ( 2.170 0.000 -6.651) 6.996 5.420 ( -3.411 -0.000 -3.956) 5.224 5.643 ( 0.293 0.000 -2.229) 2.248 5.801 ( 3.903 0.000 22.221) 22.562 5.901 ( -2.035 -0.000 -4.264) 4.725 5.983 ( 0.559 0.000 -3.530) 3.574 6.454 ( -7.044 -0.000 10.660) 12.777 6.669 ( -2.586 -0.000 -6.717) 7.197 6.848 ( 1.267 0.000 -15.475) 15.527 7.053 ( -5.303 -0.000 1.919) 5.639 7.646 ( 15.976 0.000 -18.652) 24.559 7.711 ( -11.507 -0.000 10.463) 15.553 7.795 ( -3.413 -0.000 17.295) 17.629 7.916 ( 5.161 0.000 16.409) 17.202 8.558 ( 6.911 0.000 -7.720) 10.361 8.783 ( -12.149 -0.000 31.187) 33.470 9.220 ( 15.054 0.000 -18.802) 24.086 9.477 ( 1.336 0.000 -4.458) 4.654 9.628 ( -6.137 -0.000 28.220) 28.880 9.902 ( -1.475 -0.000 -6.149) 6.323 10.116 ( -18.882 -0.000 -1.248) 18.924 10.250 ( -6.040 -0.000 -9.057) 10.887 11.100 ( 11.488 0.000 -1.269) 11.558 11.161 ( 0.674 0.000 -28.342) 28.350 11.519 ( -6.481 -0.000 -0.568) 6.505 11.567 ( -1.834 -0.000 10.790) 10.944 11.924 ( 6.611 0.000 -12.190) 13.868 12.246 ( 6.795 0.000 24.938) 25.847 12.322 ( -2.294 -0.000 2.045) 3.074 12.884 ( 7.248 0.000 5.649) 9.190 13.658 ( -18.432 -0.000 26.481) 32.264 14.257 ( 15.248 0.000 -37.672) 40.641 15.101 ( 3.275 0.000 -11.200) 11.669 15.358 ( 17.561 0.000 13.825) 22.350 15.535 ( -0.711 -0.000 -33.642) 33.649 17.432 ( -13.934 -0.000 -1.312) 13.996 17.723 ( 5.407 0.000 -11.659) 12.852 17.991 ( 8.915 0.000 -9.996) 13.394 18.382 ( 4.042 0.000 -8.355) 9.281 19.054 ( 0.906 0.000 1.854) 2.063 19.252 ( 4.217 0.000 1.895) 4.624 20.007 ( -13.064 -0.000 7.411) 15.020 20.523 ( -8.570 -0.000 13.223) 15.757 20.751 ( 3.338 0.000 10.052) 10.591 20.817 ( -5.571 -0.000 -0.859) 5.636 21.027 ( 11.720 0.000 17.848) 21.352 21.414 ( -0.846 -0.000 -6.057) 6.116 21.923 ( -0.982 -0.000 3.284) 3.427 22.426 ( 3.863 0.000 -6.250) 7.347 22.495 ( -3.268 -0.000 4.270) 5.377 22.974 ( -5.544 -0.000 -19.071) 19.861 24.718 ( 1.995 0.000 7.160) 7.433 24.846 ( -5.205 -0.000 10.503) 11.722 25.431 ( 9.384 0.000 -0.507) 9.398 25.521 ( 2.061 0.000 3.504) 4.065 25.767 ( -8.158 -0.000 5.156) 9.651 26.950 ( 10.214 0.000 -12.101) 15.835 27.274 ( -1.668 -0.000 3.059) 3.484 27.632 ( 7.524 0.000 -2.738) 8.006 27.698 ( -3.874 -0.000 13.344) 13.895 28.280 ( -7.971 -0.000 -15.255) 17.212 ======================= Grid point 190 (99/128) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -11.365 -0.520 22.852) 25.527 2.393 ( -5.961 -8.347 27.166) 29.038 2.956 ( 17.270 0.807 4.568) 17.882 3.057 ( 1.269 0.995 -3.414) 3.776 3.459 ( 1.189 4.932 8.050) 9.516 3.707 ( 2.613 -4.827 3.407) 6.460 4.100 ( -6.180 -4.562 5.424) 9.404 4.303 ( -7.766 9.487 5.443) 13.414 4.508 ( -7.874 -0.504 17.012) 18.753 4.639 ( 2.120 6.227 -3.846) 7.620 4.837 ( 3.552 -4.057 17.281) 18.102 5.063 ( -5.965 -6.021 3.043) 9.005 5.389 ( -8.821 -1.250 1.300) 9.003 5.543 ( 2.443 15.674 -0.990) 15.894 5.809 ( 2.621 -1.752 7.443) 8.083 5.846 ( -2.168 0.478 14.260) 14.432 6.169 ( -10.220 -3.439 -5.535) 12.121 6.448 ( 1.392 -0.004 3.827) 4.072 6.489 ( 5.460 1.621 9.317) 10.920 6.869 ( 7.449 -0.936 -4.749) 8.883 7.194 ( -1.903 -10.598 4.790) 11.785 7.667 ( -15.816 1.193 9.973) 18.736 7.723 ( -7.304 -14.279 1.419) 16.102 7.794 ( 10.843 -5.155 -13.123) 17.787 8.168 ( 15.566 -4.655 14.955) 22.082 8.641 ( 0.211 -5.063 -2.297) 5.563 8.748 ( -11.484 -0.814 25.055) 27.573 9.339 ( 10.543 -2.913 -10.302) 15.025 9.394 ( -3.373 7.605 3.127) 8.887 9.672 ( -0.729 6.078 1.695) 6.352 9.790 ( -10.662 -1.156 1.535) 10.834 9.915 ( -7.965 0.890 -1.058) 8.084 10.202 ( -4.812 -5.212 -10.909) 13.013 11.024 ( 1.882 5.759 -16.148) 17.247 11.149 ( 5.652 7.430 -8.631) 12.714 11.357 ( -6.596 7.637 -2.162) 10.320 11.602 ( -3.833 -0.443 3.593) 5.273 11.798 ( 7.176 15.089 -1.815) 16.807 12.186 ( -1.378 11.609 14.265) 18.443 12.483 ( 10.331 -4.908 2.515) 11.711 13.067 ( 3.364 -10.218 5.755) 12.200 13.433 ( -15.272 10.459 15.476) 24.127 14.420 ( 9.120 -13.083 -25.903) 30.419 15.064 ( 10.746 4.800 -14.830) 18.933 15.461 ( 5.178 -0.044 -25.986) 26.497 15.789 ( 18.591 -16.945 10.787) 27.370 17.248 ( -21.460 -5.334 0.066) 22.113 17.740 ( 2.775 -0.419 -9.383) 9.794 18.155 ( 17.572 -2.873 -8.308) 19.648 18.321 ( 0.507 7.300 -7.141) 10.225 19.131 ( 0.954 -8.043 -0.133) 8.100 19.267 ( 3.697 3.944 1.995) 5.762 19.828 ( -14.141 6.191 6.554) 16.771 20.435 ( -8.505 4.119 8.993) 13.045 20.688 ( -8.087 -1.978 0.694) 8.354 20.853 ( 7.222 5.646 6.295) 11.120 21.210 ( 12.748 2.104 15.271) 20.004 21.362 ( -1.540 1.875 -3.872) 4.570 21.937 ( 0.273 -0.966 2.855) 3.026 22.383 ( -5.374 2.374 -4.598) 7.460 22.471 ( -4.285 -0.196 2.009) 4.737 22.900 ( 0.372 -2.733 -13.514) 13.793 24.800 ( 3.637 -1.993 9.254) 10.141 24.846 ( -3.482 -2.254 10.330) 11.131 25.427 ( 2.772 6.987 2.573) 7.945 25.646 ( 6.254 -5.621 2.355) 8.733 25.683 ( -5.116 2.705 4.121) 7.105 26.612 ( -4.365 28.439 -2.838) 28.912 27.380 ( -0.405 -3.819 2.025) 4.342 27.712 ( 11.588 -0.546 -2.250) 11.818 27.942 ( -2.273 -21.227 -2.090) 21.451 28.159 ( -6.418 -3.947 -12.747) 14.807 ======================= Grid point 197 (100/128) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -6.175 -0.000 30.035) 30.663 2.329 ( -6.341 -0.000 33.399) 33.996 3.073 ( 1.508 0.000 -3.312) 3.639 3.155 ( 15.202 0.000 3.284) 15.552 3.579 ( -0.007 -0.000 7.811) 7.811 3.656 ( 3.363 0.000 -0.643) 3.424 4.015 ( -6.128 -0.000 12.035) 13.505 4.368 ( -10.318 -0.000 18.822) 21.464 4.395 ( -7.539 -0.000 -4.450) 8.754 4.726 ( 0.298 0.000 -1.793) 1.818 4.858 ( -5.836 -0.000 -9.917) 11.507 5.039 ( 8.201 0.000 32.258) 33.284 5.311 ( -2.046 -0.000 1.169) 2.357 5.764 ( -19.593 -0.000 13.825) 23.980 5.770 ( -4.746 -0.000 -8.029) 9.327 5.864 ( -2.956 -0.000 -2.564) 3.913 5.966 ( 16.290 0.000 7.875) 18.094 6.556 ( 8.094 0.000 8.103) 11.453 6.565 ( -5.022 -0.000 -1.937) 5.383 7.016 ( 20.715 0.000 -5.017) 21.314 7.066 ( 4.707 0.000 8.290) 9.533 7.506 ( -14.256 -0.000 12.911) 19.234 7.571 ( -12.680 -0.000 12.374) 17.717 7.765 ( 6.077 0.000 -21.160) 22.016 8.382 ( 14.666 0.000 19.824) 24.660 8.548 ( -4.485 -0.000 -7.691) 8.903 8.718 ( -10.938 -0.000 30.061) 31.990 9.377 ( 7.321 0.000 -7.760) 10.669 9.482 ( 4.668 0.000 -18.886) 19.454 9.566 ( -23.770 -0.000 21.479) 32.037 9.771 ( -2.814 -0.000 0.500) 2.858 9.849 ( 4.032 0.000 -9.459) 10.282 10.060 ( -3.010 -0.000 -15.449) 15.739 11.031 ( 2.308 0.000 -16.701) 16.860 11.197 ( -1.970 -0.000 -2.844) 3.460 11.360 ( -4.403 -0.000 -12.915) 13.645 11.539 ( -7.575 -0.000 13.804) 15.746 11.972 ( 3.029 0.000 -7.079) 7.700 12.342 ( 2.946 0.000 8.295) 8.803 12.645 ( 14.283 0.000 10.634) 17.807 12.961 ( -2.338 -0.000 2.349) 3.315 13.389 ( -21.685 -0.000 26.999) 34.629 14.322 ( 12.072 0.000 -33.039) 35.175 15.110 ( 4.611 0.000 -30.393) 30.741 15.568 ( 21.456 0.000 -10.931) 24.080 15.912 ( 19.573 0.000 9.387) 21.708 16.980 ( -15.442 -0.000 6.659) 16.816 17.716 ( -1.040 -0.000 -8.615) 8.677 18.314 ( 17.983 0.000 -8.106) 19.725 18.372 ( 1.920 0.000 -11.257) 11.420 19.028 ( -5.637 -0.000 -0.228) 5.641 19.340 ( 1.233 0.000 2.358) 2.661 19.746 ( -13.330 -0.000 8.207) 15.654 20.430 ( -6.647 -0.000 10.046) 12.046 20.536 ( -8.457 -0.000 -3.946) 9.332 21.002 ( 4.629 0.000 2.282) 5.161 21.350 ( -0.860 -0.000 -0.559) 1.026 21.444 ( 15.798 0.000 10.619) 19.035 21.943 ( 0.381 0.000 2.926) 2.950 22.302 ( -9.113 -0.000 -6.596) 11.250 22.434 ( -4.568 -0.000 5.979) 7.524 22.853 ( 3.387 0.000 -10.418) 10.955 24.821 ( -3.166 -0.000 11.483) 11.912 24.882 ( 7.032 0.000 9.778) 12.044 25.516 ( -5.153 -0.000 2.420) 5.693 25.653 ( 10.325 0.000 -2.106) 10.538 25.699 ( -0.448 -0.000 6.597) 6.613 26.900 ( -6.224 -0.000 -15.868) 17.045 27.255 ( -1.614 -0.000 2.619) 3.077 27.664 ( -6.726 -0.000 12.376) 14.086 27.835 ( 9.467 0.000 -6.173) 11.302 28.017 ( -4.224 -0.000 -11.636) 12.378 ======================= Grid point 198 (101/128) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -1.772 -0.000 14.079) 14.191 2.892 ( 0.517 0.000 -0.961) 1.092 3.131 ( -1.238 -0.000 16.323) 16.370 3.392 ( 4.549 0.000 -6.291) 7.764 3.578 ( 5.375 0.000 0.675) 5.417 3.664 ( -7.137 -0.000 -5.272) 8.873 3.791 ( 3.014 0.000 2.721) 4.061 4.040 ( -4.568 -0.000 -16.512) 17.132 4.515 ( -1.054 -0.000 6.041) 6.133 4.598 ( -10.360 -0.000 1.266) 10.437 5.050 ( 0.171 0.000 8.636) 8.637 5.218 ( -1.204 -0.000 -6.307) 6.421 5.329 ( -0.100 -0.000 18.760) 18.760 5.523 ( -0.122 -0.000 -3.019) 3.021 5.894 ( -5.141 -0.000 9.266) 10.597 6.160 ( 4.534 0.000 -12.461) 13.261 6.469 ( -7.815 -0.000 4.044) 8.799 6.545 ( 8.511 0.000 13.651) 16.087 6.662 ( 9.919 0.000 1.316) 10.006 7.085 ( 5.067 0.000 -23.165) 23.713 7.254 ( -8.560 -0.000 12.084) 14.809 7.469 ( -0.175 -0.000 -7.881) 7.883 7.810 ( -1.166 -0.000 32.439) 32.460 8.543 ( 10.407 0.000 -11.983) 15.871 8.571 ( 0.751 0.000 40.401) 40.408 8.648 ( 11.871 0.000 -17.957) 21.526 8.850 ( -32.225 -0.000 -2.973) 32.362 9.089 ( 5.922 0.000 11.938) 13.326 9.266 ( -8.640 -0.000 -13.085) 15.681 9.273 ( -5.943 -0.000 22.405) 23.180 9.433 ( 9.077 0.000 -24.145) 25.795 9.733 ( 11.239 0.000 -19.508) 22.514 10.114 ( -10.518 -0.000 18.937) 21.662 10.596 ( 9.853 0.000 -26.897) 28.645 11.043 ( -7.458 -0.000 2.307) 7.806 11.082 ( 4.149 0.000 -1.036) 4.276 11.711 ( -5.958 -0.000 9.429) 11.154 11.870 ( 3.306 0.000 -5.649) 6.545 12.736 ( 12.229 0.000 6.980) 14.081 12.774 ( -14.059 -0.000 -0.893) 14.088 13.063 ( -5.743 -0.000 16.695) 17.656 13.633 ( 8.518 0.000 -33.174) 34.250 13.726 ( -18.987 -0.000 32.544) 37.678 14.414 ( 17.650 0.000 -32.878) 37.316 15.999 ( -14.238 -0.000 1.610) 14.329 16.038 ( 22.163 0.000 -2.052) 22.258 17.518 ( 19.962 0.000 10.386) 22.502 17.548 ( -11.487 -0.000 4.230) 12.241 18.035 ( -9.909 -0.000 -11.832) 15.433 18.059 ( 2.662 0.000 -11.650) 11.951 19.100 ( 3.350 0.000 8.676) 9.300 19.253 ( -4.602 -0.000 -5.428) 7.116 19.924 ( -2.851 -0.000 15.251) 15.515 20.230 ( 2.222 0.000 -13.041) 13.229 20.563 ( -2.389 -0.000 8.711) 9.032 20.745 ( -1.286 -0.000 -9.117) 9.208 21.595 ( 2.587 0.000 5.891) 6.434 21.659 ( -4.069 -0.000 -0.495) 4.099 22.031 ( 0.576 0.000 3.166) 3.218 22.103 ( 0.671 0.000 -3.871) 3.928 22.542 ( -5.226 -0.000 8.378) 9.874 22.735 ( 7.972 0.000 -9.722) 12.573 25.084 ( -0.675 -0.000 9.208) 9.233 25.216 ( 2.891 0.000 -2.019) 3.526 25.480 ( -3.284 -0.000 7.996) 8.644 25.663 ( 3.210 0.000 -8.220) 8.825 26.011 ( 4.589 0.000 12.878) 13.671 26.288 ( -9.556 -0.000 -13.214) 16.307 27.339 ( 1.093 0.000 5.513) 5.620 27.481 ( -4.193 -0.000 -8.070) 9.094 27.801 ( -11.163 -0.000 11.236) 15.839 28.028 ( 14.158 0.000 -10.202) 17.451 ======================= Grid point 199 (102/128) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.173 0.756 10.691) 10.719 2.871 ( -0.643 3.046 -3.341) 4.567 3.169 ( -5.052 -0.517 12.216) 13.229 3.405 ( 0.745 0.084 -7.464) 7.502 3.487 ( -7.101 3.829 -2.251) 8.375 3.604 ( 6.820 6.176 3.873) 9.983 3.828 ( 3.628 5.396 6.400) 9.123 3.916 ( -1.424 3.495 -15.745) 16.191 4.503 ( -4.391 0.520 0.609) 4.464 4.537 ( 2.781 -0.189 11.612) 11.942 5.009 ( -5.087 3.643 3.945) 7.397 5.179 ( 3.668 3.681 -5.551) 7.604 5.390 ( 0.682 -0.263 13.896) 13.916 5.514 ( 1.372 1.099 -3.702) 4.098 5.859 ( -8.006 -1.086 14.117) 16.266 6.201 ( 1.208 -5.626 -5.424) 7.908 6.477 ( -5.109 -8.129 8.915) 13.102 6.774 ( 1.625 -14.139 7.246) 15.970 6.897 ( 6.049 -10.861 -3.111) 12.815 6.973 ( -0.163 3.634 -14.852) 15.291 7.271 ( -9.076 -5.140 3.738) 11.080 7.416 ( 3.547 2.144 -8.268) 9.249 7.977 ( -2.964 -8.334 27.995) 29.359 8.385 ( -5.327 3.247 -11.160) 12.785 8.516 ( -15.934 -2.483 -15.984) 22.705 8.725 ( 2.972 1.342 17.930) 18.224 8.877 ( 3.015 0.466 26.370) 26.546 9.126 ( -6.367 -2.492 -12.614) 14.348 9.192 ( 2.348 -3.598 3.108) 5.302 9.310 ( 2.167 1.672 19.320) 19.513 9.474 ( 10.972 -1.958 -21.479) 24.198 9.835 ( 15.382 -2.376 -22.115) 27.043 10.043 ( -7.899 3.478 16.801) 18.888 10.594 ( 10.924 4.621 -22.253) 25.216 10.939 ( -6.014 4.794 4.434) 8.878 11.094 ( 5.577 5.401 -1.110) 7.843 11.666 ( -3.937 1.873 10.800) 11.647 11.889 ( 2.934 0.001 -5.305) 6.062 12.450 ( -14.270 15.008 4.703) 21.237 12.800 ( 11.046 13.505 -3.127) 17.725 13.052 ( -14.244 -5.102 16.067) 22.070 13.437 ( 0.235 7.456 3.054) 8.060 13.964 ( -4.559 -22.125 -0.775) 22.603 14.577 ( 19.736 -5.770 -28.031) 34.765 15.781 ( -17.360 5.019 -3.237) 18.359 16.201 ( 18.548 4.351 -5.360) 19.791 17.427 ( -11.959 -0.805 4.691) 12.872 17.762 ( 8.148 0.591 -8.117) 11.516 17.942 ( -3.600 -8.531 5.521) 10.780 18.112 ( 0.947 -6.520 -8.449) 10.715 19.157 ( 0.122 0.377 6.210) 6.222 19.199 ( -2.075 -1.719 -2.971) 4.011 19.915 ( 2.135 6.145 15.014) 16.363 20.152 ( 3.766 8.437 -12.740) 15.738 20.595 ( -2.037 -2.066 8.399) 8.886 20.740 ( 2.808 -2.321 -5.300) 6.431 21.550 ( -7.907 4.077 1.588) 9.037 21.586 ( -1.679 3.830 3.995) 5.784 22.056 ( 0.497 -0.080 1.886) 1.952 22.133 ( 3.072 -3.162 -3.682) 5.744 22.514 ( -4.872 -0.307 7.609) 9.041 22.791 ( 8.892 0.720 -11.396) 14.473 25.105 ( -2.179 -0.932 7.774) 8.128 25.223 ( 0.318 -0.044 -5.271) 5.280 25.462 ( -3.824 0.835 10.057) 10.792 25.653 ( 0.914 1.315 -9.416) 9.551 26.021 ( -1.032 9.315 7.070) 11.740 26.079 ( -1.105 7.486 -0.615) 7.592 27.424 ( -1.507 -4.026 1.091) 4.435 27.470 ( 1.633 -4.662 0.000) 4.940 27.772 ( -11.390 -7.579 6.171) 15.008 28.171 ( 13.301 -3.260 -10.368) 17.176 ======================= Grid point 200 (103/128) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -9.771 10.406 1.402) 14.343 2.782 ( 0.865 3.438 1.908) 4.026 3.067 ( -4.291 5.632 7.021) 9.972 3.329 ( -4.733 0.038 0.813) 4.803 3.498 ( 2.629 0.040 -3.866) 4.675 3.607 ( 8.710 6.489 0.397) 10.869 3.786 ( 1.983 1.437 7.893) 8.264 3.834 ( 3.942 3.232 -5.245) 7.313 4.428 ( -3.663 2.251 -8.634) 9.645 4.683 ( 9.006 -1.785 11.040) 14.359 4.939 ( -4.499 -2.773 -0.671) 5.327 5.131 ( 2.862 4.384 -2.846) 5.959 5.399 ( -3.549 2.649 10.472) 11.370 5.558 ( 4.100 -6.296 -0.635) 7.540 5.906 ( -1.570 -5.384 12.952) 14.114 6.266 ( -5.387 -2.931 5.642) 8.334 6.605 ( -7.494 -0.577 10.576) 12.975 6.708 ( -14.386 -1.456 -2.670) 14.704 6.951 ( -1.289 -2.524 -5.387) 6.087 7.150 ( -2.949 -13.193 -6.379) 14.948 7.222 ( -0.385 2.990 10.145) 10.584 7.526 ( 15.319 -8.693 -18.795) 25.758 8.062 ( -20.347 -11.692 14.235) 27.447 8.366 ( -0.593 -1.148 -1.383) 1.893 8.485 ( -5.631 -7.568 -3.311) 9.997 8.678 ( 1.842 8.968 9.733) 13.362 8.959 ( -0.799 -7.283 25.223) 26.266 9.113 ( 4.916 1.913 -8.158) 9.715 9.200 ( -5.358 -1.801 -14.831) 15.872 9.400 ( 4.032 -1.971 14.796) 15.462 9.660 ( 12.075 -7.050 -1.026) 14.020 9.941 ( -2.386 7.507 10.733) 13.313 9.975 ( 12.328 -3.295 -18.510) 22.483 10.548 ( 11.461 7.389 -17.016) 21.806 10.800 ( -6.153 7.009 7.743) 12.122 11.032 ( 4.016 7.423 -2.272) 8.740 11.643 ( 0.162 2.843 7.689) 8.200 11.888 ( 0.742 3.370 0.482) 3.484 12.098 ( -11.613 9.281 -0.446) 14.873 12.597 ( 2.271 14.908 -5.875) 16.184 13.052 ( -6.792 -3.232 9.895) 12.429 13.404 ( 1.554 1.972 8.157) 8.534 14.224 ( -1.379 -14.504 -6.234) 15.847 14.780 ( 13.556 -4.581 -18.689) 23.538 15.496 ( -15.008 4.033 -7.657) 17.324 16.319 ( 14.396 0.436 -5.483) 15.411 17.354 ( -8.646 -1.215 7.748) 11.673 17.684 ( -6.667 -0.293 -7.307) 9.896 18.105 ( 2.571 -3.628 -3.286) 5.529 18.220 ( 3.381 -5.857 -2.967) 7.385 19.152 ( -3.518 0.271 5.795) 6.785 19.242 ( -1.328 -7.177 -0.251) 7.303 19.882 ( 3.704 8.861 8.370) 12.739 20.011 ( 7.415 9.446 -6.439) 13.626 20.620 ( -3.098 -1.573 8.273) 8.973 20.829 ( 6.046 -2.917 -3.520) 7.580 21.402 ( -7.662 3.917 3.391) 9.249 21.487 ( -3.434 5.519 2.020) 6.807 22.052 ( -0.243 0.770 0.062) 0.810 22.218 ( 2.789 -3.710 -3.134) 5.600 22.502 ( -5.271 -2.022 8.857) 10.503 22.825 ( 8.821 2.350 -12.972) 15.862 25.111 ( -3.984 -1.125 5.512) 6.893 25.192 ( 0.100 2.543 -2.590) 3.631 25.413 ( -8.260 0.598 3.428) 8.963 25.593 ( 0.907 2.700 -0.612) 2.914 25.901 ( -0.016 2.659 -0.697) 2.749 25.992 ( 4.221 9.780 5.841) 12.149 27.447 ( -2.261 -2.450 0.620) 3.391 27.579 ( 3.828 -1.902 5.720) 7.141 27.813 ( -9.932 -10.827 -2.359) 14.881 28.338 ( 10.536 -4.309 -7.871) 13.839 ======================= Grid point 201 (104/128) ======================= q-point: (-0.57 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -7.585 6.477 2.354) 10.248 2.744 ( 0.310 2.219 -0.034) 2.241 3.024 ( 5.736 5.392 8.654) 11.699 3.301 ( -1.953 -0.828 1.745) 2.747 3.488 ( 1.225 1.535 -3.458) 3.976 3.533 ( 0.870 5.969 1.168) 6.144 3.791 ( -2.639 -2.630 -6.058) 7.112 3.978 ( 8.407 -4.351 12.119) 15.377 4.318 ( -2.316 0.834 -12.928) 13.161 4.756 ( 3.100 4.267 -1.349) 5.444 4.981 ( 1.058 -4.445 -1.026) 4.683 5.130 ( -1.898 -2.969 -1.326) 3.765 5.381 ( -1.895 -0.199 16.917) 17.024 5.749 ( 6.599 -8.622 1.655) 10.983 6.035 ( 4.593 -2.714 -5.591) 7.728 6.135 ( -12.283 11.815 9.832) 19.676 6.298 ( -17.310 2.091 15.393) 23.258 6.775 ( -11.522 -3.443 3.784) 12.607 6.940 ( 6.751 -4.606 -11.808) 14.360 7.180 ( 2.503 5.715 9.048) 10.991 7.301 ( 0.431 0.094 13.075) 13.082 7.747 ( 12.013 -3.551 -19.980) 23.582 8.047 ( -19.217 -10.269 8.769) 23.487 8.384 ( -9.254 1.979 15.514) 18.172 8.417 ( 2.423 -2.644 -3.770) 5.204 8.679 ( 1.860 1.385 2.660) 3.529 9.014 ( 7.246 11.613 -9.708) 16.781 9.146 ( -3.908 -2.394 -3.782) 5.942 9.272 ( 2.837 -15.126 9.799) 18.245 9.545 ( -2.576 -10.228 3.960) 11.266 9.794 ( -1.148 6.168 13.320) 14.723 9.860 ( 3.217 1.427 0.869) 3.625 10.082 ( 10.667 -3.542 -20.055) 22.990 10.583 ( 12.365 -1.093 -9.844) 15.843 10.620 ( -7.562 7.721 8.939) 14.025 10.960 ( 0.950 3.288 -3.759) 5.084 11.571 ( -2.532 10.357 9.488) 14.272 11.804 ( -0.059 -0.101 2.444) 2.447 11.979 ( -3.837 -1.014 -7.560) 8.539 12.429 ( 1.642 5.391 -5.228) 7.687 13.068 ( -1.861 -2.483 3.671) 4.807 13.428 ( 0.982 0.983 8.720) 8.830 14.329 ( 1.459 -3.396 -10.576) 11.204 14.868 ( 3.417 -1.280 -11.337) 11.910 15.320 ( -4.738 2.013 -6.834) 8.556 16.445 ( 8.476 0.131 -2.374) 8.803 17.323 ( -6.188 -2.567 7.008) 9.695 17.624 ( -3.773 -1.513 -3.293) 5.231 18.118 ( 2.176 1.182 -8.967) 9.302 18.281 ( 2.858 1.745 -0.230) 3.356 19.112 ( -2.420 1.308 3.877) 4.754 19.383 ( -3.712 -11.424 2.666) 12.304 19.740 ( 1.864 10.869 -2.267) 11.259 20.040 ( 6.914 -1.219 0.800) 7.066 20.642 ( -2.432 -2.002 9.127) 9.655 20.896 ( 3.845 0.628 -4.691) 6.098 21.304 ( -4.873 1.096 4.403) 6.658 21.386 ( -1.344 3.415 1.414) 3.933 22.036 ( 0.211 1.120 0.170) 1.152 22.265 ( -0.235 -1.536 -3.446) 3.780 22.523 ( -5.707 -3.994 10.850) 12.893 22.823 ( 8.055 4.123 -13.778) 16.484 25.094 ( -1.472 0.959 4.368) 4.708 25.134 ( -3.059 2.386 3.001) 4.905 25.332 ( -3.737 0.332 -1.138) 3.921 25.606 ( -0.268 -1.746 5.740) 6.005 25.876 ( 1.924 3.685 -3.021) 5.139 25.932 ( 1.707 1.570 2.764) 3.608 27.458 ( -1.429 -1.128 1.433) 2.317 27.657 ( 5.190 -0.017 5.432) 7.513 27.849 ( -7.740 -7.112 -6.783) 12.510 28.453 ( 6.005 -0.662 -5.567) 8.215 ======================= Grid point 202 (105/128) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 2.807 -6.606 4.469) 8.456 2.735 ( 1.433 0.245 1.100) 1.823 3.053 ( 9.656 4.057 4.799) 11.521 3.285 ( 1.795 6.235 7.949) 10.261 3.454 ( -3.481 -0.231 -2.847) 4.503 3.550 ( -2.529 -9.970 -0.286) 10.290 3.790 ( -4.661 -4.655 -6.442) 9.214 4.082 ( -0.915 -0.541 4.840) 4.956 4.281 ( -1.799 -1.108 -11.293) 11.489 4.745 ( 2.312 -4.630 -3.710) 6.368 5.009 ( 0.322 3.987 -2.925) 4.955 5.119 ( -6.680 -3.784 -0.424) 7.689 5.467 ( 1.173 -1.104 19.173) 19.241 5.698 ( -7.965 14.343 -3.398) 16.754 5.921 ( 0.291 -0.491 3.185) 3.236 6.161 ( -0.110 -5.420 8.573) 10.143 6.380 ( 5.304 -10.521 17.908) 21.437 6.617 ( -7.540 6.362 -1.886) 10.044 7.088 ( 10.423 14.637 -1.643) 18.044 7.096 ( -2.060 -5.620 8.891) 10.718 7.228 ( 1.114 13.097 11.542) 17.492 7.699 ( -1.559 6.914 -14.731) 16.347 8.077 ( -0.650 -0.832 4.546) 4.667 8.351 ( -6.133 1.255 26.821) 27.542 8.473 ( 5.312 0.467 -1.208) 5.468 8.665 ( 0.830 0.732 -7.000) 7.087 8.956 ( 4.309 -2.380 -9.612) 10.799 9.118 ( -3.962 0.280 1.772) 4.349 9.380 ( -4.664 4.153 -0.792) 6.296 9.621 ( -7.354 0.130 1.652) 7.539 9.748 ( 1.928 -0.892 11.500) 11.694 9.838 ( -1.746 -1.306 -6.085) 6.464 10.217 ( 3.624 -4.199 -17.509) 18.366 10.404 ( -13.688 -1.599 3.828) 14.303 10.832 ( 15.013 -7.095 -6.477) 17.824 10.949 ( -1.659 -4.947 -5.811) 7.809 11.449 ( -1.383 2.822 16.211) 16.513 11.872 ( 0.454 2.976 0.924) 3.149 11.961 ( 0.207 -10.779 -6.026) 12.351 12.419 ( 1.295 -2.761 -4.860) 5.738 13.124 ( 0.205 -5.151 -0.129) 5.157 13.430 ( -0.834 2.476 6.877) 7.357 14.356 ( 6.071 -0.170 -11.407) 12.923 14.826 ( -1.857 4.102 -8.259) 9.407 15.267 ( 6.006 2.973 -2.499) 7.152 16.416 ( -0.659 8.491 0.643) 8.541 17.347 ( -4.811 -4.288 4.322) 7.759 17.626 ( 2.995 -0.418 -2.602) 3.989 18.095 ( 5.368 2.290 -7.298) 9.345 18.250 ( 0.249 4.393 2.515) 5.068 19.123 ( 2.542 -1.904 2.270) 3.904 19.437 ( -0.871 4.845 -2.072) 5.341 19.662 ( -4.537 -5.208 4.055) 8.010 20.131 ( -3.141 -7.635 -6.341) 10.410 20.704 ( 0.618 -3.549 7.099) 7.961 20.851 ( -1.471 4.360 -3.921) 6.046 21.295 ( -1.206 -2.359 4.269) 5.024 21.383 ( 3.711 -0.577 2.371) 4.441 22.026 ( 1.159 1.228 0.995) 1.959 22.249 ( -3.240 -0.416 -1.778) 3.719 22.559 ( -5.856 -3.655 10.884) 12.888 22.782 ( 6.577 5.338 -13.482) 15.923 25.079 ( -5.034 -0.563 5.430) 7.426 25.101 ( 5.885 4.186 6.246) 9.549 25.316 ( -2.042 -2.387 -0.092) 3.142 25.653 ( 0.252 -1.615 2.941) 3.365 25.830 ( 2.577 3.504 0.270) 4.358 25.982 ( -3.738 -8.553 -1.839) 9.514 27.462 ( -0.555 -0.177 1.363) 1.483 27.737 ( 8.719 0.943 1.644) 8.922 27.816 ( -6.879 -1.673 -7.304) 10.172 28.432 ( 0.437 6.197 -3.991) 7.384 ======================= Grid point 203 (106/128) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 4.371 -5.657 11.024) 13.139 2.789 ( 3.199 -4.397 1.158) 5.559 3.142 ( 9.103 0.487 3.259) 9.681 3.216 ( 0.788 6.336 9.640) 11.563 3.417 ( -4.257 -2.710 -1.215) 5.191 3.724 ( -1.855 -12.835 -4.456) 13.712 3.775 ( -7.342 -3.701 -7.424) 11.078 4.066 ( -2.187 -3.047 -9.092) 9.835 4.266 ( -2.354 -3.894 1.636) 4.836 4.859 ( -4.393 -6.487 -4.912) 9.247 4.932 ( 3.693 2.635 -1.152) 4.681 5.106 ( -5.565 -4.755 -1.573) 7.487 5.383 ( -6.608 10.490 15.045) 19.495 5.584 ( 3.853 0.829 -3.741) 5.434 5.934 ( -0.479 -1.508 8.676) 8.819 6.198 ( -12.899 -0.672 13.336) 18.566 6.490 ( 7.266 9.452 11.270) 16.406 6.725 ( 12.158 -6.322 12.074) 18.263 6.901 ( 0.578 18.544 5.374) 19.315 6.994 ( 12.813 11.669 -0.297) 17.333 7.216 ( -1.589 -1.256 -2.515) 3.230 7.513 ( 1.310 6.634 -14.294) 15.813 7.985 ( -4.133 10.868 12.041) 16.739 8.358 ( 3.092 7.752 33.367) 34.395 8.502 ( 1.608 3.082 -6.526) 7.394 8.699 ( 7.737 -1.457 3.982) 8.823 8.993 ( -3.282 -0.200 -18.870) 19.154 9.090 ( -6.193 -7.821 -2.567) 10.301 9.244 ( -4.529 -0.533 -0.004) 4.560 9.466 ( -6.583 9.024 9.572) 14.711 9.732 ( 0.527 2.967 -6.689) 7.337 9.886 ( -5.537 0.060 -14.051) 15.103 10.083 ( -15.136 -4.329 15.341) 21.982 10.479 ( 5.566 -7.330 -22.214) 24.046 10.984 ( 1.949 -4.195 -3.526) 5.817 11.023 ( -3.835 -8.836 -6.910) 11.854 11.588 ( 2.414 -7.926 13.846) 16.136 11.820 ( -1.108 -0.661 0.061) 1.291 12.203 ( 8.240 -12.833 -2.539) 15.461 12.494 ( -1.895 -8.785 0.662) 9.012 13.234 ( -0.841 -8.514 -0.396) 8.565 13.375 ( -1.374 4.408 3.269) 5.657 14.351 ( 5.635 7.190 -9.715) 13.336 14.634 ( -4.794 10.781 -11.157) 16.239 15.389 ( 18.533 -2.578 1.374) 18.762 16.239 ( -6.352 7.003 2.285) 9.727 17.350 ( 0.471 2.740 7.823) 8.302 17.653 ( 4.125 2.076 -3.517) 5.805 18.133 ( 7.215 -0.339 -6.250) 9.551 18.179 ( -1.440 3.912 0.480) 4.196 19.214 ( 2.061 -2.631 0.108) 3.344 19.270 ( -0.096 9.919 -3.278) 10.447 19.761 ( -7.431 -10.554 9.581) 16.075 20.175 ( -7.512 -9.507 -10.616) 16.110 20.725 ( -5.456 4.609 3.480) 7.945 20.787 ( 1.498 -2.444 -4.721) 5.523 21.375 ( 3.103 -4.186 4.808) 7.090 21.487 ( 5.636 -4.279 2.882) 7.641 22.028 ( 1.773 1.339 1.964) 2.966 22.202 ( -4.610 0.272 -1.139) 4.756 22.575 ( -5.855 -2.139 10.322) 12.058 22.723 ( 5.388 4.581 -11.768) 13.729 25.061 ( -2.514 0.252 7.908) 8.302 25.138 ( 8.674 4.384 5.832) 11.334 25.367 ( -2.699 -6.822 2.556) 7.769 25.666 ( 2.874 1.810 -3.356) 4.775 25.835 ( 1.258 -0.565 4.220) 4.440 26.110 ( -6.912 -16.021 -4.018) 17.905 27.455 ( 0.225 1.742 0.701) 1.892 27.711 ( -6.934 2.031 -7.165) 10.176 27.826 ( 12.245 2.062 -2.838) 12.738 28.245 ( -5.512 12.361 -0.309) 13.538 ======================= Grid point 204 (107/128) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -1.243 -0.440 15.378) 15.434 2.883 ( 0.402 -1.786 0.743) 1.975 3.129 ( -1.058 4.992 15.474) 16.294 3.299 ( 9.293 -3.017 -1.884) 9.951 3.481 ( 2.521 -5.876 -0.314) 6.402 3.707 ( -5.225 -0.370 -4.537) 6.929 3.805 ( -1.929 -2.523 -6.891) 7.588 4.089 ( -5.020 -7.552 -16.495) 18.823 4.392 ( 1.260 -9.517 8.949) 13.124 4.759 ( -13.708 1.210 -5.661) 14.880 4.988 ( 3.528 -1.757 5.987) 7.168 5.180 ( 0.995 -6.017 -6.720) 9.075 5.294 ( -2.131 0.715 16.599) 16.750 5.549 ( -1.891 1.733 -4.769) 5.415 5.979 ( -8.908 1.375 13.744) 16.436 6.107 ( 5.523 1.305 -1.729) 5.933 6.490 ( 8.051 9.558 23.858) 26.933 6.574 ( -4.783 10.745 7.562) 13.983 6.763 ( 8.277 16.518 -11.582) 21.806 7.076 ( 4.923 0.190 -8.685) 9.985 7.263 ( 4.822 -4.337 5.920) 8.781 7.453 ( 3.766 1.224 -10.315) 11.049 7.831 ( -3.799 9.296 24.885) 26.834 8.342 ( -0.862 1.038 18.369) 18.418 8.495 ( 11.063 5.996 15.331) 19.833 8.745 ( 0.429 2.386 -20.072) 20.218 8.967 ( 7.536 -1.314 2.325) 7.995 9.103 ( -19.414 -9.518 -7.391) 22.850 9.284 ( -2.655 -3.286 7.972) 9.022 9.313 ( -5.138 3.064 7.765) 9.802 9.572 ( -4.847 10.734 -18.646) 22.054 9.723 ( 1.500 0.782 -15.107) 15.201 10.132 ( -11.090 -5.500 20.052) 23.565 10.555 ( 8.894 -3.331 -28.141) 29.700 11.035 ( 0.198 -3.419 -4.128) 5.364 11.075 ( -6.467 -5.463 -0.274) 8.470 11.700 ( -4.765 -4.526 10.184) 12.120 11.858 ( 3.444 -0.416 -5.685) 6.660 12.496 ( 10.527 -10.037 3.625) 14.990 12.684 ( -4.162 -16.966 3.861) 17.890 13.199 ( -6.752 8.965 10.988) 15.707 13.442 ( 1.751 -12.748 -8.639) 15.499 14.107 ( -8.343 20.427 5.467) 22.733 14.425 ( 8.922 7.084 -29.229) 31.371 15.722 ( 23.888 -6.651 1.656) 24.852 16.109 ( -10.143 -0.238 3.159) 10.626 17.362 ( 11.765 6.627 11.767) 17.911 17.626 ( -2.611 1.563 1.843) 3.557 18.101 ( -2.410 1.670 -7.498) 8.050 18.157 ( 3.023 2.595 -12.272) 12.902 19.097 ( -1.030 5.597 4.339) 7.157 19.287 ( -1.025 -2.371 -4.066) 4.817 19.868 ( -5.669 -6.819 13.501) 16.153 20.211 ( -3.370 -7.178 -11.899) 14.300 20.611 ( -4.438 3.978 6.039) 8.485 20.790 ( -1.288 -0.805 -9.268) 9.392 21.502 ( 4.980 -3.299 5.614) 8.198 21.623 ( 2.816 -4.741 0.909) 5.589 22.030 ( 0.976 1.407 2.868) 3.341 22.138 ( -3.310 1.085 -2.491) 4.283 22.567 ( -5.624 -0.776 9.530) 11.093 22.699 ( 6.121 1.687 -9.690) 11.584 25.066 ( -0.833 0.523 9.389) 9.441 25.181 ( 6.777 2.570 2.355) 7.621 25.457 ( -3.723 -5.576 6.021) 9.011 25.656 ( 4.610 1.937 -6.839) 8.472 25.902 ( 2.695 -2.716 8.339) 9.174 26.278 ( -8.203 -16.272 -9.318) 20.467 27.397 ( 0.443 6.555 1.211) 6.681 27.579 ( -5.931 1.824 -7.698) 9.888 27.919 ( 12.823 2.086 -6.285) 14.432 27.973 ( -9.114 10.322 6.595) 15.268 ======================= Grid point 206 (108/128) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 1.102 0.000 8.754) 8.823 2.887 ( -0.301 -0.000 -4.245) 4.256 3.170 ( -4.084 -0.000 10.293) 11.074 3.372 ( -0.785 -0.000 -11.147) 11.175 3.391 ( -8.128 -0.000 2.945) 8.645 3.745 ( 4.473 0.000 5.777) 7.306 3.863 ( 1.295 0.000 -17.104) 17.153 4.028 ( 11.758 0.000 12.004) 16.803 4.515 ( 0.100 0.000 4.591) 4.592 4.525 ( -6.077 -0.000 15.768) 16.899 5.084 ( -1.361 -0.000 7.367) 7.492 5.106 ( -6.081 -0.000 -1.130) 6.185 5.450 ( 1.037 0.000 6.616) 6.697 5.565 ( 5.083 0.000 -2.500) 5.664 5.871 ( -1.537 -0.000 6.552) 6.730 6.059 ( -2.496 -0.000 -12.218) 12.471 6.427 ( 3.019 0.000 1.425) 3.338 6.592 ( -12.345 -0.000 7.346) 14.365 6.880 ( 4.533 0.000 2.513) 5.183 6.935 ( -4.374 -0.000 -25.285) 25.661 7.139 ( -8.861 -0.000 14.491) 16.985 7.493 ( 12.104 0.000 -9.650) 15.480 7.906 ( -19.869 -0.000 28.740) 34.940 8.236 ( -5.413 -0.000 6.230) 8.253 8.387 ( 2.622 0.000 -36.932) 37.025 8.834 ( -15.651 -0.000 -12.349) 19.936 8.839 ( -3.552 -0.000 38.764) 38.927 9.082 ( 8.474 0.000 -7.721) 11.464 9.148 ( -7.167 -0.000 16.221) 17.734 9.504 ( 13.362 0.000 14.287) 19.562 9.519 ( 12.376 0.000 -13.770) 18.514 9.932 ( 18.574 0.000 -24.232) 30.532 10.045 ( -6.200 -0.000 17.384) 18.456 10.708 ( 14.227 0.000 -18.833) 23.603 10.939 ( -4.480 -0.000 7.618) 8.838 11.218 ( 7.400 0.000 -1.203) 7.497 11.666 ( -3.057 -0.000 9.120) 9.619 11.913 ( 3.576 0.000 -3.126) 4.750 12.414 ( -16.976 -0.000 -1.475) 17.040 12.914 ( -17.139 -0.000 27.658) 32.538 13.019 ( 6.847 0.000 0.668) 6.880 13.558 ( 4.747 0.000 -32.511) 32.856 13.670 ( -5.209 -0.000 33.252) 33.658 14.671 ( 23.257 0.000 -31.771) 39.373 15.629 ( -17.142 -0.000 -5.888) 18.125 16.343 ( 6.098 0.000 -12.542) 13.946 17.315 ( -5.454 -0.000 2.013) 5.814 17.646 ( -15.982 -0.000 -5.431) 16.880 18.017 ( 17.362 0.000 5.515) 18.217 18.023 ( -3.279 -0.000 -6.176) 6.993 19.144 ( -1.101 -0.000 -3.753) 3.911 19.204 ( -0.506 -0.000 7.325) 7.343 20.065 ( 6.516 0.000 16.336) 17.588 20.218 ( 2.868 0.000 -12.678) 12.998 20.604 ( -0.509 -0.000 11.504) 11.516 20.753 ( 7.188 0.000 -4.681) 8.578 21.470 ( -11.722 -0.000 1.637) 11.835 21.592 ( -5.210 -0.000 2.843) 5.936 22.098 ( 0.400 0.000 -5.134) 5.149 22.116 ( 5.253 0.000 4.274) 6.772 22.474 ( -5.968 -0.000 6.394) 8.746 22.866 ( 10.255 0.000 -13.513) 16.963 25.070 ( -5.934 -0.000 4.253) 7.301 25.207 ( 0.442 0.000 -5.647) 5.664 25.440 ( -6.694 -0.000 7.395) 9.975 25.672 ( 4.208 0.000 -6.478) 7.725 26.025 ( -7.560 -0.000 -8.202) 11.155 26.205 ( 3.264 0.000 16.909) 17.221 27.396 ( -0.141 -0.000 -4.199) 4.201 27.432 ( 1.991 0.000 9.006) 9.223 27.638 ( -8.036 -0.000 8.261) 11.525 28.239 ( 11.672 0.000 -13.600) 17.922 ======================= Grid point 207 (109/128) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -8.328 9.092 3.555) 12.832 2.834 ( -1.314 2.800 -1.137) 3.296 3.114 ( -2.396 2.088 2.694) 4.167 3.324 ( -1.575 3.373 0.560) 3.765 3.416 ( 1.298 -6.715 -3.189) 7.546 3.724 ( -3.702 1.191 -1.547) 4.185 3.905 ( 11.874 3.258 -2.485) 12.561 4.030 ( 6.907 12.860 12.315) 19.098 4.479 ( 2.189 6.198 -1.182) 6.678 4.700 ( 3.070 -12.990 18.118) 22.504 4.912 ( -4.017 5.937 1.884) 7.412 5.180 ( -1.971 -1.433 -4.665) 5.263 5.445 ( -3.714 1.251 9.093) 9.901 5.535 ( 3.230 2.729 -6.742) 7.959 5.861 ( 1.077 -1.846 9.444) 9.682 6.141 ( -3.342 -6.389 1.354) 7.336 6.482 ( -2.732 -7.818 3.562) 9.015 6.669 ( -7.682 -20.810 1.010) 22.205 6.680 ( -13.946 10.466 -5.760) 18.363 6.886 ( -9.701 -2.961 -10.691) 14.737 7.223 ( 6.843 -6.632 1.512) 9.648 7.591 ( 16.540 1.297 -15.492) 22.699 7.800 ( -19.151 -3.061 29.407) 35.226 8.284 ( -4.530 -4.312 -19.085) 20.084 8.347 ( 1.442 -4.875 4.576) 6.840 8.683 ( -7.930 -4.956 -4.988) 10.598 8.947 ( -1.742 -3.310 28.475) 28.720 9.049 ( 0.318 1.868 -20.484) 20.571 9.129 ( -8.323 -1.852 13.134) 15.659 9.627 ( 12.526 5.380 6.752) 15.213 9.689 ( 11.218 -1.943 5.716) 12.739 10.005 ( -0.894 3.631 12.351) 12.905 10.074 ( 14.455 -0.945 -20.778) 25.329 10.767 ( 15.616 5.955 -14.282) 21.984 10.886 ( -3.733 5.542 11.515) 13.313 11.208 ( 4.451 8.460 -3.881) 10.317 11.683 ( 0.680 -0.415 4.619) 4.687 11.938 ( 4.237 0.679 -4.060) 5.907 12.141 ( -14.643 10.957 4.962) 18.950 12.725 ( -15.426 8.845 9.836) 20.321 13.034 ( 0.477 1.936 8.978) 9.197 13.458 ( 1.331 2.312 -6.003) 6.569 13.960 ( 3.022 -18.402 9.409) 20.887 14.826 ( 17.322 -0.742 -26.980) 32.071 15.389 ( -12.122 3.377 -9.999) 16.073 16.314 ( -4.858 -3.715 -14.705) 15.926 17.318 ( 0.908 0.732 7.063) 7.158 17.519 ( -10.756 -5.005 -1.236) 11.927 17.984 ( -6.020 -4.805 -8.456) 11.438 18.233 ( 12.534 -3.689 -0.778) 13.089 19.141 ( -0.409 -0.807 0.476) 1.023 19.185 ( -3.009 1.566 3.821) 5.110 20.117 ( 4.695 9.395 5.420) 11.819 20.190 ( 7.523 3.995 1.930) 8.734 20.624 ( -1.003 0.937 10.553) 10.642 20.865 ( 10.264 -2.265 -3.834) 11.188 21.340 ( -11.447 0.577 3.246) 11.912 21.502 ( -6.733 2.997 0.319) 7.376 22.072 ( 0.390 1.057 -3.312) 3.498 22.212 ( 5.430 -1.617 2.800) 6.320 22.431 ( -7.237 -1.299 7.066) 10.197 22.915 ( 9.337 1.549 -15.243) 17.942 25.020 ( -7.451 -2.174 1.675) 7.940 25.202 ( 0.939 -0.739 -5.278) 5.412 25.356 ( -9.071 2.396 5.750) 11.004 25.673 ( 2.898 3.327 -1.860) 4.788 25.923 ( -1.014 1.916 -5.019) 5.467 26.210 ( 1.347 8.311 13.584) 15.982 27.400 ( -0.215 -1.583 0.816) 1.794 27.546 ( -2.908 -9.160 3.164) 10.118 27.625 ( -0.207 -1.276 8.566) 8.663 28.340 ( 8.853 -3.771 -13.322) 16.434 ======================= Grid point 208 (110/128) ======================= q-point: ( 0.43 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -8.589 10.769 4.969) 14.643 2.757 ( -3.011 2.425 -1.166) 4.039 3.087 ( -1.179 -1.081 -6.577) 6.768 3.294 ( 1.822 0.663 2.091) 2.852 3.493 ( 2.367 -0.024 -1.605) 2.860 3.662 ( -5.626 -0.652 -0.286) 5.671 3.849 ( 8.057 16.262 5.656) 19.010 4.061 ( 5.465 -0.853 8.058) 9.774 4.342 ( 0.334 8.675 -5.339) 10.192 4.806 ( -4.755 4.778 -3.144) 7.438 4.979 ( 10.447 -5.396 4.511) 12.594 5.155 ( 1.461 1.473 2.833) 3.511 5.384 ( -3.797 -2.019 13.610) 14.273 5.683 ( 8.305 -8.761 -2.278) 12.285 5.942 ( -5.460 -5.561 -4.328) 8.914 6.130 ( -7.589 -1.711 21.054) 22.445 6.299 ( -12.877 12.077 -1.996) 17.766 6.659 ( 1.744 -5.155 3.960) 6.730 6.803 ( -10.879 -9.171 -2.602) 14.464 7.022 ( 2.212 -24.955 -5.100) 25.566 7.342 ( 4.225 -0.134 -4.710) 6.329 7.660 ( -14.821 -2.716 8.218) 17.163 7.795 ( 8.484 -4.115 -5.312) 10.822 8.264 ( -9.019 -6.874 -2.384) 11.588 8.434 ( 4.115 -2.360 8.683) 9.894 8.737 ( -4.494 -1.636 2.299) 5.307 8.967 ( -0.456 -6.001 -19.723) 20.621 9.099 ( -5.208 -8.901 16.588) 19.532 9.169 ( 4.359 -3.561 5.963) 8.199 9.620 ( 5.508 11.806 11.121) 17.129 9.792 ( 0.447 0.038 4.737) 4.759 9.976 ( 2.862 5.735 13.514) 14.957 10.155 ( 11.500 0.160 -24.112) 26.714 10.710 ( -5.034 13.252 9.564) 17.101 10.828 ( 16.363 5.816 -4.549) 17.951 11.054 ( -0.460 9.957 -6.510) 11.905 11.696 ( 2.090 2.042 -7.123) 7.699 11.840 ( -10.016 9.064 9.077) 16.275 11.955 ( 3.551 2.636 -0.710) 4.480 12.470 ( -9.352 6.457 1.710) 11.492 13.041 ( -2.185 -0.798 7.758) 8.099 13.443 ( -0.806 -0.527 -1.953) 2.177 14.265 ( 7.201 -9.344 -0.075) 11.797 14.845 ( 2.581 1.080 -13.049) 13.345 15.294 ( 3.358 -1.213 -12.715) 13.207 16.306 ( -10.247 -10.970 -11.769) 19.075 17.316 ( -3.305 0.975 11.684) 12.181 17.549 ( 1.250 -3.716 0.875) 4.017 17.995 ( -3.685 -7.537 -11.938) 14.591 18.361 ( 6.885 0.181 -5.538) 8.838 19.108 ( -3.034 1.295 3.533) 4.834 19.198 ( -3.313 -5.847 1.384) 6.862 19.979 ( 4.076 13.977 2.739) 14.815 20.203 ( 6.661 7.728 5.475) 11.579 20.641 ( 0.082 -0.393 9.558) 9.567 20.964 ( 7.492 1.848 -5.012) 9.201 21.247 ( -7.850 -1.121 4.461) 9.098 21.389 ( -5.147 1.550 -0.666) 5.417 22.057 ( 1.263 0.604 -2.392) 2.772 22.268 ( 2.012 1.262 0.230) 2.386 22.424 ( -6.049 -4.055 10.775) 13.006 22.920 ( 7.291 2.977 -15.892) 17.736 24.997 ( -6.102 -3.644 1.351) 7.234 25.217 ( 3.805 0.588 -3.301) 5.072 25.235 ( -9.970 0.295 5.391) 11.338 25.648 ( -0.341 1.096 4.087) 4.245 25.894 ( 3.646 2.951 -5.773) 7.439 26.098 ( 0.075 10.125 7.714) 12.729 27.428 ( -0.814 -1.764 2.612) 3.255 27.621 ( -5.382 -7.337 -1.847) 9.285 27.738 ( 5.930 -3.056 8.242) 10.604 28.441 ( 4.274 -3.945 -11.040) 12.478 ======================= Grid point 209 (111/128) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.647 -2.106 5.114) 5.569 2.713 ( -2.343 -1.378 -1.094) 2.930 3.093 ( 0.383 -4.485 -10.497) 11.421 3.315 ( -3.778 -3.203 -3.328) 5.967 3.471 ( 1.915 5.367 4.098) 7.019 3.612 ( -1.065 3.159 -2.798) 4.352 3.686 ( 0.769 10.082 8.097) 12.954 4.106 ( -1.322 1.121 5.705) 5.962 4.249 ( 1.326 3.609 -7.746) 8.648 4.682 ( -2.788 -0.716 -4.074) 4.988 5.029 ( -1.289 4.880 -2.359) 5.572 5.209 ( 8.947 4.048 12.253) 15.702 5.496 ( 1.397 -3.815 13.602) 14.196 5.767 ( -13.768 3.500 3.972) 14.751 5.887 ( 5.216 1.038 -8.801) 10.283 6.098 ( -4.490 -1.146 5.303) 7.043 6.323 ( 6.239 -13.836 14.811) 21.207 6.677 ( 5.837 1.809 -0.767) 6.159 6.941 ( -6.582 -11.031 12.034) 17.602 7.308 ( -0.176 2.894 -8.563) 9.040 7.343 ( 2.870 -7.977 -1.905) 8.689 7.540 ( -19.484 -4.666 9.821) 22.313 7.956 ( 6.616 -8.553 -8.253) 13.603 8.303 ( -2.683 -7.037 3.094) 8.142 8.557 ( 1.190 -1.642 11.287) 11.468 8.656 ( 1.611 5.039 3.970) 6.615 9.004 ( -2.348 -3.467 -6.421) 7.666 9.212 ( 6.712 1.567 -9.546) 11.774 9.335 ( -1.001 -11.517 6.520) 13.272 9.454 ( -5.083 13.933 12.287) 19.260 9.772 ( -5.545 -0.884 5.713) 8.011 9.939 ( 3.196 8.259 5.542) 10.447 10.181 ( 4.336 -0.682 -15.861) 16.457 10.414 ( -5.809 15.195 2.087) 16.401 10.870 ( 3.270 4.971 -9.605) 11.299 10.963 ( 8.846 0.940 -2.744) 9.310 11.565 ( -2.435 6.906 9.316) 11.849 11.790 ( -4.069 -4.127 -5.375) 7.905 11.946 ( 6.004 1.774 -0.087) 6.262 12.345 ( -6.001 -0.582 -1.657) 6.253 13.071 ( -1.499 -2.777 6.565) 7.284 13.424 ( -2.997 -0.514 -3.129) 4.363 14.422 ( 11.745 -0.962 -7.802) 14.133 14.819 ( -1.526 1.037 -6.275) 6.540 15.368 ( 11.493 -1.773 -5.522) 12.873 16.299 ( -15.947 -7.946 -7.967) 19.517 17.322 ( -0.911 -0.582 12.004) 12.052 17.632 ( 4.066 -2.452 -0.511) 4.775 18.052 ( 1.390 -5.347 -10.158) 11.563 18.350 ( 1.704 3.807 -5.287) 6.734 19.124 ( 2.170 -3.173 1.182) 4.022 19.271 ( -7.552 -9.181 4.400) 12.676 19.807 ( 3.588 13.728 3.441) 14.600 20.111 ( -0.513 8.504 -1.171) 8.599 20.703 ( 2.137 -1.496 7.493) 7.934 20.919 ( 0.647 6.171 -5.060) 8.006 21.237 ( -3.520 -3.386 5.582) 7.417 21.372 ( -0.338 -3.075 -0.586) 3.149 22.068 ( 3.678 0.576 -1.610) 4.057 22.232 ( -3.282 1.767 1.662) 4.081 22.479 ( -3.044 -3.574 10.866) 11.837 22.877 ( 4.683 4.223 -15.411) 16.651 25.009 ( -3.256 -3.444 2.864) 5.538 25.183 ( -7.438 -3.670 6.238) 10.379 25.254 ( 6.164 1.111 -0.242) 6.268 25.668 ( -2.051 -3.088 6.663) 7.625 25.847 ( 2.486 4.474 -7.577) 9.144 25.970 ( -1.429 6.622 3.214) 7.498 27.454 ( -0.122 -1.133 2.594) 2.833 27.655 ( -4.771 -4.670 -4.585) 8.099 27.875 ( 9.168 -0.986 6.129) 11.073 28.457 ( -1.168 0.539 -9.212) 9.302 ======================= Grid point 210 (112/128) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 6.607 -10.850 5.567) 13.869 2.737 ( -1.543 -4.534 -0.460) 4.811 3.168 ( 2.984 -6.125 -9.476) 11.671 3.293 ( -10.316 -8.028 -3.527) 13.539 3.392 ( -0.847 8.690 9.474) 12.884 3.519 ( 2.427 5.334 -4.100) 7.152 3.665 ( -2.809 -4.119 4.930) 7.012 4.014 ( -3.969 3.199 -13.469) 14.402 4.264 ( 6.562 -1.017 8.453) 10.750 4.705 ( -4.926 -4.188 -6.496) 9.165 4.955 ( 0.629 0.959 4.700) 4.838 5.161 ( 1.941 10.696 2.640) 11.187 5.532 ( -6.886 10.714 14.623) 19.392 5.584 ( -1.072 -1.250 -3.608) 3.965 5.905 ( -1.598 -3.317 8.967) 9.693 6.120 ( -1.914 -1.541 2.992) 3.871 6.718 ( 16.024 -7.182 5.155) 18.300 6.795 ( 13.139 -4.408 12.588) 18.722 6.967 ( -15.017 -0.171 18.737) 24.013 7.237 ( -2.555 8.829 5.184) 10.552 7.304 ( 4.480 1.530 -15.204) 15.924 7.440 ( -9.203 0.662 -9.819) 13.474 8.129 ( 5.180 -1.835 5.534) 7.799 8.446 ( 1.226 -8.821 5.977) 10.725 8.568 ( -6.418 -1.510 11.837) 13.549 8.682 ( 5.086 2.613 7.921) 9.769 8.955 ( -2.908 3.385 -7.639) 8.847 9.128 ( 5.363 15.070 -0.829) 16.017 9.208 ( -6.086 5.616 5.981) 10.216 9.464 ( -5.486 -4.869 -2.093) 7.628 9.784 ( 0.173 -3.947 -1.322) 4.166 9.824 ( -2.786 6.573 -6.635) 9.746 10.004 ( -9.564 10.165 9.131) 16.678 10.368 ( 9.477 -5.677 -21.796) 24.436 10.846 ( -2.512 -4.655 -3.721) 6.467 10.985 ( 2.719 2.398 -7.794) 8.596 11.573 ( -1.612 -1.932 17.499) 17.679 11.777 ( -0.556 -3.160 -4.766) 5.746 12.105 ( 10.299 -9.898 -2.146) 14.445 12.317 ( -7.221 -5.280 -2.370) 9.254 13.143 ( -0.817 -4.827 8.487) 9.798 13.372 ( -4.030 0.704 -4.300) 5.935 14.520 ( 14.220 3.790 -11.449) 18.646 14.688 ( -6.555 7.173 -6.732) 11.821 15.571 ( 20.355 -2.642 0.624) 20.535 16.140 ( -19.023 -0.388 -5.218) 19.729 17.394 ( 1.550 -2.449 11.878) 12.227 17.689 ( 2.865 -0.747 -6.136) 6.813 18.131 ( 5.248 -2.860 -3.905) 7.140 18.271 ( -1.494 4.428 -3.804) 6.026 19.220 ( 4.296 -1.150 2.449) 5.077 19.317 ( -7.356 -3.557 3.433) 8.863 19.685 ( 2.626 5.481 4.214) 7.395 19.973 ( -5.445 -0.111 -8.371) 9.987 20.738 ( -2.709 1.307 5.287) 6.082 20.811 ( 1.506 4.559 -4.891) 6.854 21.319 ( -0.141 -6.711 7.111) 9.779 21.443 ( 0.543 -5.320 -0.501) 5.372 22.102 ( 5.920 2.014 -0.868) 6.313 22.170 ( -4.580 0.896 1.967) 5.064 22.524 ( -2.831 -1.738 10.094) 10.626 22.800 ( 2.992 4.139 -13.644) 14.569 25.050 ( -0.508 -2.295 5.916) 6.366 25.205 ( -6.215 -6.148 0.565) 8.760 25.323 ( 8.843 2.128 8.825) 12.673 25.742 ( -4.350 -7.597 6.521) 10.916 25.766 ( 1.633 4.686 -8.988) 10.267 25.900 ( -2.603 -0.755 -0.085) 2.711 27.478 ( 0.959 -0.099 2.475) 2.656 27.625 ( -5.648 -0.726 -4.379) 7.183 28.004 ( 12.834 1.657 1.202) 12.996 28.327 ( -6.328 7.401 -7.048) 12.020 ======================= Grid point 211 (113/128) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.696 -2.069 9.450) 9.699 2.824 ( -0.367 -6.040 -2.594) 6.583 3.240 ( -8.858 2.241 10.715) 14.082 3.320 ( 7.061 -5.955 -0.558) 9.254 3.399 ( 3.311 -7.249 0.173) 7.971 3.483 ( -2.965 -4.170 -7.752) 9.289 3.743 ( -1.312 -5.783 0.934) 6.003 3.919 ( -1.806 -1.716 -14.876) 15.083 4.406 ( 8.117 -1.015 12.757) 15.155 4.619 ( -9.269 0.728 -6.651) 11.431 5.038 ( -3.942 -0.904 2.074) 4.545 5.045 ( 5.640 -1.737 -1.118) 6.006 5.380 ( -2.208 5.280 12.498) 13.746 5.546 ( -1.656 1.660 -4.777) 5.322 5.934 ( -9.039 0.239 18.113) 20.244 6.181 ( 8.748 -0.674 -1.901) 8.978 6.726 ( -12.803 14.058 20.432) 27.911 6.833 ( 9.689 8.088 14.233) 19.023 7.001 ( -8.277 0.945 3.077) 8.881 7.119 ( 9.103 10.998 -10.110) 17.494 7.280 ( 0.896 -2.407 -9.390) 9.735 7.393 ( 5.092 -4.750 -14.683) 16.251 8.105 ( 3.581 14.738 18.872) 24.211 8.417 ( -7.451 7.259 12.969) 16.625 8.626 ( 2.930 -7.090 -0.666) 7.700 8.744 ( -8.267 -4.965 -9.449) 13.501 8.829 ( -4.002 7.282 16.470) 18.447 9.026 ( 2.181 -3.090 5.858) 6.973 9.219 ( 5.882 0.114 1.719) 6.129 9.370 ( -6.740 6.726 10.680) 14.308 9.583 ( -4.319 7.413 -24.595) 26.048 9.815 ( 12.130 4.407 -21.578) 25.143 9.981 ( -7.935 -7.132 21.861) 24.326 10.485 ( 8.367 -5.808 -24.740) 26.755 10.900 ( -5.681 -6.875 1.338) 9.018 10.981 ( 2.223 -3.430 -5.574) 6.912 11.625 ( -4.982 -3.339 14.773) 15.944 11.855 ( 4.254 -3.001 -5.961) 7.915 12.335 ( -9.241 -11.349 5.497) 15.634 12.444 ( 10.202 -16.214 -4.608) 19.703 13.204 ( -8.415 -0.107 9.274) 12.523 13.326 ( 0.710 -2.671 0.221) 2.773 14.359 ( -5.552 18.112 -4.010) 19.364 14.577 ( 13.491 6.074 -20.110) 24.966 15.871 ( 13.680 -5.255 1.650) 14.747 15.940 ( -8.462 -1.851 -4.596) 9.806 17.477 ( -3.293 -2.727 11.190) 11.979 17.695 ( 7.100 2.218 -7.797) 10.776 18.123 ( -4.413 6.959 0.577) 8.260 18.204 ( 3.526 2.450 -7.418) 8.570 19.190 ( -3.329 4.810 4.423) 7.333 19.266 ( 0.239 3.507 -2.282) 4.190 19.749 ( 0.050 -6.785 11.351) 13.225 20.003 ( -0.477 -10.941 -11.833) 16.123 20.656 ( -3.971 3.971 5.618) 7.944 20.774 ( 1.653 2.220 -5.288) 5.969 21.465 ( 0.527 -7.540 6.375) 9.887 21.530 ( -2.042 -6.049 0.127) 6.386 22.085 ( -1.932 2.468 2.680) 4.124 22.148 ( 4.022 2.110 -3.275) 5.600 22.535 ( -3.697 -0.279 9.017) 9.749 22.752 ( 4.904 1.428 -11.343) 12.439 25.094 ( 0.054 -0.262 8.528) 8.532 25.227 ( -1.524 -2.485 -4.075) 5.011 25.420 ( 2.953 -0.358 13.775) 14.092 25.685 ( -1.460 0.685 -11.297) 11.412 25.855 ( -0.263 -7.244 7.550) 10.467 25.957 ( -2.832 -10.014 -1.998) 10.597 27.488 ( 2.038 2.390 2.359) 3.928 27.536 ( -5.264 2.302 -3.000) 6.481 28.056 ( -9.294 11.926 -1.509) 15.195 28.106 ( 13.087 3.891 -5.117) 14.581 ======================= Grid point 214 (114/128) ======================= q-point: ( 0.29 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -7.796 -0.000 8.082) 11.229 2.818 ( -2.948 -0.000 -3.336) 4.451 3.082 ( -4.403 -0.000 -4.282) 6.142 3.306 ( -0.435 -0.000 -12.001) 12.009 3.446 ( 6.251 0.000 13.237) 14.639 3.660 ( -4.698 -0.000 -6.140) 7.731 4.042 ( 11.790 0.000 -0.924) 11.826 4.442 ( 14.965 0.000 11.817) 19.068 4.487 ( -5.742 -0.000 20.883) 21.658 4.602 ( 4.697 0.000 8.514) 9.724 4.967 ( -4.143 -0.000 -3.397) 5.358 5.088 ( -2.242 -0.000 7.065) 7.412 5.382 ( -8.327 -0.000 0.099) 8.327 5.602 ( 2.244 0.000 -13.686) 13.869 5.902 ( 0.187 0.000 -2.127) 2.135 6.079 ( 7.444 0.000 1.494) 7.592 6.183 ( -26.960 -0.000 13.865) 30.316 6.519 ( -0.685 -0.000 -8.735) 8.762 6.655 ( -12.662 -0.000 2.656) 12.937 6.748 ( 4.936 0.000 -10.936) 11.998 7.261 ( 9.393 0.000 -1.132) 9.460 7.685 ( -16.715 -0.000 35.899) 39.600 7.768 ( 19.836 0.000 -21.614) 29.336 8.070 ( -15.034 -0.000 -24.825) 29.022 8.317 ( -3.494 -0.000 20.637) 20.931 8.549 ( 0.606 0.000 -14.674) 14.687 8.969 ( -1.806 -0.000 -25.496) 25.560 8.991 ( -4.624 -0.000 23.005) 23.465 9.079 ( -7.008 -0.000 26.635) 27.542 9.801 ( 12.859 0.000 5.977) 14.180 9.869 ( 8.251 0.000 13.584) 15.894 10.090 ( 2.001 0.000 16.312) 16.434 10.127 ( 12.100 0.000 -27.994) 30.498 10.941 ( 15.775 0.000 -14.600) 21.494 10.943 ( -2.841 -0.000 15.531) 15.788 11.296 ( 1.959 0.000 -13.071) 13.217 11.709 ( 1.921 0.000 5.709) 6.024 11.944 ( -2.370 -0.000 -8.722) 9.038 12.145 ( -2.442 -0.000 8.959) 9.286 12.653 ( -20.388 -0.000 24.062) 31.539 13.065 ( -5.891 -0.000 9.156) 10.887 13.447 ( 5.468 0.000 -33.564) 34.007 13.912 ( 5.969 0.000 32.359) 32.905 14.946 ( 19.669 0.000 -32.281) 37.801 15.241 ( -11.833 -0.000 -9.244) 15.016 16.087 ( -15.868 -0.000 -18.893) 24.672 17.322 ( -12.310 -0.000 5.090) 13.320 17.456 ( 11.586 0.000 6.898) 13.484 17.837 ( -6.077 -0.000 -11.700) 13.184 18.319 ( 8.619 0.000 -3.369) 9.254 19.139 ( 0.831 0.000 -1.780) 1.965 19.177 ( -4.590 -0.000 4.752) 6.607 20.226 ( 4.719 0.000 -4.878) 6.787 20.363 ( 8.600 0.000 17.799) 19.768 20.667 ( -1.018 -0.000 11.531) 11.576 20.957 ( 12.602 0.000 -5.516) 13.756 21.222 ( -11.788 -0.000 4.676) 12.682 21.440 ( -8.140 -0.000 -2.159) 8.421 22.068 ( 0.430 0.000 -3.939) 3.963 22.289 ( 6.667 0.000 3.603) 7.578 22.357 ( -8.025 -0.000 8.119) 11.416 22.966 ( 7.188 0.000 -17.147) 18.592 24.927 ( -5.865 -0.000 -0.257) 5.870 25.163 ( -4.473 -0.000 -1.528) 4.727 25.317 ( -4.059 -0.000 1.475) 4.319 25.675 ( -5.874 -0.000 -3.000) 6.596 25.962 ( 9.273 0.000 -4.573) 10.339 26.322 ( -3.347 -0.000 16.598) 16.932 27.400 ( 2.060 0.000 -2.670) 3.373 27.434 ( -4.993 -0.000 6.323) 8.056 27.673 ( 3.672 0.000 12.081) 12.627 28.345 ( 6.646 0.000 -16.151) 17.465 ======================= Grid point 215 (115/128) ======================= q-point: ( 0.43 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -6.899 12.014 7.465) 15.737 2.764 ( -3.181 2.848 -0.574) 4.309 3.031 ( -1.540 -0.324 -7.286) 7.454 3.258 ( -3.787 -0.534 -9.446) 10.191 3.557 ( 5.389 -0.531 7.778) 9.478 3.591 ( -6.128 -0.063 -1.123) 6.231 4.134 ( 6.087 2.548 1.204) 6.708 4.233 ( 3.868 16.805 8.172) 19.083 4.542 ( 4.350 10.688 4.420) 12.357 4.849 ( -4.595 7.693 2.917) 9.424 4.988 ( 8.877 -17.180 19.814) 27.686 5.079 ( 1.302 -5.388 -8.573) 10.209 5.361 ( -6.906 0.833 11.399) 13.354 5.604 ( 7.225 -10.735 -3.808) 13.489 5.845 ( -5.003 4.848 -7.389) 10.155 6.084 ( -10.752 -7.827 15.669) 20.552 6.259 ( -7.588 -13.138 -1.873) 15.287 6.355 ( -9.847 3.055 -8.379) 13.285 6.660 ( 5.130 -3.698 0.887) 6.386 6.863 ( 10.138 -7.115 -7.280) 14.367 7.330 ( 1.439 0.054 -6.110) 6.278 7.550 ( -17.989 4.492 21.014) 28.025 7.896 ( 16.692 1.142 -19.795) 25.919 7.968 ( -12.244 -13.922 -3.543) 18.875 8.410 ( -3.518 -7.610 17.310) 19.234 8.556 ( -3.056 -6.281 -9.664) 11.924 8.903 ( 6.093 0.795 -20.096) 21.014 8.968 ( -11.299 -3.278 15.712) 19.629 9.189 ( 2.612 -3.927 24.617) 25.065 9.884 ( 3.635 7.994 12.962) 15.657 9.923 ( 5.405 5.396 12.458) 14.613 10.149 ( 6.033 -1.463 -27.114) 27.816 10.169 ( 9.154 4.565 11.845) 15.651 10.887 ( -4.320 9.355 13.075) 16.647 11.023 ( 8.811 2.435 -7.218) 11.648 11.190 ( 3.900 7.837 -19.671) 21.531 11.711 ( 0.262 3.015 -4.061) 5.064 11.845 ( -6.407 3.060 -1.077) 7.181 12.141 ( 6.409 8.077 8.524) 13.378 12.461 ( -14.591 5.383 14.447) 21.227 13.015 ( -7.581 -0.592 11.635) 13.900 13.404 ( 3.579 -0.002 -22.890) 23.168 14.200 ( 7.301 -11.765 21.140) 25.272 14.908 ( 4.862 7.939 -18.004) 20.268 15.233 ( 4.977 -7.350 -16.771) 18.975 15.916 ( -17.834 -9.799 -16.623) 26.276 17.260 ( -6.909 -2.984 8.836) 11.607 17.579 ( 2.280 -0.969 5.971) 6.464 17.829 ( 5.833 -5.516 -13.291) 15.527 18.377 ( 1.999 -1.498 -7.161) 7.585 19.115 ( -3.720 2.327 3.542) 5.639 19.137 ( -1.060 0.036 -1.304) 1.681 20.227 ( 6.935 7.576 1.333) 10.357 20.421 ( 2.703 8.308 14.411) 16.852 20.686 ( 1.843 0.472 9.158) 9.354 21.064 ( 6.437 1.763 -3.236) 7.418 21.146 ( -5.346 -2.779 3.378) 6.908 21.329 ( -7.733 0.747 -3.228) 8.413 22.071 ( 2.551 -0.068 -3.024) 3.957 22.269 ( -7.029 0.043 1.335) 7.155 22.401 ( 4.142 -0.785 11.027) 11.805 22.962 ( 4.311 1.196 -17.843) 18.396 24.900 ( -2.361 -2.337 -0.066) 3.323 25.096 ( -10.109 -1.658 2.339) 10.508 25.293 ( 3.168 1.569 -1.270) 3.756 25.594 ( -8.128 -1.470 -0.626) 8.284 26.041 ( 12.422 4.880 -4.411) 14.056 26.251 ( -5.545 7.652 12.288) 15.502 27.405 ( -1.093 -1.119 3.416) 3.757 27.473 ( -1.149 -5.417 -0.857) 5.604 27.784 ( 4.791 -2.992 12.444) 13.666 28.375 ( 2.943 -3.162 -15.535) 16.124 ======================= Grid point 216 (116/128) ======================= q-point: (-0.43 -0.71 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.847 5.908 8.468) 10.360 2.673 ( -3.405 2.447 -2.747) 5.013 3.021 ( 2.091 -1.489 -7.666) 8.084 3.153 ( -13.417 -1.040 -5.685) 14.608 3.538 ( -4.787 -1.137 3.873) 6.261 3.599 ( 3.385 3.368 0.393) 4.791 4.039 ( 3.660 15.831 2.327) 16.414 4.115 ( 0.021 3.721 -0.614) 3.772 4.432 ( 8.854 12.676 3.486) 15.850 4.660 ( -4.672 5.399 -2.227) 7.479 5.118 ( -0.186 4.307 4.201) 6.020 5.320 ( 4.006 -10.484 19.115) 22.166 5.516 ( 6.836 -10.662 16.315) 20.654 5.625 ( -9.023 7.870 -3.763) 12.550 5.982 ( 16.023 -10.759 -8.173) 20.959 6.040 ( -10.947 6.499 -1.809) 12.858 6.191 ( 1.393 -8.493 4.208) 9.580 6.467 ( -18.080 -25.825 -0.814) 31.535 6.816 ( 9.406 -2.521 1.981) 9.937 7.084 ( -2.706 -7.918 3.374) 9.022 7.281 ( -0.946 -4.076 -2.361) 4.805 7.412 ( -9.829 -1.390 7.811) 12.631 7.957 ( 5.203 -1.105 -10.817) 12.054 8.086 ( -4.330 -11.255 -6.567) 13.731 8.524 ( -2.425 -4.151 7.179) 8.640 8.671 ( -0.515 -12.612 7.942) 14.914 8.886 ( -4.311 -0.895 -0.342) 4.416 9.040 ( 4.209 -8.634 -8.128) 12.583 9.372 ( 4.151 -3.898 19.594) 20.405 9.759 ( -0.188 15.378 13.274) 20.315 9.858 ( 0.328 10.920 10.445) 15.115 10.107 ( 0.515 4.015 -16.290) 16.786 10.192 ( 7.486 7.198 4.362) 11.264 10.642 ( -3.430 16.254 -1.620) 16.690 10.950 ( -4.368 6.289 -3.899) 8.592 11.122 ( 11.967 6.335 -12.196) 18.223 11.625 ( -1.003 3.094 -4.093) 5.228 11.718 ( -6.925 3.365 1.432) 7.831 12.100 ( 6.856 7.480 5.270) 11.434 12.305 ( -5.854 4.058 2.958) 7.713 13.015 ( -6.011 -3.706 13.011) 14.804 13.369 ( 1.539 -0.059 -16.668) 16.739 14.481 ( 8.177 -6.544 6.245) 12.194 14.819 ( 1.355 3.466 -10.034) 10.702 15.393 ( 11.250 -8.704 -7.844) 16.244 15.881 ( -18.219 -14.287 -12.424) 26.275 17.307 ( -1.877 -4.059 12.080) 12.881 17.616 ( -0.074 -3.530 -4.560) 5.767 17.989 ( 10.767 -4.759 -5.706) 13.082 18.343 ( -5.133 0.528 -9.081) 10.445 19.089 ( 0.206 -2.379 1.393) 2.765 19.127 ( -2.981 -2.161 0.635) 3.736 20.121 ( 4.473 16.143 8.639) 18.848 20.287 ( -0.827 11.861 2.902) 12.239 20.750 ( 3.658 0.325 8.149) 8.938 20.993 ( -3.533 4.980 -1.421) 6.269 21.175 ( -1.082 -1.585 1.946) 2.733 21.294 ( -1.631 -4.237 -2.414) 5.142 22.111 ( 5.329 -0.597 -2.182) 5.789 22.196 ( -6.994 -0.036 1.846) 7.234 22.486 ( 2.848 -0.323 11.140) 11.503 22.908 ( 1.451 2.222 -17.315) 17.517 24.943 ( 0.795 -3.498 1.475) 3.879 25.035 ( -9.201 -3.640 3.491) 10.493 25.342 ( 7.089 -0.581 0.970) 7.179 25.548 ( -8.538 -3.896 1.041) 9.443 26.029 ( 9.087 9.885 -3.581) 13.896 26.078 ( -5.461 9.021 5.964) 12.115 27.438 ( -0.010 -2.183 3.457) 4.088 27.534 ( -1.829 -4.320 -2.181) 5.173 27.949 ( 7.459 -4.639 9.576) 12.995 28.383 ( -1.966 -2.343 -13.534) 13.875 ======================= Grid point 217 (117/128) ======================= q-point: (-0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.082 -7.566 7.009) 11.973 2.616 ( -5.748 -3.256 -4.082) 7.766 3.005 ( -16.465 -3.936 1.156) 16.968 3.085 ( 5.082 -4.780 -5.987) 9.193 3.537 ( -1.354 2.354 2.320) 3.571 3.551 ( 0.831 1.986 1.244) 2.487 3.830 ( 4.317 15.856 2.934) 16.693 4.004 ( -2.197 6.033 -11.038) 12.769 4.411 ( 10.230 3.879 8.234) 13.693 4.582 ( -4.439 -1.268 -7.394) 8.717 5.073 ( 2.342 6.018 15.726) 17.000 5.351 ( -6.127 11.801 -6.822) 14.945 5.512 ( -2.522 -2.804 13.496) 14.013 5.672 ( -2.510 7.336 11.810) 14.128 5.867 ( 0.908 -3.614 0.061) 3.726 6.122 ( 7.671 -1.192 -10.899) 13.381 6.608 ( 7.530 -20.920 10.281) 24.496 6.701 ( -14.240 -23.897 -0.424) 27.821 6.933 ( 5.411 -1.198 12.477) 13.653 7.020 ( -13.437 -3.777 7.504) 15.846 7.298 ( -11.925 3.313 5.475) 13.533 7.494 ( 12.527 -2.562 -8.639) 15.431 8.085 ( 8.775 -11.614 -6.075) 15.773 8.195 ( -3.638 -13.343 -7.847) 15.901 8.539 ( -5.665 0.804 13.776) 14.917 8.810 ( -6.271 2.436 -8.060) 10.498 8.933 ( 5.649 -8.669 14.768) 18.032 9.208 ( 0.111 -7.008 1.329) 7.133 9.432 ( 3.623 12.978 -0.344) 13.479 9.502 ( 3.681 15.202 4.823) 16.368 9.731 ( -6.686 3.038 12.496) 14.494 9.913 ( -4.672 11.395 1.658) 12.427 10.138 ( 3.321 8.938 -3.832) 10.277 10.405 ( 6.511 7.187 -19.412) 21.699 10.817 ( -3.658 3.283 3.473) 6.018 11.057 ( 2.706 7.292 -12.952) 15.108 11.569 ( -6.897 1.225 10.592) 12.699 11.688 ( 1.869 -5.587 -3.709) 6.962 12.130 ( 8.573 -0.090 2.572) 8.951 12.212 ( -3.471 1.557 -4.843) 6.158 13.078 ( -3.771 -4.989 13.560) 14.933 13.333 ( 1.151 0.444 -11.706) 11.771 14.627 ( 0.826 -1.666 -2.760) 3.328 14.718 ( 4.329 5.143 -10.804) 12.724 15.710 ( 19.640 -9.179 1.357) 21.722 15.819 ( -20.370 -8.448 -8.623) 23.678 17.401 ( -0.210 -2.704 13.336) 13.609 17.664 ( 3.452 -2.855 -10.049) 11.002 18.144 ( 7.794 -3.034 -1.788) 8.553 18.223 ( -8.617 -0.293 -7.675) 11.543 19.147 ( -5.838 -5.654 4.720) 9.398 19.224 ( 6.702 -8.116 -2.002) 10.714 19.901 ( -1.472 15.608 9.413) 18.286 20.064 ( 1.179 15.424 -5.233) 16.331 20.761 ( -2.885 2.799 6.803) 7.901 20.884 ( 0.816 4.162 -4.391) 6.105 21.233 ( -1.203 -5.646 8.093) 9.941 21.352 ( -0.507 -4.881 -2.879) 5.689 22.123 ( -6.507 -0.221 2.931) 7.140 22.192 ( 8.205 0.197 -3.794) 9.042 22.539 ( 0.410 0.634 11.245) 11.270 22.821 ( 0.072 2.366 -15.488) 15.668 25.028 ( 2.102 -3.436 4.161) 5.791 25.042 ( -5.357 -6.206 2.945) 8.711 25.455 ( 7.864 -0.934 5.441) 9.608 25.532 ( -8.558 -5.804 -0.344) 10.346 25.891 ( -4.966 6.586 2.762) 8.699 25.950 ( 5.095 9.012 -3.473) 10.919 27.488 ( 1.266 -1.580 3.512) 4.054 27.547 ( -3.036 -1.636 -2.047) 4.010 28.136 ( 10.603 -2.973 4.224) 11.795 28.300 ( -6.473 2.269 -11.428) 13.329 ======================= Grid point 218 (118/128) ======================= q-point: (-0.14 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -8.814 -8.837 -2.111) 12.659 2.692 ( 2.326 -6.274 4.111) 7.854 2.986 ( -8.705 -9.617 5.973) 14.281 3.263 ( 6.753 -11.331 -1.743) 13.306 3.435 ( 0.040 7.536 3.975) 8.520 3.563 ( 1.636 0.444 -5.908) 6.146 3.711 ( 4.367 5.659 10.069) 12.348 3.876 ( -0.208 3.027 -12.267) 12.637 4.507 ( -6.455 -0.925 -11.129) 12.899 4.545 ( 10.582 -0.630 8.955) 13.877 5.053 ( -0.248 6.049 8.607) 10.523 5.121 ( -1.651 6.045 -4.098) 7.488 5.425 ( -8.712 2.615 8.555) 12.487 5.606 ( 4.123 5.948 4.096) 8.316 5.934 ( -0.614 0.674 8.959) 9.005 6.238 ( 7.236 -4.122 -3.704) 9.114 6.667 ( -20.976 -5.338 12.943) 25.220 6.934 ( -9.296 -6.220 0.311) 11.189 7.028 ( -11.437 8.715 9.351) 17.152 7.063 ( 6.158 -7.143 9.862) 13.645 7.189 ( 3.698 -7.626 1.259) 8.569 7.549 ( 15.832 7.297 -19.167) 25.909 8.359 ( -6.109 -4.508 -3.680) 8.437 8.369 ( 6.137 -8.575 3.612) 11.147 8.479 ( -9.190 -0.969 15.768) 18.276 8.634 ( -3.019 6.279 -3.678) 7.878 8.978 ( -3.042 2.411 6.764) 7.798 9.123 ( 2.114 19.529 7.805) 21.137 9.298 ( -3.746 -5.196 1.741) 6.638 9.502 ( 8.933 10.623 7.709) 15.877 9.614 ( 2.932 4.125 -11.074) 12.176 9.814 ( -2.127 -3.339 5.978) 7.171 10.017 ( 5.098 6.955 -7.135) 11.193 10.420 ( 8.618 -3.322 -19.987) 22.018 10.780 ( -5.877 -1.899 5.325) 8.155 10.950 ( 1.313 0.654 -8.058) 8.191 11.566 ( -4.406 -4.092 12.182) 13.586 11.802 ( 0.965 -5.948 0.045) 6.026 12.134 ( -6.100 -0.954 -6.342) 8.851 12.324 ( 9.292 -10.741 -1.380) 14.269 13.127 ( -5.945 -1.567 6.765) 9.141 13.330 ( 2.639 -0.697 2.303) 3.571 14.471 ( -7.127 7.633 -8.935) 13.744 14.758 ( 12.788 3.585 -11.864) 17.809 15.654 ( -19.138 -3.073 -6.295) 20.380 16.072 ( 22.116 -5.073 0.906) 22.709 17.428 ( -6.178 0.137 10.257) 11.975 17.709 ( 3.541 -1.661 -10.268) 10.988 18.136 ( -4.487 -0.977 -3.878) 6.011 18.244 ( 3.735 -0.593 -1.513) 4.074 19.175 ( -6.216 -2.885 5.952) 9.077 19.361 ( 4.485 4.253 0.620) 6.212 19.757 ( -1.293 -1.164 1.925) 2.595 19.882 ( 5.019 5.139 -4.512) 8.483 20.680 ( -4.999 3.155 6.719) 8.950 20.841 ( 3.315 3.277 -3.847) 6.044 21.352 ( -2.180 -6.906 7.645) 10.531 21.415 ( -1.635 -5.654 -1.218) 6.011 22.070 ( -4.147 0.135 1.819) 4.530 22.243 ( 6.023 2.528 -4.817) 8.116 22.544 ( -2.528 1.709 10.456) 10.892 22.770 ( 3.658 -0.213 -12.976) 13.483 25.091 ( -2.020 -4.188 3.813) 6.013 25.135 ( 1.188 -3.983 4.271) 5.959 25.481 ( -7.507 -1.765 0.289) 7.717 25.571 ( 1.556 -0.086 4.630) 4.885 25.829 ( -0.234 -4.097 0.482) 4.132 25.883 ( 3.169 3.319 -1.150) 4.731 27.506 ( -3.349 0.649 -0.272) 3.422 27.541 ( 2.551 -0.002 3.686) 4.483 28.096 ( -9.447 8.051 -8.106) 14.825 28.279 ( 11.588 1.204 -1.796) 11.788 ======================= Grid point 222 (119/128) ======================= q-point: (-0.57 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -5.965 -0.000 11.292) 12.771 2.760 ( -0.708 -0.000 -0.025) 0.708 3.005 ( 1.261 0.000 -5.461) 5.605 3.173 ( -7.306 -0.000 -7.531) 10.493 3.521 ( -5.259 -0.000 0.089) 5.260 3.599 ( 0.450 0.000 1.747) 1.804 4.262 ( 8.490 0.000 0.929) 8.541 4.422 ( -12.225 -0.000 4.221) 12.933 4.611 ( 5.683 0.000 14.954) 15.997 4.882 ( -0.934 -0.000 11.620) 11.657 5.007 ( 14.958 0.000 -5.305) 15.871 5.077 ( -3.996 -0.000 6.498) 7.628 5.346 ( 5.027 0.000 10.965) 12.062 5.593 ( 6.821 0.000 -12.444) 14.191 5.686 ( -23.998 -0.000 15.195) 28.404 5.858 ( -0.812 -0.000 2.329) 2.467 6.178 ( -5.160 -0.000 -7.443) 9.057 6.324 ( -0.352 -0.000 -18.804) 18.807 6.742 ( 14.088 0.000 7.205) 15.823 6.871 ( 7.101 0.000 -7.950) 10.660 7.324 ( -1.500 -0.000 -8.709) 8.838 7.558 ( -19.665 -0.000 -10.128) 22.120 7.562 ( -15.262 -0.000 34.011) 37.278 8.037 ( 17.789 0.000 -25.391) 31.002 8.323 ( -7.417 -0.000 19.640) 20.994 8.473 ( 2.182 0.000 -11.568) 11.772 8.836 ( -17.445 -0.000 20.971) 27.278 8.976 ( 15.631 0.000 -19.828) 25.249 9.271 ( 1.740 0.000 28.745) 28.797 10.006 ( -2.519 -0.000 21.153) 21.302 10.027 ( -2.104 -0.000 -6.290) 6.632 10.144 ( 10.873 0.000 -11.191) 15.603 10.367 ( 12.778 0.000 9.584) 15.973 10.956 ( -7.705 -0.000 17.490) 19.112 11.015 ( -4.952 -0.000 -18.721) 19.365 11.265 ( 14.067 0.000 -25.923) 29.494 11.747 ( -2.312 -0.000 2.237) 3.217 11.803 ( -3.905 -0.000 -1.764) 4.285 12.338 ( 11.392 0.000 3.167) 11.824 12.397 ( -13.727 -0.000 18.820) 23.294 12.939 ( -11.943 -0.000 16.118) 20.060 13.391 ( 9.525 0.000 -32.616) 33.978 14.243 ( 3.171 0.000 31.346) 31.506 15.058 ( 8.755 0.000 -32.410) 33.572 15.071 ( 0.349 0.000 -0.879) 0.946 15.582 ( -16.808 -0.000 -17.921) 24.570 17.213 ( -1.046 -0.000 8.360) 8.426 17.525 ( -5.573 -0.000 -4.836) 7.379 17.913 ( 16.343 0.000 -2.840) 16.588 18.321 ( -5.097 -0.000 -8.619) 10.013 19.105 ( -3.548 -0.000 3.204) 4.781 19.134 ( 0.460 0.000 -2.260) 2.306 20.380 ( 9.571 0.000 2.352) 9.856 20.533 ( -6.046 -0.000 13.411) 14.711 20.760 ( 5.971 0.000 10.462) 12.046 21.054 ( -8.120 -0.000 10.472) 13.252 21.167 ( 9.691 0.000 -7.704) 12.380 21.227 ( -8.589 -0.000 -6.542) 10.796 22.100 ( 4.920 0.000 -2.764) 5.643 22.184 ( -8.529 -0.000 2.771) 8.968 22.488 ( 4.939 0.000 10.054) 11.201 22.940 ( 1.195 0.000 -18.698) 18.736 24.880 ( 1.975 0.000 0.026) 1.975 24.979 ( -10.279 -0.000 3.226) 10.773 25.339 ( 4.571 0.000 -1.947) 4.968 25.476 ( -9.029 -0.000 -0.921) 9.076 26.230 ( 15.567 0.000 -5.561) 16.530 26.269 ( -9.750 -0.000 12.700) 16.011 27.386 ( -2.641 -0.000 4.719) 5.408 27.435 ( 2.554 0.000 -2.788) 3.781 27.841 ( 2.760 0.000 14.891) 15.144 28.318 ( 0.987 0.000 -17.251) 17.279 ======================= Grid point 223 (120/128) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -1.010 9.540 11.229) 14.769 2.713 ( -1.065 5.754 -0.695) 5.893 2.989 ( -11.512 2.126 -0.689) 11.727 3.034 ( -0.610 0.187 -3.335) 3.395 3.493 ( -3.068 -0.793 5.305) 6.179 3.618 ( 0.768 -2.666 -3.754) 4.668 4.182 ( -1.809 8.428 6.150) 10.589 4.312 ( 5.093 10.082 -5.884) 12.736 4.753 ( 0.972 10.131 2.949) 10.596 4.756 ( 1.678 8.583 7.882) 11.773 5.044 ( -7.176 -6.737 9.367) 13.588 5.229 ( 11.471 -10.412 -9.234) 18.035 5.433 ( -4.730 -3.841 30.543) 31.145 5.711 ( -5.584 -17.220 11.199) 21.287 5.820 ( 2.026 1.016 9.946) 10.201 5.869 ( -0.714 -15.173 -12.329) 19.563 6.055 ( -4.602 -2.808 -6.541) 8.476 6.225 ( 6.793 6.533 -27.137) 28.727 6.885 ( 3.772 -0.379 4.172) 5.637 6.978 ( -0.962 -4.652 -2.136) 5.209 7.238 ( -11.073 4.155 9.190) 14.978 7.330 ( 5.954 -3.945 -3.159) 7.810 7.673 ( -14.688 -14.392 9.078) 22.478 8.108 ( 12.380 1.932 -17.840) 21.800 8.382 ( -7.531 -9.135 13.090) 17.650 8.549 ( 9.025 -5.545 -8.130) 13.353 8.731 ( -17.013 -4.024 16.985) 24.375 9.092 ( 15.654 0.324 -16.379) 22.659 9.404 ( -0.190 -3.757 28.218) 28.468 9.909 ( -5.727 3.747 -9.738) 11.902 10.007 ( -4.028 5.163 16.157) 17.433 10.170 ( 5.508 6.887 -1.410) 8.930 10.485 ( 13.887 7.582 6.842) 17.238 10.773 ( -7.941 9.648 -9.231) 15.536 10.922 ( -8.732 0.088 -1.206) 8.815 11.294 ( 11.408 5.775 -20.302) 23.993 11.676 ( -1.284 4.356 3.329) 5.630 11.725 ( -4.950 4.999 0.375) 7.045 12.287 ( -2.955 5.546 10.994) 12.663 12.397 ( 7.567 8.420 -0.617) 11.338 12.913 ( -8.351 -5.159 17.319) 19.908 13.374 ( 8.395 2.616 -25.894) 27.346 14.434 ( -0.816 -8.767 22.266) 23.944 14.892 ( 1.940 7.751 -16.418) 18.259 15.291 ( 8.068 -13.928 -3.616) 16.497 15.449 ( -13.374 -10.398 -16.323) 23.525 17.287 ( 3.928 -2.717 9.231) 10.394 17.505 ( 0.176 -5.297 -10.597) 11.849 18.084 ( 12.871 -0.807 0.886) 12.926 18.209 ( -11.864 -1.078 -9.849) 15.457 19.078 ( -0.928 0.342 2.414) 2.609 19.120 ( 0.945 1.726 -1.656) 2.572 20.388 ( -6.076 10.178 9.128) 14.961 20.454 ( 7.119 6.483 2.038) 9.842 20.847 ( 3.878 2.456 11.271) 12.170 20.988 ( -6.053 2.179 5.741) 8.622 21.131 ( -6.688 -2.079 -2.212) 7.344 21.241 ( 5.687 -1.398 -7.060) 9.173 22.106 ( -7.123 -0.313 3.063) 7.760 22.167 ( 6.870 -1.086 -3.012) 7.580 22.562 ( 2.977 0.506 10.786) 11.200 22.872 ( -1.380 0.742 -18.309) 18.376 24.905 ( -7.773 -2.235 3.791) 8.933 24.935 ( 4.605 -1.782 1.332) 5.114 25.394 ( -0.398 -1.415 0.695) 1.626 25.410 ( -1.025 -2.149 -0.788) 2.508 26.139 ( -10.410 6.039 8.815) 14.918 26.297 ( 12.830 9.452 -6.041) 17.042 27.403 ( -0.944 -3.048 3.779) 4.946 27.473 ( 1.539 -2.123 -2.636) 3.718 27.959 ( 3.110 -5.446 13.454) 14.844 28.275 ( -2.329 -1.795 -16.306) 16.568 ======================= Grid point 224 (121/128) ======================= q-point: (-0.29 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 3.376 1.123 9.292) 9.950 2.556 ( -4.423 6.815 -4.483) 9.279 2.843 ( -9.469 -0.676 8.705) 12.880 3.086 ( 4.102 -2.193 0.847) 4.728 3.496 ( -2.217 -0.778 6.257) 6.684 3.644 ( 3.153 1.936 -3.505) 5.096 4.062 ( -0.162 8.817 -0.255) 8.822 4.139 ( 3.041 13.438 -3.857) 14.307 4.536 ( -5.099 6.216 -5.774) 9.898 4.657 ( 7.989 11.258 -0.075) 13.805 5.164 ( -4.800 -7.957 11.554) 14.828 5.330 ( -3.898 5.872 4.197) 8.203 5.559 ( -2.154 -1.581 17.368) 17.572 5.739 ( -12.534 -0.592 -9.307) 15.623 5.802 ( 3.245 -4.056 8.721) 10.151 6.061 ( -7.655 -11.595 -8.677) 16.381 6.226 ( 12.706 -9.808 -1.446) 16.116 6.427 ( 13.530 -20.612 5.576) 25.279 6.856 ( -14.680 -3.146 9.494) 17.763 6.934 ( -4.624 -3.202 0.176) 5.628 7.194 ( -8.035 -1.766 8.672) 11.953 7.570 ( 16.526 -4.249 -9.705) 19.630 7.798 ( -3.054 -17.007 -2.041) 17.399 8.161 ( 7.546 -0.132 -3.155) 8.180 8.471 ( -11.575 -6.567 20.175) 24.169 8.639 ( -5.965 -6.452 -5.935) 10.603 8.841 ( 7.212 -11.997 -0.672) 14.014 9.195 ( 9.606 -1.086 -9.700) 13.694 9.540 ( -4.312 -4.092 22.109) 22.894 9.699 ( -8.573 10.891 -4.058) 14.442 9.845 ( -3.220 12.102 5.516) 13.684 10.068 ( 0.355 9.997 1.982) 10.198 10.456 ( 12.587 17.189 1.177) 21.337 10.514 ( -0.171 8.557 -16.612) 18.687 10.808 ( -9.887 1.467 6.070) 11.694 11.189 ( 4.132 10.271 -16.050) 19.498 11.558 ( -7.757 6.029 3.336) 10.375 11.670 ( 3.701 -0.508 5.317) 6.499 12.233 ( 1.736 3.833 -4.882) 6.445 12.294 ( 3.923 9.220 4.448) 10.963 13.017 ( 0.798 -5.299 12.612) 13.703 13.338 ( 4.480 1.782 -14.676) 15.448 14.547 ( -7.003 -2.421 2.557) 7.838 14.788 ( 3.688 0.696 -9.148) 9.889 15.431 ( -14.169 -10.888 -11.352) 21.170 15.696 ( 16.146 -17.959 4.698) 24.603 17.401 ( 2.553 -2.571 7.670) 8.483 17.625 ( 9.549 -6.173 -11.198) 15.959 18.037 ( -16.060 -1.427 -8.305) 18.137 18.207 ( 6.412 -0.461 2.586) 6.929 19.086 ( 0.053 0.824 1.145) 1.412 19.153 ( 4.388 -6.302 -1.387) 7.804 20.125 ( -8.935 14.681 6.874) 18.510 20.363 ( 7.037 15.907 -1.379) 17.449 20.793 ( -6.361 4.137 7.763) 10.856 20.927 ( -0.050 2.400 -2.015) 3.134 21.165 ( -0.644 -5.198 7.618) 9.245 21.289 ( 2.068 -1.894 -4.498) 5.300 22.055 ( -5.483 -0.764 2.867) 6.235 22.259 ( 7.690 -1.038 -4.060) 8.757 22.601 ( 0.134 1.429 11.570) 11.659 22.780 ( -2.040 0.592 -16.541) 16.677 24.913 ( -3.578 -4.884 4.008) 7.261 25.033 ( 4.674 -2.714 3.847) 6.634 25.362 ( -6.935 -2.905 -0.526) 7.537 25.528 ( 8.179 -3.510 2.499) 9.245 25.937 ( -9.522 7.715 4.835) 13.175 26.190 ( 6.408 13.862 -4.101) 15.812 27.467 ( -0.049 -3.173 2.614) 4.111 27.506 ( 1.277 -1.549 -1.153) 2.315 28.151 ( 3.444 -7.179 4.818) 9.306 28.207 ( -3.435 -1.334 -11.639) 12.208 ======================= Grid point 225 (122/128) ======================= q-point: (-0.14 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -6.522 -0.571 -1.412) 6.697 2.653 ( 4.735 -5.300 4.301) 8.307 2.860 ( -0.092 -4.429 10.719) 11.598 3.195 ( 3.370 -5.545 4.803) 8.073 3.505 ( -1.441 -0.894 1.184) 2.068 3.582 ( 0.163 7.641 1.053) 7.715 3.893 ( -0.049 7.978 -8.322) 11.528 3.991 ( 5.437 9.851 3.405) 11.756 4.404 ( -4.280 1.224 -12.216) 13.002 4.657 ( 7.742 0.790 1.009) 7.848 5.104 ( -7.763 4.003 -8.006) 11.849 5.268 ( 2.612 8.438 14.427) 16.916 5.385 ( -11.208 4.057 8.248) 14.495 5.759 ( 3.915 0.335 3.619) 5.342 5.968 ( 1.541 -6.729 10.494) 12.561 6.057 ( -6.052 -8.019 -15.618) 18.570 6.431 ( -12.197 0.009 17.063) 20.974 6.759 ( 9.416 -14.087 3.942) 17.397 6.908 ( -10.706 -5.002 -4.872) 12.782 7.084 ( 3.276 -15.579 17.779) 23.865 7.128 ( -4.469 2.498 11.922) 12.975 7.692 ( 10.676 -1.348 -17.869) 20.859 8.076 ( 0.113 -14.857 -5.749) 15.931 8.305 ( 5.671 -7.307 7.044) 11.626 8.454 ( -9.491 0.451 15.361) 18.062 8.664 ( -0.210 -4.372 -5.811) 7.275 9.030 ( -1.719 5.720 -3.432) 6.889 9.185 ( -3.365 -0.134 0.174) 3.372 9.404 ( 0.095 7.031 -1.482) 7.186 9.644 ( -7.921 -2.181 22.090) 23.569 9.725 ( 9.397 1.850 -4.859) 10.739 9.854 ( -1.980 14.247 -2.911) 14.675 10.232 ( 4.745 15.675 -10.996) 19.726 10.481 ( 13.073 3.186 -8.165) 15.739 10.705 ( -10.953 1.013 6.688) 12.874 11.001 ( 0.661 8.253 -9.407) 12.532 11.469 ( -6.633 -3.494 9.143) 11.824 11.762 ( 4.283 -1.963 2.298) 5.242 12.101 ( -4.112 5.213 -7.379) 9.926 12.324 ( 7.946 -0.862 -0.776) 8.030 13.103 ( 1.269 0.634 2.027) 2.474 13.354 ( 2.591 -1.760 3.700) 4.847 14.433 ( -6.215 2.309 -9.192) 11.334 14.847 ( 5.820 -1.600 -8.296) 10.260 15.382 ( -12.848 -5.857 -6.894) 15.713 16.166 ( 17.862 -13.275 5.032) 22.816 17.430 ( -2.306 2.990 4.299) 5.722 17.698 ( -0.631 1.824 -8.482) 8.699 17.989 ( -0.518 -10.063 -4.819) 11.170 18.260 ( 0.675 -0.635 2.165) 2.355 19.090 ( -1.484 -1.706 3.431) 4.109 19.366 ( 7.279 -10.688 -3.914) 13.511 19.805 ( -8.713 13.920 4.125) 16.932 20.141 ( 4.743 16.526 -3.004) 17.454 20.696 ( -4.998 3.118 8.052) 9.977 20.891 ( 0.560 1.045 -3.478) 3.675 21.278 ( 0.095 -4.102 8.630) 9.556 21.324 ( 0.125 -3.163 -2.420) 3.984 22.030 ( -2.743 -0.831 1.937) 3.459 22.304 ( 2.581 1.344 -5.348) 6.089 22.590 ( -3.016 2.828 11.565) 12.282 22.742 ( 3.281 -2.373 -13.892) 14.470 24.996 ( 0.147 -5.873 3.777) 6.985 25.130 ( 0.511 -2.422 7.217) 7.630 25.338 ( -4.153 -2.839 -3.263) 5.996 25.669 ( 3.881 1.606 7.916) 8.961 25.764 ( -3.929 -0.150 -1.096) 4.081 26.021 ( 1.704 10.434 -2.125) 10.784 27.481 ( -1.800 -0.217 0.484) 1.876 27.574 ( 4.244 -1.836 3.124) 5.580 28.054 ( -8.374 3.214 -11.133) 14.297 28.357 ( 7.265 -4.690 0.264) 8.652 ======================= Grid point 230 (123/128) ======================= q-point: (-0.43 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.449 0.000 8.415) 8.427 2.783 ( 0.783 0.000 5.073) 5.133 2.875 ( -15.275 -0.000 4.174) 15.835 3.023 ( -0.754 -0.000 2.579) 2.687 3.510 ( 3.062 0.000 6.588) 7.264 3.566 ( 0.091 0.000 -2.363) 2.364 4.238 ( -7.130 -0.000 2.512) 7.559 4.464 ( 9.255 0.000 3.661) 9.953 4.802 ( -0.490 -0.000 1.207) 1.302 4.876 ( -0.789 -0.000 1.520) 1.712 4.993 ( -1.433 -0.000 4.141) 4.382 5.181 ( -2.553 -0.000 -4.287) 4.990 5.318 ( -10.773 -0.000 12.559) 16.547 5.677 ( 12.980 0.000 25.636) 28.734 5.693 ( -0.630 -0.000 -2.359) 2.442 5.815 ( -9.490 -0.000 -18.857) 21.110 6.057 ( 10.630 0.000 9.772) 14.440 6.299 ( 12.288 0.000 -27.312) 29.949 6.846 ( -11.156 -0.000 -3.214) 11.610 6.860 ( -12.263 -0.000 -3.054) 12.638 7.244 ( 1.963 0.000 -4.058) 4.508 7.423 ( -16.092 -0.000 26.506) 31.009 7.448 ( 19.650 0.000 4.620) 20.186 8.194 ( 11.401 0.000 -22.772) 25.467 8.266 ( -6.291 -0.000 13.402) 14.805 8.546 ( -20.980 -0.000 21.576) 30.094 8.606 ( 14.571 0.000 -11.750) 18.718 9.206 ( 12.652 0.000 -15.249) 19.814 9.444 ( -4.667 -0.000 31.260) 31.607 9.808 ( -5.635 -0.000 -20.244) 21.014 10.054 ( -6.192 -0.000 17.283) 18.359 10.268 ( -0.084 -0.000 -0.241) 0.255 10.700 ( -0.493 -0.000 18.085) 18.092 10.729 ( -3.657 -0.000 -28.902) 29.132 10.806 ( -2.165 -0.000 5.633) 6.035 11.396 ( 9.070 0.000 -22.087) 23.876 11.710 ( -1.053 -0.000 6.619) 6.703 11.751 ( -0.868 -0.000 1.573) 1.797 12.313 ( -3.451 -0.000 6.712) 7.548 12.631 ( 15.470 0.000 -3.819) 15.934 12.798 ( -11.418 -0.000 23.488) 26.116 13.433 ( 12.498 0.000 -30.483) 32.946 14.387 ( -9.056 -0.000 30.989) 32.285 14.903 ( -3.009 -0.000 -28.315) 28.475 15.205 ( -6.817 -0.000 -15.936) 17.333 15.252 ( 11.916 0.000 12.782) 17.475 17.384 ( 11.195 0.000 6.524) 12.957 17.430 ( 2.876 0.000 -11.722) 12.069 18.009 ( -16.467 -0.000 -9.903) 19.216 18.206 ( 8.833 0.000 1.584) 8.974 19.081 ( -0.556 -0.000 2.747) 2.803 19.158 ( 3.338 0.000 -1.785) 3.786 20.370 ( -11.803 -0.000 4.402) 12.597 20.634 ( 11.167 0.000 2.781) 11.508 20.916 ( -6.805 -0.000 14.143) 15.695 20.976 ( -10.023 -0.000 -8.301) 13.014 21.044 ( 6.100 0.000 11.930) 13.399 21.266 ( 4.559 0.000 -9.602) 10.629 22.041 ( -5.579 -0.000 3.021) 6.345 22.231 ( 7.621 0.000 -2.474) 8.012 22.624 ( 0.860 0.000 10.978) 11.011 22.791 ( -3.226 -0.000 -18.171) 18.456 24.830 ( -4.572 -0.000 4.332) 6.298 24.986 ( 5.078 0.000 2.987) 5.891 25.321 ( -3.457 -0.000 -0.323) 3.472 25.458 ( 6.320 0.000 0.786) 6.368 26.088 ( -12.347 -0.000 7.887) 14.651 26.512 ( 13.958 0.000 -10.171) 17.270 27.365 ( -2.073 -0.000 3.792) 4.322 27.475 ( 3.276 0.000 -3.691) 4.935 27.966 ( -0.774 -0.000 16.081) 16.099 28.175 ( -3.642 -0.000 -16.737) 17.128 ======================= Grid point 231 (124/128) ======================= q-point: (-0.29 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -6.297 8.054 6.769) 12.261 2.709 ( 2.968 8.394 7.445) 11.606 2.823 ( 0.381 -0.092 10.444) 10.451 3.061 ( -1.364 -4.244 5.087) 6.763 3.524 ( 0.961 2.036 5.453) 5.899 3.654 ( 4.018 -4.125 -1.144) 5.871 4.144 ( -3.939 3.228 -1.000) 5.190 4.406 ( 5.284 17.405 -4.912) 18.841 4.602 ( -9.030 11.742 -2.045) 14.953 4.854 ( -2.760 -2.298 2.974) 4.663 4.990 ( 0.826 4.433 2.961) 5.394 5.347 ( -10.047 -15.009 18.092) 25.564 5.387 ( 0.489 -15.676 -12.751) 20.213 5.518 ( -7.033 3.695 -5.637) 9.741 5.720 ( -0.924 3.650 7.756) 8.622 6.122 ( 15.753 -8.334 14.968) 23.273 6.201 ( 7.737 -8.329 -0.413) 11.376 6.375 ( 14.839 -3.670 -5.599) 16.279 6.694 ( -12.112 1.122 2.433) 12.405 6.733 ( -13.640 -5.452 -9.040) 17.248 7.207 ( -0.676 3.877 10.137) 10.874 7.473 ( -6.191 -10.792 1.852) 12.579 7.714 ( 15.496 -5.607 0.221) 16.481 8.241 ( 6.513 -0.207 -1.993) 6.814 8.295 ( -6.652 -4.323 14.590) 16.607 8.454 ( -10.125 -6.398 7.163) 13.955 8.789 ( 14.562 -7.296 -12.558) 20.566 9.257 ( 6.524 0.844 -11.886) 13.585 9.483 ( -10.036 -1.314 26.253) 28.136 9.672 ( -6.078 2.312 -13.783) 15.240 9.964 ( -7.353 6.434 5.537) 11.230 10.188 ( -3.343 5.013 -2.000) 6.349 10.508 ( -9.541 6.270 -7.170) 13.482 10.681 ( -9.721 -3.425 0.884) 10.345 10.875 ( 15.302 9.606 3.159) 18.341 11.326 ( 2.295 7.329 -18.550) 20.077 11.639 ( -2.338 9.920 2.709) 10.546 11.751 ( 3.072 1.523 7.563) 8.304 12.283 ( 0.088 2.140 -3.933) 4.479 12.533 ( 1.188 14.522 10.762) 18.114 12.990 ( 7.359 -10.396 10.297) 16.379 13.407 ( 8.239 6.281 -22.307) 24.595 14.421 ( -11.181 -5.432 17.135) 21.169 14.760 ( -1.947 0.144 -18.359) 18.462 15.154 ( -3.698 -4.969 -11.041) 12.660 15.601 ( 15.817 -16.291 12.655) 25.995 17.432 ( 5.317 -0.131 -3.768) 6.518 17.613 ( 11.062 -8.455 -0.989) 13.958 17.801 ( -14.890 -0.142 -10.311) 18.113 18.271 ( 2.542 0.789 2.114) 3.399 19.104 ( 1.663 -2.354 1.626) 3.309 19.169 ( 4.290 3.139 -1.494) 5.521 20.197 ( -11.868 6.797 3.957) 14.237 20.646 ( 3.264 11.798 -3.122) 12.633 20.799 ( -4.482 2.531 2.507) 5.725 20.904 ( -8.684 -1.371 3.875) 9.608 21.170 ( 8.029 -0.830 9.113) 12.174 21.286 ( 2.825 -0.786 -5.394) 6.140 22.007 ( -3.116 -0.426 3.080) 4.402 22.306 ( 5.482 -0.641 -2.959) 6.263 22.648 ( -1.913 0.853 11.192) 11.387 22.699 ( -2.602 -0.447 -16.309) 16.521 24.843 ( 0.016 -2.975 4.919) 5.749 25.050 ( 1.000 -1.796 6.106) 6.442 25.309 ( 2.121 0.734 -1.960) 2.980 25.560 ( 6.761 -3.281 2.318) 7.864 25.939 ( -11.333 4.442 5.391) 13.313 26.477 ( 7.210 14.480 -8.849) 18.437 27.408 ( -0.599 -4.980 1.979) 5.392 27.510 ( 4.275 -0.852 -2.982) 5.282 28.050 ( -4.346 -3.747 -0.257) 5.744 28.104 ( -1.963 -5.679 -2.777) 6.619 ======================= Grid point 232 (125/128) ======================= q-point: (-0.14 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.091 6.714 6.869) 9.606 2.684 ( 4.236 1.960 6.358) 7.887 2.898 ( 7.205 -0.203 7.973) 10.748 3.151 ( -0.463 -5.621 8.835) 10.482 3.505 ( -1.823 1.675 2.574) 3.571 3.696 ( 2.667 4.010 -1.280) 4.983 3.998 ( -4.685 10.376 -7.223) 13.482 4.150 ( -2.071 8.926 -2.299) 9.447 4.385 ( -3.389 5.261 -8.122) 10.253 4.797 ( 5.814 7.617 -1.227) 9.661 4.984 ( -6.418 -4.650 -2.720) 8.379 5.366 ( -12.347 5.565 -9.710) 16.664 5.408 ( -3.394 0.275 21.654) 21.921 5.557 ( -5.193 -12.739 -0.334) 13.761 5.807 ( 7.518 -6.820 2.973) 10.577 6.194 ( 6.959 7.007 7.771) 12.566 6.457 ( -2.107 4.311 17.252) 17.907 6.615 ( -11.565 -10.811 20.578) 25.963 6.704 ( 10.166 -11.243 -24.377) 28.705 6.833 ( 3.950 -24.304 10.025) 26.585 7.185 ( 0.085 3.707 8.540) 9.310 7.587 ( -0.199 -10.751 -12.991) 16.864 7.937 ( 8.093 -7.995 -3.174) 11.810 8.285 ( -12.919 -6.444 25.869) 29.625 8.397 ( 7.268 -1.393 7.612) 10.617 8.548 ( 3.834 -7.442 -8.071) 11.629 9.029 ( 9.793 -7.422 -10.853) 16.395 9.235 ( -2.282 7.267 -4.100) 8.650 9.371 ( -8.556 0.896 -4.988) 9.944 9.554 ( -10.685 -2.021 17.904) 20.948 9.815 ( -2.250 4.503 -2.062) 5.440 10.033 ( -2.934 10.167 -5.458) 11.907 10.322 ( -5.256 2.417 -11.967) 13.292 10.597 ( -10.415 2.728 2.510) 11.055 10.833 ( 13.694 13.479 1.610) 19.282 11.141 ( 0.130 10.725 -13.763) 17.449 11.460 ( -2.577 7.961 10.186) 13.182 11.806 ( 3.438 -0.985 4.843) 6.020 12.163 ( -1.879 9.663 -6.382) 11.732 12.435 ( 4.982 5.085 3.349) 7.867 13.193 ( 8.631 3.218 -2.940) 9.669 13.343 ( -0.192 -2.229 2.267) 3.185 14.380 ( -3.806 0.256 -5.864) 6.996 14.777 ( -1.306 -7.029 -8.079) 10.788 15.185 ( -0.731 -5.039 -4.666) 6.906 16.093 ( 13.458 -18.062 9.035) 24.269 17.464 ( -2.297 0.907 -0.701) 2.567 17.629 ( -8.209 -1.856 -6.481) 10.623 17.892 ( 14.703 -7.611 -4.132) 17.063 18.254 ( -3.405 0.968 3.596) 5.046 19.137 ( 3.697 4.207 0.276) 5.607 19.245 ( 4.315 -9.999 -2.627) 11.202 19.930 ( -11.175 12.335 4.986) 17.376 20.389 ( -4.072 14.362 -7.729) 16.810 20.747 ( 0.494 4.558 4.758) 6.607 20.847 ( -6.027 -1.924 0.293) 6.333 21.298 ( 7.114 -1.234 6.346) 9.613 21.308 ( 1.493 0.365 -0.000) 1.537 22.004 ( -0.983 -0.747 2.564) 2.845 22.312 ( -1.738 1.229 -4.065) 4.589 22.628 ( -4.434 2.095 11.292) 12.311 22.685 ( 3.830 -3.757 -13.506) 14.533 24.948 ( 4.053 -4.872 5.433) 8.348 25.094 ( -3.837 -2.358 7.850) 9.050 25.323 ( 4.597 1.489 -2.214) 5.315 25.699 ( 3.529 -4.331 -0.326) 5.597 25.766 ( -5.601 5.487 5.895) 9.810 26.229 ( -0.666 16.293 -4.420) 16.895 27.459 ( -0.748 -1.499 0.490) 1.745 27.601 ( 7.319 -3.071 -0.020) 7.938 27.953 ( -7.770 0.299 -11.909) 14.223 28.284 ( 1.252 -10.850 2.896) 11.300 ======================= Grid point 238 (126/128) ======================= q-point: (-0.29 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -6.794 -0.000 15.657) 17.067 2.840 ( -0.735 -0.000 11.111) 11.135 2.901 ( 9.879 0.000 7.844) 12.615 3.009 ( -1.756 -0.000 5.882) 6.139 3.597 ( 2.469 0.000 0.806) 2.597 3.615 ( 0.919 0.000 0.150) 0.931 4.090 ( -6.395 -0.000 -3.917) 7.500 4.572 ( -10.260 -0.000 -4.398) 11.163 4.709 ( 4.032 0.000 9.345) 10.178 4.868 ( 0.733 0.000 -4.735) 4.792 4.893 ( -10.820 -0.000 -11.748) 15.972 5.091 ( -2.568 -0.000 9.650) 9.986 5.290 ( 0.480 0.000 5.932) 5.951 5.599 ( 9.231 0.000 -11.757) 14.947 5.782 ( 3.201 0.000 3.585) 4.806 6.080 ( 6.591 0.000 13.612) 15.124 6.329 ( 6.930 0.000 13.879) 15.513 6.454 ( -21.342 -0.000 1.941) 21.430 6.488 ( 12.817 0.000 -12.265) 17.740 6.677 ( 3.481 0.000 -1.668) 3.860 7.262 ( -10.460 -0.000 21.041) 23.497 7.329 ( 5.333 0.000 -9.666) 11.039 7.782 ( 4.239 0.000 4.903) 6.481 8.224 ( -14.813 -0.000 18.920) 24.029 8.282 ( 9.885 0.000 -20.964) 23.177 8.421 ( 7.130 0.000 25.808) 26.774 8.828 ( 13.360 0.000 -21.182) 25.044 9.268 ( 2.017 0.000 -11.692) 11.864 9.453 ( -13.124 -0.000 32.029) 34.614 9.590 ( -1.526 -0.000 -21.212) 21.267 9.917 ( -11.457 -0.000 -0.178) 11.459 10.128 ( -9.556 -0.000 -6.812) 11.735 10.454 ( -20.660 -0.000 28.823) 35.463 10.553 ( 5.157 0.000 -27.796) 28.271 11.104 ( 10.339 0.000 3.715) 10.986 11.312 ( -3.819 -0.000 -17.715) 18.122 11.774 ( 0.447 0.000 8.726) 8.737 11.784 ( 3.303 0.000 -2.561) 4.179 12.287 ( 1.697 0.000 -3.784) 4.147 12.808 ( -2.725 -0.000 27.767) 27.900 12.917 ( 10.695 0.000 -2.775) 11.049 13.517 ( 13.578 0.000 -32.014) 34.775 14.273 ( -19.020 -0.000 31.514) 36.809 14.626 ( -3.277 -0.000 -34.130) 34.287 15.147 ( 8.849 0.000 -2.092) 9.093 15.699 ( 17.913 0.000 17.965) 25.369 17.465 ( -19.168 -0.000 3.929) 19.567 17.487 ( 8.087 0.000 -10.201) 13.018 17.807 ( 15.828 0.000 -6.966) 17.293 18.287 ( -1.412 -0.000 -0.990) 1.724 19.095 ( -0.442 -0.000 2.121) 2.167 19.250 ( 5.418 0.000 -1.989) 5.772 20.129 ( -11.891 -0.000 4.761) 12.808 20.672 ( -11.297 -0.000 -10.587) 15.482 20.780 ( -11.101 -0.000 10.900) 15.558 20.853 ( 6.684 0.000 -4.224) 7.907 21.292 ( 4.022 0.000 -3.757) 5.504 21.316 ( 10.478 0.000 9.813) 14.356 21.993 ( -1.100 -0.000 3.396) 3.570 22.329 ( 0.370 0.000 -2.906) 2.929 22.623 ( 0.286 0.000 -14.857) 14.860 22.659 ( -4.218 -0.000 11.596) 12.339 24.860 ( 4.247 0.000 5.674) 7.087 25.044 ( -2.761 -0.000 8.189) 8.642 25.386 ( 9.404 0.000 -3.410) 10.003 25.600 ( 4.023 0.000 3.939) 5.630 25.870 ( -9.765 -0.000 4.560) 10.777 26.659 ( 6.004 0.000 -15.363) 16.494 27.340 ( -2.238 -0.000 3.100) 3.823 27.553 ( 6.925 0.000 -4.852) 8.456 27.960 ( -6.102 -0.000 -14.963) 16.159 28.006 ( -5.192 -0.000 15.860) 16.688 ======================= Grid point 239 (127/128) ======================= q-point: (-0.14 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -0.952 3.936 17.716) 18.173 2.825 ( 2.344 5.270 6.736) 8.868 3.032 ( 9.801 0.730 4.857) 10.963 3.077 ( 0.374 -5.422 11.040) 12.306 3.520 ( -2.649 4.108 -2.391) 5.441 3.722 ( 2.740 -4.793 -2.197) 5.942 3.991 ( -7.194 2.009 -7.182) 10.362 4.338 ( -5.912 19.193 -14.383) 24.702 4.405 ( -7.524 8.136 3.277) 11.556 4.855 ( 3.012 -0.623 6.440) 7.137 5.019 ( -4.271 2.844 -2.595) 5.750 5.181 ( 1.311 -8.808 -11.096) 14.227 5.272 ( -5.006 -3.555 13.712) 15.024 5.579 ( 2.243 5.856 -2.109) 6.616 5.879 ( 8.002 -0.129 6.073) 10.046 6.273 ( -9.375 -7.022 12.914) 17.435 6.313 ( -12.307 -7.844 10.833) 18.175 6.502 ( 10.658 -14.473 1.885) 18.072 6.644 ( 5.838 -4.407 4.847) 8.775 6.723 ( 15.706 2.256 -2.103) 16.006 7.255 ( -1.985 0.249 10.976) 11.157 7.398 ( 3.794 -6.610 -14.094) 16.023 7.859 ( -3.817 -6.515 10.066) 12.584 8.174 ( -5.412 -2.333 25.655) 26.323 8.393 ( 6.032 -8.165 -16.571) 19.433 8.593 ( 9.707 1.694 19.560) 21.902 8.949 ( 8.674 -8.154 -24.995) 27.686 9.253 ( 1.880 -0.113 -6.582) 6.846 9.359 ( -9.839 7.135 10.799) 16.258 9.465 ( -10.076 2.135 1.488) 10.407 9.787 ( -8.656 -0.678 -4.981) 10.010 9.992 ( -10.523 -1.405 -10.952) 15.253 10.281 ( -14.294 6.079 18.142) 23.883 10.551 ( 4.092 -0.119 -18.842) 19.282 11.101 ( 1.414 8.815 -2.170) 9.188 11.187 ( -3.149 3.524 -9.403) 10.524 11.683 ( 2.688 10.458 4.161) 11.572 11.829 ( 0.093 0.163 3.255) 3.260 12.290 ( 6.148 5.199 -4.799) 9.373 12.647 ( 1.631 15.077 12.254) 19.497 13.203 ( 2.610 -13.023 8.896) 15.986 13.430 ( 6.733 12.797 -19.383) 24.183 14.251 ( -10.551 -8.571 9.511) 16.591 14.563 ( -2.813 -8.680 -23.969) 25.647 15.250 ( 15.121 3.612 1.821) 15.653 16.033 ( 12.402 -10.215 12.370) 20.277 17.319 ( -13.702 -4.894 5.153) 15.436 17.571 ( 6.562 -2.585 -6.148) 9.356 17.984 ( 16.092 -1.793 -6.782) 17.554 18.235 ( -4.968 1.228 -1.561) 5.350 19.129 ( -0.874 -5.567 0.327) 5.645 19.263 ( 4.463 4.106 -2.353) 6.505 19.977 ( -10.591 6.373 7.782) 14.606 20.447 ( -10.165 7.656 -9.563) 15.918 20.724 ( -8.713 -3.193 4.688) 10.397 20.847 ( 2.035 3.914 -5.909) 7.374 21.346 ( 5.616 0.223 1.566) 5.835 21.437 ( 9.717 2.497 6.711) 12.071 22.001 ( -0.032 -0.316 3.239) 3.255 22.277 ( -5.540 0.842 -3.831) 6.788 22.631 ( -2.877 0.097 5.178) 5.925 22.638 ( 2.298 -1.963 -5.572) 6.339 24.968 ( 7.479 -2.901 6.106) 10.081 25.051 ( -3.221 -1.269 8.838) 9.492 25.437 ( 6.995 4.675 -1.720) 8.588 25.652 ( -2.168 -2.479 0.042) 3.293 25.805 ( -0.266 1.211 6.063) 6.189 26.470 ( -2.187 17.568 -10.330) 20.496 27.399 ( -0.740 -5.738 0.408) 5.800 27.639 ( 8.752 -2.556 -4.628) 10.225 27.840 ( -5.856 0.588 -11.116) 12.578 28.091 ( -5.387 -11.244 8.868) 15.300 ======================= Grid point 246 (128/128) ======================= q-point: (-0.14 -0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -2.522 -0.000 19.219) 19.384 2.883 ( -1.874 -0.000 10.150) 10.321 3.049 ( 0.531 0.000 9.552) 9.567 3.202 ( 12.547 0.000 2.775) 12.851 3.553 ( -0.910 -0.000 -8.296) 8.346 3.656 ( 1.724 0.000 1.979) 2.625 3.916 ( -5.357 -0.000 -8.815) 10.315 4.287 ( -10.450 -0.000 -10.233) 14.626 4.560 ( -5.179 -0.000 -3.290) 6.135 4.820 ( -5.356 -0.000 -1.457) 5.551 4.944 ( 4.099 0.000 9.675) 10.507 5.166 ( 5.433 0.000 -1.734) 5.703 5.335 ( -4.459 -0.000 10.407) 11.322 5.588 ( -1.753 -0.000 -7.342) 7.548 6.016 ( -11.135 -0.000 0.909) 11.172 6.016 ( 11.990 0.000 -4.009) 12.643 6.252 ( -0.673 -0.000 27.447) 27.455 6.511 ( 5.257 0.000 0.786) 5.315 6.603 ( -3.096 -0.000 3.482) 4.659 6.954 ( 18.025 0.000 -2.405) 18.185 7.274 ( -0.728 -0.000 12.666) 12.687 7.371 ( 8.765 0.000 -14.240) 16.721 7.772 ( -10.142 -0.000 19.688) 22.147 8.237 ( 1.477 0.000 36.659) 36.689 8.331 ( 5.741 0.000 -13.422) 14.598 8.807 ( 10.394 0.000 19.587) 22.174 8.825 ( 3.961 0.000 -38.441) 38.645 9.280 ( 5.528 0.000 -5.127) 7.540 9.336 ( -13.298 -0.000 25.610) 28.856 9.473 ( 3.573 0.000 -21.116) 21.416 9.529 ( -23.529 -0.000 -3.836) 23.840 9.831 ( -9.455 -0.000 -12.574) 15.732 10.245 ( -14.955 -0.000 25.721) 29.753 10.563 ( 10.400 0.000 -27.818) 29.699 11.110 ( -3.919 -0.000 -9.638) 10.404 11.180 ( -4.043 -0.000 1.253) 4.233 11.778 ( -5.041 -0.000 9.024) 10.336 11.833 ( 3.932 0.000 -6.954) 7.988 12.433 ( 12.131 0.000 0.126) 12.132 12.974 ( 1.022 0.000 22.125) 22.148 12.987 ( -4.247 -0.000 0.916) 4.345 13.605 ( 13.790 0.000 -34.646) 37.290 14.004 ( -23.364 -0.000 31.321) 39.075 14.391 ( 4.512 0.000 -35.443) 35.729 15.522 ( 22.336 0.000 3.153) 22.557 16.107 ( 5.353 0.000 9.966) 11.313 17.190 ( -2.774 -0.000 11.359) 11.693 17.603 ( 4.462 0.000 -1.717) 4.781 18.100 ( 11.279 0.000 -10.459) 15.382 18.167 ( -5.210 -0.000 -8.560) 10.021 19.062 ( -3.309 -0.000 3.333) 4.697 19.323 ( 1.797 0.000 -3.642) 4.061 19.958 ( -8.125 -0.000 11.731) 14.270 20.371 ( -7.929 -0.000 -11.840) 14.250 20.621 ( -7.991 -0.000 7.935) 11.261 20.851 ( -0.672 -0.000 -11.834) 11.853 21.437 ( 7.390 0.000 4.641) 8.727 21.586 ( 8.898 0.000 3.381) 9.519 22.010 ( -0.034 -0.000 3.545) 3.546 22.199 ( -6.692 -0.000 -3.968) 7.780 22.609 ( -6.394 -0.000 10.681) 12.448 22.644 ( 6.373 0.000 -9.455) 11.403 25.043 ( -1.867 -0.000 9.536) 9.717 25.056 ( 8.836 0.000 5.562) 10.441 25.568 ( -7.286 -0.000 3.214) 7.964 25.575 ( 8.791 0.000 -5.222) 10.225 25.854 ( 3.357 0.000 8.013) 8.688 26.560 ( -4.828 -0.000 -16.719) 17.402 27.317 ( -1.401 -0.000 3.369) 3.649 27.646 ( -1.123 -0.000 -10.848) 10.906 27.811 ( 6.930 0.000 -8.474) 10.947 27.945 ( -9.195 -0.000 14.146) 16.872 =================== 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 3/31752 10.0 5087.840 2590.704 2988.251 -0.000 60.799 0.000 3/31752 20.0 630.110 510.420 651.256 -0.000 -4.025 0.000 3/31752 30.0 186.132 158.130 215.002 -0.000 -0.749 0.000 3/31752 40.0 89.236 75.415 108.434 -0.000 0.107 0.000 3/31752 50.0 54.411 45.853 68.331 -0.000 0.248 0.000 3/31752 60.0 37.977 32.020 48.985 -0.000 0.163 0.000 3/31752 70.0 28.830 24.365 38.052 -0.000 0.036 0.000 3/31752 80.0 23.149 19.623 31.168 -0.000 -0.079 0.000 3/31752 90.0 19.335 16.438 26.485 -0.000 -0.170 0.000 3/31752 100.0 16.620 14.166 23.107 -0.000 -0.239 0.000 3/31752 110.0 14.598 12.469 20.556 -0.000 -0.290 0.000 3/31752 120.0 13.037 11.153 18.560 -0.000 -0.327 0.000 3/31752 130.0 11.796 10.102 16.953 -0.000 -0.353 0.000 3/31752 140.0 10.786 9.243 15.627 -0.000 -0.370 0.000 3/31752 150.0 9.947 8.526 14.512 -0.000 -0.381 0.000 3/31752 160.0 9.239 7.920 13.560 -0.000 -0.388 0.000 3/31752 170.0 8.632 7.399 12.736 -0.000 -0.390 0.000 3/31752 180.0 8.107 6.947 12.015 -0.000 -0.391 0.000 3/31752 190.0 7.648 6.550 11.378 -0.000 -0.389 0.000 3/31752 200.0 7.242 6.200 10.811 -0.000 -0.385 0.000 3/31752 210.0 6.881 5.888 10.301 -0.000 -0.381 0.000 3/31752 220.0 6.557 5.607 9.842 -0.000 -0.376 0.000 3/31752 230.0 6.265 5.355 9.424 -0.000 -0.370 0.000 3/31752 240.0 6.001 5.126 9.043 -0.000 -0.364 0.000 3/31752 250.0 5.760 4.917 8.694 -0.000 -0.358 0.000 3/31752 260.0 5.539 4.726 8.373 -0.000 -0.351 0.000 3/31752 270.0 5.336 4.550 8.076 -0.000 -0.344 0.000 3/31752 280.0 5.149 4.388 7.800 -0.000 -0.338 0.000 3/31752 290.0 4.975 4.238 7.544 -0.000 -0.331 0.000 3/31752 300.0 4.813 4.099 7.305 -0.000 -0.325 0.000 3/31752 310.0 4.663 3.969 7.081 -0.000 -0.318 0.000 3/31752 320.0 4.522 3.848 6.871 -0.000 -0.312 0.000 3/31752 330.0 4.390 3.735 6.674 -0.000 -0.306 0.000 3/31752 340.0 4.267 3.628 6.488 -0.000 -0.300 0.000 3/31752 350.0 4.150 3.528 6.313 -0.000 -0.294 0.000 3/31752 360.0 4.040 3.433 6.147 -0.000 -0.288 0.000 3/31752 370.0 3.936 3.344 5.990 -0.000 -0.282 0.000 3/31752 380.0 3.837 3.259 5.841 -0.000 -0.277 0.000 3/31752 390.0 3.743 3.179 5.700 -0.000 -0.271 0.000 3/31752 400.0 3.654 3.103 5.565 -0.000 -0.266 0.000 3/31752 410.0 3.570 3.030 5.437 -0.000 -0.261 0.000 3/31752 420.0 3.489 2.961 5.314 -0.000 -0.256 0.000 3/31752 430.0 3.412 2.895 5.197 -0.000 -0.252 0.000 3/31752 440.0 3.338 2.832 5.085 -0.000 -0.247 0.000 3/31752 450.0 3.268 2.772 4.978 -0.000 -0.243 0.000 3/31752 460.0 3.201 2.715 4.875 -0.000 -0.238 0.000 3/31752 470.0 3.136 2.660 4.777 -0.000 -0.234 0.000 3/31752 480.0 3.074 2.607 4.682 -0.000 -0.230 0.000 3/31752 490.0 3.014 2.556 4.592 -0.000 -0.226 0.000 3/31752 500.0 2.957 2.507 4.504 -0.000 -0.222 0.000 3/31752 510.0 2.902 2.460 4.420 -0.000 -0.219 0.000 3/31752 520.0 2.849 2.415 4.339 -0.000 -0.215 0.000 3/31752 530.0 2.798 2.371 4.261 -0.000 -0.211 0.000 3/31752 540.0 2.749 2.330 4.186 -0.000 -0.208 0.000 3/31752 550.0 2.701 2.289 4.113 -0.000 -0.205 0.000 3/31752 560.0 2.655 2.250 4.043 -0.000 -0.201 0.000 3/31752 570.0 2.611 2.212 3.975 -0.000 -0.198 0.000 3/31752 580.0 2.568 2.176 3.909 -0.000 -0.195 0.000 3/31752 590.0 2.526 2.140 3.846 -0.000 -0.192 0.000 3/31752 600.0 2.486 2.106 3.784 -0.000 -0.189 0.000 3/31752 610.0 2.447 2.073 3.725 -0.000 -0.187 0.000 3/31752 620.0 2.409 2.041 3.667 -0.000 -0.184 0.000 3/31752 630.0 2.372 2.010 3.611 -0.000 -0.181 0.000 3/31752 640.0 2.337 1.980 3.557 -0.000 -0.179 0.000 3/31752 650.0 2.302 1.950 3.504 -0.000 -0.176 0.000 3/31752 660.0 2.269 1.922 3.453 -0.000 -0.174 0.000 3/31752 670.0 2.236 1.894 3.403 -0.000 -0.171 0.000 3/31752 680.0 2.205 1.867 3.355 -0.000 -0.169 0.000 3/31752 690.0 2.174 1.841 3.308 -0.000 -0.167 0.000 3/31752 700.0 2.144 1.816 3.262 -0.000 -0.165 0.000 3/31752 710.0 2.115 1.791 3.218 -0.000 -0.163 0.000 3/31752 720.0 2.087 1.767 3.175 -0.000 -0.160 0.000 3/31752 730.0 2.059 1.744 3.132 -0.000 -0.158 0.000 3/31752 740.0 2.032 1.721 3.091 -0.000 -0.156 0.000 3/31752 750.0 2.006 1.699 3.052 -0.000 -0.154 0.000 3/31752 760.0 1.981 1.677 3.013 -0.000 -0.153 0.000 3/31752 770.0 1.956 1.656 2.975 -0.000 -0.151 0.000 3/31752 780.0 1.932 1.636 2.938 -0.000 -0.149 0.000 3/31752 790.0 1.908 1.616 2.901 -0.000 -0.147 0.000 3/31752 800.0 1.885 1.596 2.866 -0.000 -0.145 0.000 3/31752 810.0 1.862 1.577 2.832 -0.000 -0.144 0.000 3/31752 820.0 1.840 1.558 2.798 -0.000 -0.142 0.000 3/31752 830.0 1.819 1.540 2.765 -0.000 -0.140 0.000 3/31752 840.0 1.798 1.522 2.733 -0.000 -0.139 0.000 3/31752 850.0 1.777 1.505 2.702 -0.000 -0.137 0.000 3/31752 860.0 1.757 1.488 2.671 -0.000 -0.136 0.000 3/31752 870.0 1.738 1.471 2.641 -0.000 -0.134 0.000 3/31752 880.0 1.718 1.455 2.612 -0.000 -0.133 0.000 3/31752 890.0 1.700 1.439 2.583 -0.000 -0.131 0.000 3/31752 900.0 1.681 1.423 2.555 -0.000 -0.130 0.000 3/31752 910.0 1.663 1.408 2.528 -0.000 -0.129 0.000 3/31752 920.0 1.646 1.393 2.501 -0.000 -0.127 0.000 3/31752 930.0 1.628 1.379 2.475 -0.000 -0.126 0.000 3/31752 940.0 1.612 1.364 2.449 -0.000 -0.125 0.000 3/31752 950.0 1.595 1.350 2.424 -0.000 -0.123 0.000 3/31752 960.0 1.579 1.337 2.399 -0.000 -0.122 0.000 3/31752 970.0 1.563 1.323 2.375 -0.000 -0.121 0.000 3/31752 980.0 1.547 1.310 2.351 -0.000 -0.120 0.000 3/31752 990.0 1.532 1.297 2.328 -0.000 -0.119 0.000 3/31752 1000.0 1.517 1.284 2.305 -0.000 -0.117 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|