----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:11:19]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.486468190055282 -3.753780690000000 0.000000000000000 b 6.486468190055282 3.753780690000000 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): *1 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 *2 Ba 0.15132047840081 0.67371301531025 0.50081305621971 137.327 3 Ba 0.32628698468975 0.84867952159919 0.99918694378029 137.327 4 Ba 0.67371301531025 0.15132047840081 0.00081305621971 137.327 5 Ba 0.84867952159919 0.32628698468975 0.49918694378029 137.327 6 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 *7 Si 0.34307266955682 0.41810792043612 0.75314718880535 28.085 *8 Si 0.82212127919618 0.17787872080382 0.75000000000000 28.085 9 Si 0.41810792043612 0.34307266955682 0.25314718880535 28.085 10 Si 0.58189207956388 0.65692733044318 0.74685281119465 28.085 11 Si 0.17787872080382 0.82212127919618 0.25000000000000 28.085 12 Si 0.65692733044318 0.58189207956387 0.24685281119464 28.085 *13 O 0.19636327835174 0.37267751402857 0.61912055023650 15.999 *14 O 0.28652678303623 0.46319884436802 0.88820397264008 15.999 *15 O 0.58304449125525 0.21301080027380 0.75187527946767 15.999 16 O 0.37267751402857 0.19636327835174 0.11912055023650 15.999 17 O 0.46319884436802 0.28652678303623 0.38820397264008 15.999 *18 O 0.87953428514870 0.02993568946173 0.61587321311705 15.999 *19 O 0.37787063349204 0.62212936650796 0.75000000000000 15.999 20 O 0.97006431053828 0.12046571485130 0.88412678688295 15.999 21 O 0.21301080027380 0.58304449125525 0.25187527946767 15.999 22 O 0.78698919972620 0.41695550874475 0.74812472053233 15.999 23 O 0.02993568946172 0.87953428514870 0.11587321311705 15.999 24 O 0.62212936650796 0.37787063349204 0.25000000000000 15.999 25 O 0.12046571485130 0.97006431053828 0.38412678688295 15.999 26 O 0.53680115563198 0.71347321696377 0.61179602735992 15.999 27 O 0.62732248597143 0.80363672164826 0.88087944976350 15.999 28 O 0.41695550874475 0.78698919972620 0.24812472053233 15.999 29 O 0.71347321696377 0.53680115563198 0.11179602735992 15.999 30 O 0.80363672164826 0.62732248597143 0.38087944976350 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.972936380110564 0.000000000000000 0.000000000000000 b 0.000000000000000 7.507561379999999 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): *1 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 1 *2 Ba 0.41251674685553 0.26119626845472 0.50081305621971 137.327 > 2 3 Ba 0.58748325314447 0.26119626845472 0.99918694378029 137.327 > 3 4 Ba 0.41251674685553 0.73880373154528 0.00081305621971 137.327 > 4 5 Ba 0.58748325314447 0.73880373154528 0.49918694378029 137.327 > 5 6 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 6 7 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 1 8 Ba 0.91251674685553 0.76119626845472 0.50081305621971 137.327 > 2 9 Ba 0.08748325314447 0.76119626845472 0.99918694378029 137.327 > 3 10 Ba 0.91251674685553 0.23880373154528 0.00081305621971 137.327 > 4 11 Ba 0.08748325314447 0.23880373154528 0.49918694378029 137.327 > 5 12 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 6 *13 Si 0.38059029499647 0.03751762543965 0.75314718880535 28.085 > 7 *14 Si 0.50000000000000 0.67787872080382 0.75000000000000 28.085 > 8 15 Si 0.38059029499647 0.96248237456035 0.25314718880535 28.085 > 9 16 Si 0.61940970500353 0.03751762543965 0.74685281119465 28.085 > 10 17 Si 0.50000000000000 0.32212127919618 0.25000000000000 28.085 > 11 18 Si 0.61940970500353 0.96248237456035 0.24685281119464 28.085 > 12 19 Si 0.88059029499647 0.53751762543965 0.75314718880535 28.085 > 7 20 Si 0.00000000000000 0.17787872080382 0.75000000000000 28.085 > 8 21 Si 0.88059029499647 0.46248237456034 0.25314718880535 28.085 > 9 22 Si 0.11940970500353 0.53751762543965 0.74685281119465 28.085 > 10 23 Si 0.00000000000000 0.82212127919618 0.25000000000000 28.085 > 11 24 Si 0.11940970500353 0.46248237456034 0.24685281119464 28.085 > 12 *25 O 0.28452039619016 0.08815711783841 0.61912055023650 15.999 > 13 *26 O 0.37486281370212 0.08833603066590 0.88820397264008 15.999 > 14 *27 O 0.39802764576452 0.81498315450928 0.75187527946767 15.999 > 15 28 O 0.28452039619016 0.91184288216159 0.11912055023650 15.999 > 16 29 O 0.37486281370212 0.91166396933410 0.38820397264008 15.999 > 17 *30 O 0.45473498730521 0.57520070215651 0.61587321311705 15.999 > 18 *31 O 0.50000000000000 0.12212936650796 0.75000000000000 15.999 > 19 32 O 0.54526501269479 0.57520070215651 0.88412678688295 15.999 > 20 33 O 0.39802764576452 0.18501684549072 0.25187527946767 15.999 > 21 34 O 0.60197235423548 0.81498315450928 0.74812472053233 15.999 > 22 35 O 0.45473498730521 0.42479929784349 0.11587321311705 15.999 > 23 36 O 0.50000000000000 0.87787063349204 0.25000000000000 15.999 > 24 37 O 0.54526501269479 0.42479929784349 0.38412678688295 15.999 > 25 38 O 0.62513718629788 0.08833603066590 0.61179602735992 15.999 > 26 39 O 0.71547960380984 0.08815711783841 0.88087944976350 15.999 > 27 40 O 0.60197235423548 0.18501684549072 0.24812472053233 15.999 > 28 41 O 0.62513718629788 0.91166396933410 0.11179602735992 15.999 > 29 42 O 0.71547960380984 0.91184288216159 0.38087944976350 15.999 > 30 43 O 0.78452039619016 0.58815711783841 0.61912055023650 15.999 > 13 44 O 0.87486281370212 0.58833603066590 0.88820397264008 15.999 > 14 45 O 0.89802764576452 0.31498315450928 0.75187527946767 15.999 > 15 46 O 0.78452039619016 0.41184288216159 0.11912055023650 15.999 > 16 47 O 0.87486281370212 0.41166396933410 0.38820397264008 15.999 > 17 48 O 0.95473498730521 0.07520070215651 0.61587321311705 15.999 > 18 49 O 0.00000000000000 0.62212936650796 0.75000000000000 15.999 > 19 50 O 0.04526501269479 0.07520070215651 0.88412678688295 15.999 > 20 51 O 0.89802764576452 0.68501684549072 0.25187527946767 15.999 > 21 52 O 0.10197235423548 0.31498315450928 0.74812472053233 15.999 > 22 53 O 0.95473498730521 0.92479929784349 0.11587321311705 15.999 > 23 54 O 0.00000000000000 0.37787063349204 0.25000000000000 15.999 > 24 55 O 0.04526501269479 0.92479929784349 0.38412678688295 15.999 > 25 56 O 0.12513718629788 0.58833603066590 0.61179602735992 15.999 > 26 57 O 0.21547960380984 0.58815711783841 0.88087944976350 15.999 > 27 58 O 0.10197235423548 0.68501684549072 0.24812472053233 15.999 > 28 59 O 0.12513718629788 0.41166396933410 0.11179602735992 15.999 > 29 60 O 0.21547960380984 0.41184288216159 0.38087944976350 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.972936380110564 0.000000000000000 0.000000000000000 b 0.000000000000000 15.015122759999999 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): *1 Ba 0.75000000000000 0.12500000000000 0.50000000000000 137.327 > 1 2 Ba 0.75000000000000 0.62500000000000 0.50000000000000 137.327 > 1 *3 Ba 0.41251674685553 0.13059813422736 0.50081305621971 137.327 > 2 4 Ba 0.41251674685553 0.63059813422736 0.50081305621971 137.327 > 2 5 Ba 0.58748325314447 0.13059813422736 0.99918694378029 137.327 > 3 6 Ba 0.58748325314447 0.63059813422736 0.99918694378029 137.327 > 3 7 Ba 0.41251674685553 0.36940186577264 0.00081305621971 137.327 > 4 8 Ba 0.41251674685553 0.86940186577264 0.00081305621971 137.327 > 4 9 Ba 0.58748325314447 0.36940186577264 0.49918694378029 137.327 > 5 10 Ba 0.58748325314447 0.86940186577264 0.49918694378029 137.327 > 5 11 Ba 0.75000000000000 0.37500000000000 0.00000000000000 137.327 > 6 12 Ba 0.75000000000000 0.87500000000000 0.00000000000000 137.327 > 6 13 Ba 0.25000000000000 0.37500000000000 0.50000000000000 137.327 > 1 14 Ba 0.25000000000000 0.87500000000000 0.50000000000000 137.327 > 1 15 Ba 0.91251674685553 0.38059813422736 0.50081305621971 137.327 > 2 16 Ba 0.91251674685553 0.88059813422736 0.50081305621971 137.327 > 2 17 Ba 0.08748325314447 0.38059813422736 0.99918694378029 137.327 > 3 18 Ba 0.08748325314447 0.88059813422736 0.99918694378029 137.327 > 3 19 Ba 0.91251674685553 0.11940186577264 0.00081305621971 137.327 > 4 20 Ba 0.91251674685553 0.61940186577264 0.00081305621971 137.327 > 4 21 Ba 0.08748325314447 0.11940186577264 0.49918694378029 137.327 > 5 22 Ba 0.08748325314447 0.61940186577264 0.49918694378029 137.327 > 5 23 Ba 0.25000000000000 0.12500000000000 0.00000000000000 137.327 > 6 24 Ba 0.25000000000000 0.62500000000000 0.00000000000000 137.327 > 6 *25 Si 0.38059029499647 0.01875881271983 0.75314718880535 28.085 > 7 26 Si 0.38059029499647 0.51875881271983 0.75314718880535 28.085 > 7 *27 Si 0.50000000000000 0.33893936040191 0.75000000000000 28.085 > 8 28 Si 0.50000000000000 0.83893936040191 0.75000000000000 28.085 > 8 29 Si 0.38059029499647 0.48124118728017 0.25314718880535 28.085 > 9 30 Si 0.38059029499647 0.98124118728017 0.25314718880535 28.085 > 9 31 Si 0.61940970500353 0.01875881271983 0.74685281119465 28.085 > 10 32 Si 0.61940970500353 0.51875881271983 0.74685281119465 28.085 > 10 33 Si 0.50000000000000 0.16106063959809 0.25000000000000 28.085 > 11 34 Si 0.50000000000000 0.66106063959809 0.25000000000000 28.085 > 11 35 Si 0.61940970500353 0.48124118728017 0.24685281119464 28.085 > 12 36 Si 0.61940970500353 0.98124118728017 0.24685281119464 28.085 > 12 37 Si 0.88059029499647 0.26875881271983 0.75314718880535 28.085 > 7 38 Si 0.88059029499647 0.76875881271983 0.75314718880535 28.085 > 7 39 Si 0.00000000000000 0.08893936040191 0.75000000000000 28.085 > 8 40 Si 0.00000000000000 0.58893936040191 0.75000000000000 28.085 > 8 41 Si 0.88059029499647 0.23124118728017 0.25314718880535 28.085 > 9 42 Si 0.88059029499647 0.73124118728017 0.25314718880535 28.085 > 9 43 Si 0.11940970500353 0.26875881271983 0.74685281119465 28.085 > 10 44 Si 0.11940970500353 0.76875881271983 0.74685281119465 28.085 > 10 45 Si 0.00000000000000 0.41106063959809 0.25000000000000 28.085 > 11 46 Si 0.00000000000000 0.91106063959809 0.25000000000000 28.085 > 11 47 Si 0.11940970500353 0.23124118728017 0.24685281119464 28.085 > 12 48 Si 0.11940970500353 0.73124118728017 0.24685281119464 28.085 > 12 *49 O 0.28452039619016 0.04407855891921 0.61912055023650 15.999 > 13 50 O 0.28452039619016 0.54407855891921 0.61912055023650 15.999 > 13 *51 O 0.37486281370212 0.04416801533295 0.88820397264008 15.999 > 14 52 O 0.37486281370212 0.54416801533295 0.88820397264008 15.999 > 14 *53 O 0.39802764576452 0.40749157725464 0.75187527946767 15.999 > 15 54 O 0.39802764576452 0.90749157725464 0.75187527946767 15.999 > 15 55 O 0.28452039619016 0.45592144108079 0.11912055023650 15.999 > 16 56 O 0.28452039619016 0.95592144108079 0.11912055023650 15.999 > 16 57 O 0.37486281370212 0.45583198466705 0.38820397264008 15.999 > 17 58 O 0.37486281370212 0.95583198466705 0.38820397264008 15.999 > 17 *59 O 0.45473498730521 0.28760035107826 0.61587321311705 15.999 > 18 60 O 0.45473498730521 0.78760035107826 0.61587321311705 15.999 > 18 *61 O 0.50000000000000 0.06106468325398 0.75000000000000 15.999 > 19 62 O 0.50000000000000 0.56106468325398 0.75000000000000 15.999 > 19 63 O 0.54526501269479 0.28760035107826 0.88412678688295 15.999 > 20 64 O 0.54526501269479 0.78760035107826 0.88412678688295 15.999 > 20 65 O 0.39802764576452 0.09250842274536 0.25187527946767 15.999 > 21 66 O 0.39802764576452 0.59250842274536 0.25187527946767 15.999 > 21 67 O 0.60197235423548 0.40749157725464 0.74812472053233 15.999 > 22 68 O 0.60197235423548 0.90749157725464 0.74812472053233 15.999 > 22 69 O 0.45473498730521 0.21239964892174 0.11587321311705 15.999 > 23 70 O 0.45473498730521 0.71239964892174 0.11587321311705 15.999 > 23 71 O 0.50000000000000 0.43893531674602 0.25000000000000 15.999 > 24 72 O 0.50000000000000 0.93893531674602 0.25000000000000 15.999 > 24 73 O 0.54526501269479 0.21239964892174 0.38412678688295 15.999 > 25 74 O 0.54526501269479 0.71239964892174 0.38412678688295 15.999 > 25 75 O 0.62513718629788 0.04416801533295 0.61179602735992 15.999 > 26 76 O 0.62513718629788 0.54416801533295 0.61179602735992 15.999 > 26 77 O 0.71547960380984 0.04407855891921 0.88087944976350 15.999 > 27 78 O 0.71547960380984 0.54407855891921 0.88087944976350 15.999 > 27 79 O 0.60197235423548 0.09250842274536 0.24812472053233 15.999 > 28 80 O 0.60197235423548 0.59250842274536 0.24812472053233 15.999 > 28 81 O 0.62513718629788 0.45583198466705 0.11179602735992 15.999 > 29 82 O 0.62513718629788 0.95583198466705 0.11179602735992 15.999 > 29 83 O 0.71547960380984 0.45592144108079 0.38087944976350 15.999 > 30 84 O 0.71547960380984 0.95592144108079 0.38087944976350 15.999 > 30 85 O 0.78452039619016 0.29407855891921 0.61912055023650 15.999 > 13 86 O 0.78452039619016 0.79407855891921 0.61912055023650 15.999 > 13 87 O 0.87486281370212 0.29416801533295 0.88820397264008 15.999 > 14 88 O 0.87486281370212 0.79416801533295 0.88820397264008 15.999 > 14 89 O 0.89802764576452 0.15749157725464 0.75187527946767 15.999 > 15 90 O 0.89802764576452 0.65749157725464 0.75187527946767 15.999 > 15 91 O 0.78452039619016 0.20592144108079 0.11912055023650 15.999 > 16 92 O 0.78452039619016 0.70592144108079 0.11912055023650 15.999 > 16 93 O 0.87486281370212 0.20583198466705 0.38820397264008 15.999 > 17 94 O 0.87486281370212 0.70583198466705 0.38820397264008 15.999 > 17 95 O 0.95473498730521 0.03760035107826 0.61587321311705 15.999 > 18 96 O 0.95473498730521 0.53760035107826 0.61587321311705 15.999 > 18 97 O 0.00000000000000 0.31106468325398 0.75000000000000 15.999 > 19 98 O 0.00000000000000 0.81106468325398 0.75000000000000 15.999 > 19 99 O 0.04526501269479 0.03760035107826 0.88412678688295 15.999 > 20 100 O 0.04526501269479 0.53760035107826 0.88412678688295 15.999 > 20 101 O 0.89802764576452 0.34250842274536 0.25187527946767 15.999 > 21 102 O 0.89802764576452 0.84250842274536 0.25187527946767 15.999 > 21 103 O 0.10197235423548 0.15749157725464 0.74812472053233 15.999 > 22 104 O 0.10197235423548 0.65749157725464 0.74812472053233 15.999 > 22 105 O 0.95473498730521 0.46239964892174 0.11587321311705 15.999 > 23 106 O 0.95473498730521 0.96239964892174 0.11587321311705 15.999 > 23 107 O 0.00000000000000 0.18893531674602 0.25000000000000 15.999 > 24 108 O 0.00000000000000 0.68893531674602 0.25000000000000 15.999 > 24 109 O 0.04526501269479 0.46239964892174 0.38412678688295 15.999 > 25 110 O 0.04526501269479 0.96239964892174 0.38412678688295 15.999 > 25 111 O 0.12513718629788 0.29416801533295 0.61179602735992 15.999 > 26 112 O 0.12513718629788 0.79416801533295 0.61179602735992 15.999 > 26 113 O 0.21547960380984 0.29407855891921 0.88087944976350 15.999 > 27 114 O 0.21547960380984 0.79407855891921 0.88087944976350 15.999 > 27 115 O 0.10197235423548 0.34250842274536 0.24812472053233 15.999 > 28 116 O 0.10197235423548 0.84250842274536 0.24812472053233 15.999 > 28 117 O 0.12513718629788 0.20583198466705 0.11179602735992 15.999 > 29 118 O 0.12513718629788 0.70583198466705 0.11179602735992 15.999 > 29 119 O 0.21547960380984 0.20592144108079 0.38087944976350 15.999 > 30 120 O 0.21547960380984 0.70592144108079 0.38087944976350 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8217727 0.0000000 0.0034994 0.0000000 2.8199757 0.0000000 0.0034990 0.0000000 2.9541010 -------------------------- Born effective charges -------------------------- 1 Ba 2.8126437 0.2809137 0.2107879 0.2826712 2.4662025 0.1169777 0.1086807 0.0555521 2.6130336 2 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 3 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 4 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 5 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 6 Ba 2.8126437 -0.2809137 0.2107879 -0.2826712 2.4662025 -0.1169777 0.1086807 -0.0555521 2.6130336 7 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 8 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 9 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 10 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 11 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 12 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 13 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 14 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 15 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 16 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 17 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 18 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 19 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 20 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 21 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 22 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 23 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 24 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 25 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 26 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 27 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 28 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 29 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 30 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.316 Solver_block: 200 / 960 - Time: 1.090 Solver_block: 300 / 960 - Time: 1.100 Solver_block: 400 / 960 - Time: 1.102 Solver_block: 500 / 960 - Time: 1.109 Solver_block: 600 / 960 - Time: 1.099 Solver_block: 700 / 960 - Time: 1.107 Solver_block: 800 / 960 - Time: 1.104 Solver_block: 900 / 960 - Time: 1.098 Solver_block: 960 / 960 - Time: 0.739 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.101 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:12:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:12:14]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.486468190055282 -3.753780690000000 0.000000000000000 b 6.486468190055282 3.753780690000000 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): 1 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 2 Ba 0.15132047840081 0.67371301531025 0.50081305621971 137.327 3 Ba 0.32628698468975 0.84867952159919 0.99918694378029 137.327 4 Ba 0.67371301531025 0.15132047840081 0.00081305621971 137.327 5 Ba 0.84867952159919 0.32628698468975 0.49918694378029 137.327 6 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 7 Si 0.34307266955682 0.41810792043612 0.75314718880535 28.085 8 Si 0.82212127919618 0.17787872080382 0.75000000000000 28.085 9 Si 0.41810792043612 0.34307266955682 0.25314718880535 28.085 10 Si 0.58189207956388 0.65692733044318 0.74685281119465 28.085 11 Si 0.17787872080382 0.82212127919618 0.25000000000000 28.085 12 Si 0.65692733044318 0.58189207956387 0.24685281119464 28.085 13 O 0.19636327835174 0.37267751402857 0.61912055023650 15.999 14 O 0.28652678303623 0.46319884436802 0.88820397264008 15.999 15 O 0.58304449125525 0.21301080027380 0.75187527946767 15.999 16 O 0.37267751402857 0.19636327835174 0.11912055023650 15.999 17 O 0.46319884436802 0.28652678303623 0.38820397264008 15.999 18 O 0.87953428514870 0.02993568946173 0.61587321311705 15.999 19 O 0.37787063349204 0.62212936650796 0.75000000000000 15.999 20 O 0.97006431053828 0.12046571485130 0.88412678688295 15.999 21 O 0.21301080027380 0.58304449125525 0.25187527946767 15.999 22 O 0.78698919972620 0.41695550874475 0.74812472053233 15.999 23 O 0.02993568946172 0.87953428514870 0.11587321311705 15.999 24 O 0.62212936650796 0.37787063349204 0.25000000000000 15.999 25 O 0.12046571485130 0.97006431053828 0.38412678688295 15.999 26 O 0.53680115563198 0.71347321696377 0.61179602735992 15.999 27 O 0.62732248597143 0.80363672164826 0.88087944976350 15.999 28 O 0.41695550874475 0.78698919972620 0.24812472053233 15.999 29 O 0.71347321696377 0.53680115563198 0.11179602735992 15.999 30 O 0.80363672164826 0.62732248597143 0.38087944976350 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.972936380110564 0.000000000000000 0.000000000000000 b 0.000000000000000 15.015122759999999 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): 1 Ba 0.75000000000000 0.12500000000000 0.50000000000000 137.327 > 1 2 Ba 0.75000000000000 0.62500000000000 0.50000000000000 137.327 > 1 3 Ba 0.41251674685553 0.13059813422736 0.50081305621971 137.327 > 3 4 Ba 0.41251674685553 0.63059813422736 0.50081305621971 137.327 > 3 5 Ba 0.58748325314447 0.13059813422736 0.99918694378029 137.327 > 5 6 Ba 0.58748325314447 0.63059813422736 0.99918694378029 137.327 > 5 7 Ba 0.41251674685553 0.36940186577264 0.00081305621971 137.327 > 7 8 Ba 0.41251674685553 0.86940186577264 0.00081305621971 137.327 > 7 9 Ba 0.58748325314447 0.36940186577264 0.49918694378029 137.327 > 9 10 Ba 0.58748325314447 0.86940186577264 0.49918694378029 137.327 > 9 11 Ba 0.75000000000000 0.37500000000000 0.00000000000000 137.327 > 11 12 Ba 0.75000000000000 0.87500000000000 0.00000000000000 137.327 > 11 13 Ba 0.25000000000000 0.37500000000000 0.50000000000000 137.327 > 1 14 Ba 0.25000000000000 0.87500000000000 0.50000000000000 137.327 > 1 15 Ba 0.91251674685553 0.38059813422736 0.50081305621971 137.327 > 3 16 Ba 0.91251674685553 0.88059813422736 0.50081305621971 137.327 > 3 17 Ba 0.08748325314447 0.38059813422736 0.99918694378029 137.327 > 5 18 Ba 0.08748325314447 0.88059813422736 0.99918694378029 137.327 > 5 19 Ba 0.91251674685553 0.11940186577264 0.00081305621971 137.327 > 7 20 Ba 0.91251674685553 0.61940186577264 0.00081305621971 137.327 > 7 21 Ba 0.08748325314447 0.11940186577264 0.49918694378029 137.327 > 9 22 Ba 0.08748325314447 0.61940186577264 0.49918694378029 137.327 > 9 23 Ba 0.25000000000000 0.12500000000000 0.00000000000000 137.327 > 11 24 Ba 0.25000000000000 0.62500000000000 0.00000000000000 137.327 > 11 25 Si 0.38059029499647 0.01875881271983 0.75314718880535 28.085 > 25 26 Si 0.38059029499647 0.51875881271983 0.75314718880535 28.085 > 25 27 Si 0.50000000000000 0.33893936040191 0.75000000000000 28.085 > 27 28 Si 0.50000000000000 0.83893936040191 0.75000000000000 28.085 > 27 29 Si 0.38059029499647 0.48124118728017 0.25314718880535 28.085 > 29 30 Si 0.38059029499647 0.98124118728017 0.25314718880535 28.085 > 29 31 Si 0.61940970500353 0.01875881271983 0.74685281119465 28.085 > 31 32 Si 0.61940970500353 0.51875881271983 0.74685281119465 28.085 > 31 33 Si 0.50000000000000 0.16106063959809 0.25000000000000 28.085 > 33 34 Si 0.50000000000000 0.66106063959809 0.25000000000000 28.085 > 33 35 Si 0.61940970500353 0.48124118728017 0.24685281119464 28.085 > 35 36 Si 0.61940970500353 0.98124118728017 0.24685281119464 28.085 > 35 37 Si 0.88059029499647 0.26875881271983 0.75314718880535 28.085 > 25 38 Si 0.88059029499647 0.76875881271983 0.75314718880535 28.085 > 25 39 Si 0.00000000000000 0.08893936040191 0.75000000000000 28.085 > 27 40 Si 0.00000000000000 0.58893936040191 0.75000000000000 28.085 > 27 41 Si 0.88059029499647 0.23124118728017 0.25314718880535 28.085 > 29 42 Si 0.88059029499647 0.73124118728017 0.25314718880535 28.085 > 29 43 Si 0.11940970500353 0.26875881271983 0.74685281119465 28.085 > 31 44 Si 0.11940970500353 0.76875881271983 0.74685281119465 28.085 > 31 45 Si 0.00000000000000 0.41106063959809 0.25000000000000 28.085 > 33 46 Si 0.00000000000000 0.91106063959809 0.25000000000000 28.085 > 33 47 Si 0.11940970500353 0.23124118728017 0.24685281119464 28.085 > 35 48 Si 0.11940970500353 0.73124118728017 0.24685281119464 28.085 > 35 49 O 0.28452039619016 0.04407855891921 0.61912055023650 15.999 > 49 50 O 0.28452039619016 0.54407855891921 0.61912055023650 15.999 > 49 51 O 0.37486281370212 0.04416801533295 0.88820397264008 15.999 > 51 52 O 0.37486281370212 0.54416801533295 0.88820397264008 15.999 > 51 53 O 0.39802764576452 0.40749157725464 0.75187527946767 15.999 > 53 54 O 0.39802764576452 0.90749157725464 0.75187527946767 15.999 > 53 55 O 0.28452039619016 0.45592144108079 0.11912055023650 15.999 > 55 56 O 0.28452039619016 0.95592144108079 0.11912055023650 15.999 > 55 57 O 0.37486281370212 0.45583198466705 0.38820397264008 15.999 > 57 58 O 0.37486281370212 0.95583198466705 0.38820397264008 15.999 > 57 59 O 0.45473498730521 0.28760035107826 0.61587321311705 15.999 > 59 60 O 0.45473498730521 0.78760035107826 0.61587321311705 15.999 > 59 61 O 0.50000000000000 0.06106468325398 0.75000000000000 15.999 > 61 62 O 0.50000000000000 0.56106468325398 0.75000000000000 15.999 > 61 63 O 0.54526501269479 0.28760035107826 0.88412678688295 15.999 > 63 64 O 0.54526501269479 0.78760035107826 0.88412678688295 15.999 > 63 65 O 0.39802764576452 0.09250842274536 0.25187527946767 15.999 > 65 66 O 0.39802764576452 0.59250842274536 0.25187527946767 15.999 > 65 67 O 0.60197235423548 0.40749157725464 0.74812472053233 15.999 > 67 68 O 0.60197235423548 0.90749157725464 0.74812472053233 15.999 > 67 69 O 0.45473498730521 0.21239964892174 0.11587321311705 15.999 > 69 70 O 0.45473498730521 0.71239964892174 0.11587321311705 15.999 > 69 71 O 0.50000000000000 0.43893531674602 0.25000000000000 15.999 > 71 72 O 0.50000000000000 0.93893531674602 0.25000000000000 15.999 > 71 73 O 0.54526501269479 0.21239964892174 0.38412678688295 15.999 > 73 74 O 0.54526501269479 0.71239964892174 0.38412678688295 15.999 > 73 75 O 0.62513718629788 0.04416801533295 0.61179602735992 15.999 > 75 76 O 0.62513718629788 0.54416801533295 0.61179602735992 15.999 > 75 77 O 0.71547960380984 0.04407855891921 0.88087944976350 15.999 > 77 78 O 0.71547960380984 0.54407855891921 0.88087944976350 15.999 > 77 79 O 0.60197235423548 0.09250842274536 0.24812472053233 15.999 > 79 80 O 0.60197235423548 0.59250842274536 0.24812472053233 15.999 > 79 81 O 0.62513718629788 0.45583198466705 0.11179602735992 15.999 > 81 82 O 0.62513718629788 0.95583198466705 0.11179602735992 15.999 > 81 83 O 0.71547960380984 0.45592144108079 0.38087944976350 15.999 > 83 84 O 0.71547960380984 0.95592144108079 0.38087944976350 15.999 > 83 85 O 0.78452039619016 0.29407855891921 0.61912055023650 15.999 > 49 86 O 0.78452039619016 0.79407855891921 0.61912055023650 15.999 > 49 87 O 0.87486281370212 0.29416801533295 0.88820397264008 15.999 > 51 88 O 0.87486281370212 0.79416801533295 0.88820397264008 15.999 > 51 89 O 0.89802764576452 0.15749157725464 0.75187527946767 15.999 > 53 90 O 0.89802764576452 0.65749157725464 0.75187527946767 15.999 > 53 91 O 0.78452039619016 0.20592144108079 0.11912055023650 15.999 > 55 92 O 0.78452039619016 0.70592144108079 0.11912055023650 15.999 > 55 93 O 0.87486281370212 0.20583198466705 0.38820397264008 15.999 > 57 94 O 0.87486281370212 0.70583198466705 0.38820397264008 15.999 > 57 95 O 0.95473498730521 0.03760035107826 0.61587321311705 15.999 > 59 96 O 0.95473498730521 0.53760035107826 0.61587321311705 15.999 > 59 97 O 0.00000000000000 0.31106468325398 0.75000000000000 15.999 > 61 98 O 0.00000000000000 0.81106468325398 0.75000000000000 15.999 > 61 99 O 0.04526501269479 0.03760035107826 0.88412678688295 15.999 > 63 100 O 0.04526501269479 0.53760035107826 0.88412678688295 15.999 > 63 101 O 0.89802764576452 0.34250842274536 0.25187527946767 15.999 > 65 102 O 0.89802764576452 0.84250842274536 0.25187527946767 15.999 > 65 103 O 0.10197235423548 0.15749157725464 0.74812472053233 15.999 > 67 104 O 0.10197235423548 0.65749157725464 0.74812472053233 15.999 > 67 105 O 0.95473498730521 0.46239964892174 0.11587321311705 15.999 > 69 106 O 0.95473498730521 0.96239964892174 0.11587321311705 15.999 > 69 107 O 0.00000000000000 0.18893531674602 0.25000000000000 15.999 > 71 108 O 0.00000000000000 0.68893531674602 0.25000000000000 15.999 > 71 109 O 0.04526501269479 0.46239964892174 0.38412678688295 15.999 > 73 110 O 0.04526501269479 0.96239964892174 0.38412678688295 15.999 > 73 111 O 0.12513718629788 0.29416801533295 0.61179602735992 15.999 > 75 112 O 0.12513718629788 0.79416801533295 0.61179602735992 15.999 > 75 113 O 0.21547960380984 0.29407855891921 0.88087944976350 15.999 > 77 114 O 0.21547960380984 0.79407855891921 0.88087944976350 15.999 > 77 115 O 0.10197235423548 0.34250842274536 0.24812472053233 15.999 > 79 116 O 0.10197235423548 0.84250842274536 0.24812472053233 15.999 > 79 117 O 0.12513718629788 0.20583198466705 0.11179602735992 15.999 > 81 118 O 0.12513718629788 0.70583198466705 0.11179602735992 15.999 > 81 119 O 0.21547960380984 0.20592144108079 0.38087944976350 15.999 > 83 120 O 0.21547960380984 0.70592144108079 0.38087944976350 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8217727 0.0000000 0.0034994 0.0000000 2.8199757 0.0000000 0.0034990 0.0000000 2.9541010 -------------------------- Born effective charges -------------------------- 1 Ba 2.8126437 0.2809137 0.2107879 0.2826712 2.4662025 0.1169777 0.1086807 0.0555521 2.6130336 2 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 3 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 4 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 5 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 6 Ba 2.8126437 -0.2809137 0.2107879 -0.2826712 2.4662025 -0.1169777 0.1086807 -0.0555521 2.6130336 7 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 8 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 9 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 10 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 11 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 12 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 13 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 14 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 15 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 16 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 17 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 18 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 19 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 20 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 21 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 22 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 23 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 24 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 25 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 26 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 27 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 28 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 29 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 30 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 27, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 59, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 61, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:12:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:12:58]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.486468190055282 -3.753780690000000 0.000000000000000 b 6.486468190055282 3.753780690000000 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): 1 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 2 Ba 0.15132047840081 0.67371301531025 0.50081305621971 137.327 3 Ba 0.32628698468975 0.84867952159919 0.99918694378029 137.327 4 Ba 0.67371301531025 0.15132047840081 0.00081305621971 137.327 5 Ba 0.84867952159919 0.32628698468975 0.49918694378029 137.327 6 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 7 Si 0.34307266955682 0.41810792043612 0.75314718880535 28.085 8 Si 0.82212127919618 0.17787872080382 0.75000000000000 28.085 9 Si 0.41810792043612 0.34307266955682 0.25314718880535 28.085 10 Si 0.58189207956388 0.65692733044318 0.74685281119465 28.085 11 Si 0.17787872080382 0.82212127919618 0.25000000000000 28.085 12 Si 0.65692733044318 0.58189207956387 0.24685281119464 28.085 13 O 0.19636327835174 0.37267751402857 0.61912055023650 15.999 14 O 0.28652678303623 0.46319884436802 0.88820397264008 15.999 15 O 0.58304449125525 0.21301080027380 0.75187527946767 15.999 16 O 0.37267751402857 0.19636327835174 0.11912055023650 15.999 17 O 0.46319884436802 0.28652678303623 0.38820397264008 15.999 18 O 0.87953428514870 0.02993568946173 0.61587321311705 15.999 19 O 0.37787063349204 0.62212936650796 0.75000000000000 15.999 20 O 0.97006431053828 0.12046571485130 0.88412678688295 15.999 21 O 0.21301080027380 0.58304449125525 0.25187527946767 15.999 22 O 0.78698919972620 0.41695550874475 0.74812472053233 15.999 23 O 0.02993568946172 0.87953428514870 0.11587321311705 15.999 24 O 0.62212936650796 0.37787063349204 0.25000000000000 15.999 25 O 0.12046571485130 0.97006431053828 0.38412678688295 15.999 26 O 0.53680115563198 0.71347321696377 0.61179602735992 15.999 27 O 0.62732248597143 0.80363672164826 0.88087944976350 15.999 28 O 0.41695550874475 0.78698919972620 0.24812472053233 15.999 29 O 0.71347321696377 0.53680115563198 0.11179602735992 15.999 30 O 0.80363672164826 0.62732248597143 0.38087944976350 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.972936380110564 0.000000000000000 0.000000000000000 b 0.000000000000000 15.015122759999999 0.000000000000000 c -4.228868696109028 0.000000000000000 10.513521720803540 Atomic positions (fractional): 1 Ba 0.75000000000000 0.12500000000000 0.50000000000000 137.327 > 1 2 Ba 0.75000000000000 0.62500000000000 0.50000000000000 137.327 > 1 3 Ba 0.41251674685553 0.13059813422736 0.50081305621971 137.327 > 3 4 Ba 0.41251674685553 0.63059813422736 0.50081305621971 137.327 > 3 5 Ba 0.58748325314447 0.13059813422736 0.99918694378029 137.327 > 5 6 Ba 0.58748325314447 0.63059813422736 0.99918694378029 137.327 > 5 7 Ba 0.41251674685553 0.36940186577264 0.00081305621971 137.327 > 7 8 Ba 0.41251674685553 0.86940186577264 0.00081305621971 137.327 > 7 9 Ba 0.58748325314447 0.36940186577264 0.49918694378029 137.327 > 9 10 Ba 0.58748325314447 0.86940186577264 0.49918694378029 137.327 > 9 11 Ba 0.75000000000000 0.37500000000000 0.00000000000000 137.327 > 11 12 Ba 0.75000000000000 0.87500000000000 0.00000000000000 137.327 > 11 13 Ba 0.25000000000000 0.37500000000000 0.50000000000000 137.327 > 1 14 Ba 0.25000000000000 0.87500000000000 0.50000000000000 137.327 > 1 15 Ba 0.91251674685553 0.38059813422736 0.50081305621971 137.327 > 3 16 Ba 0.91251674685553 0.88059813422736 0.50081305621971 137.327 > 3 17 Ba 0.08748325314447 0.38059813422736 0.99918694378029 137.327 > 5 18 Ba 0.08748325314447 0.88059813422736 0.99918694378029 137.327 > 5 19 Ba 0.91251674685553 0.11940186577264 0.00081305621971 137.327 > 7 20 Ba 0.91251674685553 0.61940186577264 0.00081305621971 137.327 > 7 21 Ba 0.08748325314447 0.11940186577264 0.49918694378029 137.327 > 9 22 Ba 0.08748325314447 0.61940186577264 0.49918694378029 137.327 > 9 23 Ba 0.25000000000000 0.12500000000000 0.00000000000000 137.327 > 11 24 Ba 0.25000000000000 0.62500000000000 0.00000000000000 137.327 > 11 25 Si 0.38059029499647 0.01875881271983 0.75314718880535 28.085 > 25 26 Si 0.38059029499647 0.51875881271983 0.75314718880535 28.085 > 25 27 Si 0.50000000000000 0.33893936040191 0.75000000000000 28.085 > 27 28 Si 0.50000000000000 0.83893936040191 0.75000000000000 28.085 > 27 29 Si 0.38059029499647 0.48124118728017 0.25314718880535 28.085 > 29 30 Si 0.38059029499647 0.98124118728017 0.25314718880535 28.085 > 29 31 Si 0.61940970500353 0.01875881271983 0.74685281119465 28.085 > 31 32 Si 0.61940970500353 0.51875881271983 0.74685281119465 28.085 > 31 33 Si 0.50000000000000 0.16106063959809 0.25000000000000 28.085 > 33 34 Si 0.50000000000000 0.66106063959809 0.25000000000000 28.085 > 33 35 Si 0.61940970500353 0.48124118728017 0.24685281119464 28.085 > 35 36 Si 0.61940970500353 0.98124118728017 0.24685281119464 28.085 > 35 37 Si 0.88059029499647 0.26875881271983 0.75314718880535 28.085 > 25 38 Si 0.88059029499647 0.76875881271983 0.75314718880535 28.085 > 25 39 Si 0.00000000000000 0.08893936040191 0.75000000000000 28.085 > 27 40 Si 0.00000000000000 0.58893936040191 0.75000000000000 28.085 > 27 41 Si 0.88059029499647 0.23124118728017 0.25314718880535 28.085 > 29 42 Si 0.88059029499647 0.73124118728017 0.25314718880535 28.085 > 29 43 Si 0.11940970500353 0.26875881271983 0.74685281119465 28.085 > 31 44 Si 0.11940970500353 0.76875881271983 0.74685281119465 28.085 > 31 45 Si 0.00000000000000 0.41106063959809 0.25000000000000 28.085 > 33 46 Si 0.00000000000000 0.91106063959809 0.25000000000000 28.085 > 33 47 Si 0.11940970500353 0.23124118728017 0.24685281119464 28.085 > 35 48 Si 0.11940970500353 0.73124118728017 0.24685281119464 28.085 > 35 49 O 0.28452039619016 0.04407855891921 0.61912055023650 15.999 > 49 50 O 0.28452039619016 0.54407855891921 0.61912055023650 15.999 > 49 51 O 0.37486281370212 0.04416801533295 0.88820397264008 15.999 > 51 52 O 0.37486281370212 0.54416801533295 0.88820397264008 15.999 > 51 53 O 0.39802764576452 0.40749157725464 0.75187527946767 15.999 > 53 54 O 0.39802764576452 0.90749157725464 0.75187527946767 15.999 > 53 55 O 0.28452039619016 0.45592144108079 0.11912055023650 15.999 > 55 56 O 0.28452039619016 0.95592144108079 0.11912055023650 15.999 > 55 57 O 0.37486281370212 0.45583198466705 0.38820397264008 15.999 > 57 58 O 0.37486281370212 0.95583198466705 0.38820397264008 15.999 > 57 59 O 0.45473498730521 0.28760035107826 0.61587321311705 15.999 > 59 60 O 0.45473498730521 0.78760035107826 0.61587321311705 15.999 > 59 61 O 0.50000000000000 0.06106468325398 0.75000000000000 15.999 > 61 62 O 0.50000000000000 0.56106468325398 0.75000000000000 15.999 > 61 63 O 0.54526501269479 0.28760035107826 0.88412678688295 15.999 > 63 64 O 0.54526501269479 0.78760035107826 0.88412678688295 15.999 > 63 65 O 0.39802764576452 0.09250842274536 0.25187527946767 15.999 > 65 66 O 0.39802764576452 0.59250842274536 0.25187527946767 15.999 > 65 67 O 0.60197235423548 0.40749157725464 0.74812472053233 15.999 > 67 68 O 0.60197235423548 0.90749157725464 0.74812472053233 15.999 > 67 69 O 0.45473498730521 0.21239964892174 0.11587321311705 15.999 > 69 70 O 0.45473498730521 0.71239964892174 0.11587321311705 15.999 > 69 71 O 0.50000000000000 0.43893531674602 0.25000000000000 15.999 > 71 72 O 0.50000000000000 0.93893531674602 0.25000000000000 15.999 > 71 73 O 0.54526501269479 0.21239964892174 0.38412678688295 15.999 > 73 74 O 0.54526501269479 0.71239964892174 0.38412678688295 15.999 > 73 75 O 0.62513718629788 0.04416801533295 0.61179602735992 15.999 > 75 76 O 0.62513718629788 0.54416801533295 0.61179602735992 15.999 > 75 77 O 0.71547960380984 0.04407855891921 0.88087944976350 15.999 > 77 78 O 0.71547960380984 0.54407855891921 0.88087944976350 15.999 > 77 79 O 0.60197235423548 0.09250842274536 0.24812472053233 15.999 > 79 80 O 0.60197235423548 0.59250842274536 0.24812472053233 15.999 > 79 81 O 0.62513718629788 0.45583198466705 0.11179602735992 15.999 > 81 82 O 0.62513718629788 0.95583198466705 0.11179602735992 15.999 > 81 83 O 0.71547960380984 0.45592144108079 0.38087944976350 15.999 > 83 84 O 0.71547960380984 0.95592144108079 0.38087944976350 15.999 > 83 85 O 0.78452039619016 0.29407855891921 0.61912055023650 15.999 > 49 86 O 0.78452039619016 0.79407855891921 0.61912055023650 15.999 > 49 87 O 0.87486281370212 0.29416801533295 0.88820397264008 15.999 > 51 88 O 0.87486281370212 0.79416801533295 0.88820397264008 15.999 > 51 89 O 0.89802764576452 0.15749157725464 0.75187527946767 15.999 > 53 90 O 0.89802764576452 0.65749157725464 0.75187527946767 15.999 > 53 91 O 0.78452039619016 0.20592144108079 0.11912055023650 15.999 > 55 92 O 0.78452039619016 0.70592144108079 0.11912055023650 15.999 > 55 93 O 0.87486281370212 0.20583198466705 0.38820397264008 15.999 > 57 94 O 0.87486281370212 0.70583198466705 0.38820397264008 15.999 > 57 95 O 0.95473498730521 0.03760035107826 0.61587321311705 15.999 > 59 96 O 0.95473498730521 0.53760035107826 0.61587321311705 15.999 > 59 97 O 0.00000000000000 0.31106468325398 0.75000000000000 15.999 > 61 98 O 0.00000000000000 0.81106468325398 0.75000000000000 15.999 > 61 99 O 0.04526501269479 0.03760035107826 0.88412678688295 15.999 > 63 100 O 0.04526501269479 0.53760035107826 0.88412678688295 15.999 > 63 101 O 0.89802764576452 0.34250842274536 0.25187527946767 15.999 > 65 102 O 0.89802764576452 0.84250842274536 0.25187527946767 15.999 > 65 103 O 0.10197235423548 0.15749157725464 0.74812472053233 15.999 > 67 104 O 0.10197235423548 0.65749157725464 0.74812472053233 15.999 > 67 105 O 0.95473498730521 0.46239964892174 0.11587321311705 15.999 > 69 106 O 0.95473498730521 0.96239964892174 0.11587321311705 15.999 > 69 107 O 0.00000000000000 0.18893531674602 0.25000000000000 15.999 > 71 108 O 0.00000000000000 0.68893531674602 0.25000000000000 15.999 > 71 109 O 0.04526501269479 0.46239964892174 0.38412678688295 15.999 > 73 110 O 0.04526501269479 0.96239964892174 0.38412678688295 15.999 > 73 111 O 0.12513718629788 0.29416801533295 0.61179602735992 15.999 > 75 112 O 0.12513718629788 0.79416801533295 0.61179602735992 15.999 > 75 113 O 0.21547960380984 0.29407855891921 0.88087944976350 15.999 > 77 114 O 0.21547960380984 0.79407855891921 0.88087944976350 15.999 > 77 115 O 0.10197235423548 0.34250842274536 0.24812472053233 15.999 > 79 116 O 0.10197235423548 0.84250842274536 0.24812472053233 15.999 > 79 117 O 0.12513718629788 0.20583198466705 0.11179602735992 15.999 > 81 118 O 0.12513718629788 0.70583198466705 0.11179602735992 15.999 > 81 119 O 0.21547960380984 0.20592144108079 0.38087944976350 15.999 > 83 120 O 0.21547960380984 0.70592144108079 0.38087944976350 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8217727 0.0000000 0.0034994 0.0000000 2.8199757 0.0000000 0.0034990 0.0000000 2.9541010 -------------------------- Born effective charges -------------------------- 1 Ba 2.8126437 0.2809137 0.2107879 0.2826712 2.4662025 0.1169777 0.1086807 0.0555521 2.6130336 2 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 3 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 4 Ba 2.5476859 0.1317152 -0.0752001 0.1303840 2.7125264 0.0516035 -0.0361615 0.0278466 2.6152420 5 Ba 2.5476859 -0.1317152 -0.0752001 -0.1303840 2.7125264 -0.0516035 -0.0361615 -0.0278466 2.6152420 6 Ba 2.8126437 -0.2809137 0.2107879 -0.2826712 2.4662025 -0.1169777 0.1086807 -0.0555521 2.6130336 7 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 8 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 9 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 10 Si 2.7733962 0.1180942 -0.0152605 0.1225465 2.6304304 -0.0011764 -0.0037113 -0.0034691 3.2510807 11 Si 2.5746409 -0.0000000 0.0020024 -0.0000000 2.8431096 -0.0000000 0.0041468 0.0000000 3.2586963 12 Si 2.7733962 -0.1180942 -0.0152605 -0.1225465 2.6304304 0.0011764 -0.0037113 0.0034691 3.2510807 13 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 14 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 15 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 16 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 17 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 18 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 19 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 20 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 21 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 22 O -1.5830902 -0.6146215 0.0044955 -0.6184158 -2.2968580 0.0152901 0.0111589 0.0003114 -1.6618497 23 O -1.5056574 0.0001363 -0.0121807 0.0164152 -1.9282250 0.5061902 -0.0160086 0.4512321 -2.0945190 24 O -2.6552071 -0.0000000 0.0275505 -0.0000000 -1.2212081 -0.0000000 0.0082257 0.0000000 -1.6530220 25 O -1.5056574 -0.0001363 -0.0121807 -0.0164152 -1.9282250 -0.5061902 -0.0160086 -0.4512321 -2.0945190 26 O -1.7771318 -0.1835164 0.4234680 -0.1836699 -1.5668326 0.2455876 0.3808313 0.2234865 -2.0975632 27 O -1.8212415 -0.1720811 -0.4454925 -0.1874602 -1.5950932 -0.2592176 -0.3966354 -0.2256389 -2.1217447 28 O -1.5830902 0.6146215 0.0044955 0.6184158 -2.2968580 -0.0152901 0.0111589 -0.0003114 -1.6618497 29 O -1.7771318 0.1835164 0.4234680 0.1836699 -1.5668326 -0.2455876 0.3808313 -0.2234865 -2.0975632 30 O -1.8212415 0.1720811 -0.4454925 0.1874602 -1.5950932 0.2592176 -0.3966354 0.2256389 -2.1217447 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.237 ( 0.000 0.000 0.000) 0.000 19.916 ( 0.000 0.000 0.000) 0.000 20.002 ( 0.000 0.000 0.000) 0.000 20.018 ( 0.000 0.000 0.000) 0.000 20.142 ( 0.000 0.000 0.000) 0.000 26.019 ( 0.000 0.000 0.000) 0.000 26.020 ( 0.000 0.000 0.000) 0.000 26.381 ( 0.000 0.000 0.000) 0.000 26.478 ( 0.000 0.000 0.000) 0.000 26.479 ( 0.000 0.000 0.000) 0.000 26.586 ( 0.000 0.000 0.000) 0.000 27.852 ( 0.000 0.000 0.000) 0.000 27.864 ( 0.000 0.000 0.000) 0.000 27.924 ( 0.000 0.000 0.000) 0.000 27.939 ( 0.000 0.000 0.000) 0.000 28.046 ( 0.000 0.000 0.000) 0.000 28.063 ( 0.000 0.000 0.000) 0.000 30.076 ( 0.000 0.000 0.000) 0.000 30.309 ( 0.000 0.000 0.000) 0.000 30.326 ( 0.000 0.000 0.000) 0.000 30.328 ( 0.000 0.000 0.000) 0.000 30.342 ( 0.000 0.000 0.000) 0.000 32.748 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 2.185 -23.220 12.043) 26.249 0.598 ( 15.464 -25.721 1.752) 30.063 0.968 ( 25.107 -37.236 20.034) 49.176 1.992 ( 2.725 -1.876 -0.805) 3.405 2.102 ( 2.145 -4.025 -1.418) 4.777 2.766 ( -1.188 3.086 -0.888) 3.424 2.810 ( -1.580 3.316 -1.280) 3.890 2.863 ( -4.333 2.682 0.203) 5.100 2.888 ( -4.253 3.342 -0.229) 5.413 2.980 ( -4.950 8.985 0.123) 10.259 3.024 ( -3.337 7.285 -0.809) 8.054 3.042 ( -3.063 6.006 0.361) 6.752 3.100 ( -2.903 6.041 -0.348) 6.712 3.249 ( 0.121 -0.650 -1.617) 1.747 3.293 ( 2.601 -2.502 1.606) 3.950 3.377 ( -0.580 -4.789 -2.226) 5.313 3.442 ( 2.409 -5.330 2.330) 6.296 4.003 ( 0.367 3.299 -0.874) 3.433 4.025 ( -0.233 1.638 0.644) 1.775 4.185 ( -4.121 8.164 -4.815) 10.336 4.304 ( 1.461 -1.938 -0.593) 2.498 4.358 ( -0.558 -1.494 0.387) 1.641 4.438 ( 3.353 -1.566 -2.630) 4.540 4.615 ( 0.450 -0.494 -3.289) 3.356 4.650 ( -0.707 0.040 -0.768) 1.045 4.961 ( 0.295 0.536 -2.328) 2.407 4.978 ( -0.754 1.091 -0.605) 1.457 5.078 ( 0.811 1.213 -7.171) 7.318 5.127 ( 0.103 -3.733 4.463) 5.820 5.328 ( 1.254 -4.603 -4.442) 6.518 5.463 ( 1.383 -1.000 -13.200) 13.310 5.473 ( -0.706 -0.072 -6.176) 6.217 5.588 ( 0.695 -4.314 -34.418) 34.694 5.749 ( 4.955 -0.735 10.504) 11.638 6.061 ( -4.307 7.161 6.479) 10.574 6.103 ( -7.069 16.442 57.966) 60.666 7.772 ( 0.576 1.557 -2.658) 3.134 7.894 ( -2.532 3.292 3.164) 5.221 8.091 ( -5.517 6.784 -6.899) 11.138 8.194 ( -2.177 5.897 0.112) 6.287 8.198 ( -4.642 1.765 4.626) 6.787 8.249 ( -1.320 2.291 0.131) 2.647 9.073 ( 1.023 0.889 -0.671) 1.512 9.209 ( -2.841 -7.332 -2.574) 8.274 9.299 ( 2.959 -1.387 -3.462) 4.761 9.397 ( 7.624 -2.165 4.439) 9.084 9.630 ( 0.388 -1.862 -10.499) 10.670 9.699 ( -1.549 -0.807 10.868) 11.008 9.816 ( 4.626 -4.864 -1.387) 6.855 9.899 ( 4.373 -11.475 1.545) 12.377 10.169 ( 1.879 -1.437 0.804) 2.498 10.247 ( 0.835 -2.685 -0.913) 2.956 12.229 ( 2.339 -0.883 -0.759) 2.612 12.301 ( 1.909 -1.148 0.719) 2.340 12.399 ( 4.329 -8.137 0.783) 9.250 13.106 ( 0.357 -0.835 -12.048) 12.082 13.120 ( -2.197 3.430 -0.373) 4.090 13.124 ( -0.567 1.333 -3.349) 3.649 13.269 ( -1.413 -0.359 -8.705) 8.826 13.378 ( -0.584 1.413 7.212) 7.372 13.623 ( -2.037 1.945 -9.380) 9.793 13.694 ( -1.334 3.033 6.337) 7.151 14.916 ( 0.304 1.742 13.350) 13.466 15.401 ( -0.251 -2.174 -1.086) 2.443 15.482 ( -0.995 2.072 0.476) 2.348 15.533 ( -0.626 1.422 -0.635) 1.679 16.228 ( 0.006 -0.069 -0.125) 0.143 16.252 ( 0.659 -1.458 -0.296) 1.627 19.902 ( -0.746 0.331 -2.053) 2.210 20.037 ( 2.768 -1.023 2.919) 4.150 20.152 ( -0.024 -1.341 -0.853) 1.590 20.648 ( -1.817 -1.054 -14.562) 14.712 26.019 ( -0.025 0.054 -0.011) 0.060 26.021 ( 0.022 -0.106 0.009) 0.109 26.412 ( 5.064 4.234 -0.937) 6.667 26.439 ( -2.608 2.305 -0.396) 3.503 26.497 ( 1.763 -0.604 1.644) 2.485 26.961 ( -4.735 -1.134 -8.840) 10.092 27.870 ( 1.140 0.052 -0.939) 1.477 27.898 ( 3.427 -0.302 0.579) 3.488 27.940 ( 1.802 -1.453 -0.640) 2.401 28.066 ( 2.201 -1.126 1.105) 2.708 28.113 ( 0.069 -5.401 -0.380) 5.415 29.052 ( 5.069 -13.717 -81.389) 82.693 30.301 ( -1.996 3.565 22.489) 22.857 30.313 ( -4.259 5.684 34.516) 35.239 30.340 ( -0.628 -1.363 1.876) 2.402 30.370 ( -0.255 0.927 17.782) 17.808 30.382 ( -2.013 4.034 30.939) 31.266 32.598 ( -7.635 12.987 -0.247) 15.067 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.246 -23.010 11.058) 25.880 1.152 ( 13.127 -22.973 1.394) 26.496 1.833 ( 19.611 -29.656 16.276) 39.102 2.061 ( 3.548 -3.409 -2.022) 5.320 2.195 ( 3.525 -3.726 -4.003) 6.506 2.584 ( -7.046 13.559 -2.466) 15.478 2.701 ( -5.554 7.165 -2.351) 9.366 2.713 ( -5.360 3.781 0.470) 6.576 2.747 ( -6.603 4.500 0.177) 7.992 2.828 ( -3.011 6.762 -2.317) 7.756 2.918 ( -1.107 2.295 2.262) 3.407 2.939 ( -2.279 3.131 1.051) 4.012 2.966 ( -2.359 5.777 -1.179) 6.350 3.218 ( -1.487 2.527 -3.065) 4.242 3.349 ( 1.780 -1.025 1.630) 2.622 3.418 ( -1.495 -2.458 -1.369) 3.186 3.561 ( 1.858 -4.619 3.774) 6.247 3.947 ( 0.138 4.427 -4.361) 6.216 3.987 ( 0.489 2.829 -0.056) 2.872 4.034 ( 0.527 2.973 -1.268) 3.275 4.332 ( 2.193 0.688 1.527) 2.759 4.359 ( -0.979 0.264 -1.632) 1.921 4.480 ( 1.842 -1.677 -4.566) 5.201 4.623 ( 1.508 -0.034 -7.075) 7.234 4.633 ( -0.614 -0.266 1.245) 1.414 4.945 ( 0.246 0.761 -3.909) 3.990 4.950 ( -0.433 0.415 0.575) 0.831 5.040 ( -0.626 1.417 -1.760) 2.345 5.211 ( -1.811 -3.240 2.271) 4.351 5.339 ( -0.285 2.850 -11.216) 11.576 5.441 ( 0.037 -0.240 3.149) 3.159 5.474 ( 0.586 -0.701 -1.673) 1.906 5.541 ( -0.030 -0.691 -1.260) 1.438 5.842 ( 4.010 0.224 8.305) 9.225 5.927 ( -4.155 5.395 4.695) 8.271 5.978 ( -3.337 6.846 11.638) 13.909 7.718 ( -3.951 2.136 -4.024) 6.030 7.774 ( -5.607 7.298 3.566) 9.870 7.901 ( -1.201 7.118 -4.167) 8.335 8.053 ( -2.788 6.994 0.381) 7.539 8.152 ( -3.871 0.743 2.617) 4.732 8.187 ( -1.141 3.268 0.172) 3.465 9.070 ( 1.579 0.635 -1.286) 2.134 9.256 ( -1.458 -3.311 -4.356) 5.662 9.370 ( -0.046 -3.986 2.655) 4.789 9.523 ( 4.032 -4.181 -1.567) 6.016 9.640 ( 1.233 -2.624 -7.748) 8.273 9.736 ( -0.997 -0.646 8.006) 8.094 9.968 ( 5.331 -6.981 -0.318) 8.790 10.160 ( 5.885 -10.144 -0.049) 11.728 10.246 ( 4.155 -4.782 3.809) 7.392 10.318 ( 2.009 -4.174 -0.614) 4.673 12.279 ( 2.008 -2.689 -0.705) 3.429 12.353 ( 1.986 -2.352 0.936) 3.218 12.606 ( 5.160 -8.770 1.543) 10.291 13.008 ( -3.768 5.597 0.268) 6.753 13.030 ( -2.110 3.971 -0.847) 4.576 13.109 ( 0.008 -0.125 -6.147) 6.148 13.232 ( -0.113 0.466 -5.011) 5.034 13.360 ( -1.541 3.006 7.449) 8.179 13.533 ( -1.970 1.734 -8.052) 8.469 13.627 ( -2.901 4.618 4.278) 6.932 14.951 ( 2.086 0.279 6.892) 7.206 15.412 ( -1.733 1.063 -0.590) 2.116 15.452 ( -0.402 -0.850 -0.446) 1.040 15.493 ( -0.585 1.745 -0.997) 2.093 16.240 ( 0.637 -1.130 -0.102) 1.301 16.291 ( 1.019 -2.184 -0.433) 2.449 19.882 ( -0.328 0.504 -1.803) 1.901 20.103 ( 2.934 -1.667 4.050) 5.271 20.179 ( -0.111 -2.537 -1.724) 3.069 20.569 ( -2.337 2.725 -7.182) 8.029 26.018 ( -0.033 0.020 0.019) 0.043 26.023 ( 0.022 -0.100 -0.024) 0.106 26.337 ( -3.537 3.726 -0.500) 5.162 26.407 ( 1.656 1.485 -1.233) 2.543 26.541 ( 2.333 -1.355 2.485) 3.668 26.881 ( -2.905 2.281 -6.846) 7.779 27.865 ( -0.741 0.366 -0.561) 0.999 27.931 ( 2.072 -0.151 0.803) 2.227 28.018 ( 4.335 -4.361 -1.912) 6.440 28.133 ( 3.955 -1.885 3.285) 5.476 28.215 ( -0.826 -6.943 -0.869) 7.046 28.992 ( 0.206 -2.677 -32.585) 32.695 30.306 ( 0.530 -0.507 -3.252) 3.334 30.311 ( -4.202 6.876 38.804) 39.632 30.364 ( -0.555 0.128 6.477) 6.502 30.382 ( 0.143 -0.762 2.421) 2.543 30.519 ( 4.953 -8.560 2.537) 10.210 32.202 ( -12.422 21.140 -1.578) 24.571 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 6.809 -21.497 9.767) 24.573 1.601 ( 8.745 -16.661 0.598) 18.827 2.148 ( 2.441 -2.602 -2.625) 4.429 2.197 ( -0.910 5.374 -5.076) 7.448 2.214 ( 0.402 5.331 -0.881) 5.418 2.361 ( -4.586 1.600 1.165) 4.995 2.487 ( -5.916 5.390 -2.471) 8.376 2.609 ( -5.170 5.178 0.534) 7.336 2.644 ( -1.613 1.169 2.719) 3.370 2.780 ( 1.557 0.381 -0.649) 1.729 2.853 ( -1.084 3.211 -2.560) 4.247 2.918 ( -0.919 -0.810 6.464) 6.579 2.979 ( 5.613 -9.416 3.268) 11.439 3.125 ( -1.253 3.854 -5.388) 6.742 3.380 ( 1.517 -0.186 1.365) 2.049 3.426 ( -1.344 -0.798 -0.305) 1.593 3.650 ( 0.808 -2.436 3.689) 4.493 3.846 ( 0.751 4.999 -2.537) 5.656 3.983 ( 2.166 0.167 -1.110) 2.439 4.018 ( 0.035 1.142 1.664) 2.019 4.346 ( -0.470 -0.890 1.776) 2.041 4.358 ( 0.972 -1.858 -0.297) 2.118 4.476 ( 0.416 1.146 -4.592) 4.751 4.574 ( -0.456 2.074 -6.607) 6.939 4.659 ( 0.279 -1.035 -0.450) 1.163 4.926 ( -2.180 -0.681 0.323) 2.307 4.952 ( 3.260 0.628 -4.570) 5.648 5.000 ( -1.326 1.948 0.644) 2.443 5.139 ( -3.906 9.555 -0.942) 10.366 5.208 ( -3.164 2.309 1.369) 4.149 5.494 ( 0.875 -1.621 -1.442) 2.339 5.523 ( 1.444 -5.032 5.045) 7.270 5.594 ( 0.678 -2.316 4.094) 4.753 5.843 ( 2.268 2.769 -4.494) 5.745 5.854 ( -3.408 1.084 1.814) 4.010 5.946 ( 1.328 1.173 5.373) 5.657 7.591 ( -3.120 4.927 -2.892) 6.510 7.635 ( -4.897 4.419 2.666) 7.114 7.815 ( -0.014 1.768 -2.674) 3.206 7.936 ( -1.494 4.394 0.658) 4.687 8.104 ( -2.070 1.926 0.246) 2.838 8.147 ( -0.785 0.784 1.020) 1.507 9.069 ( 1.053 0.497 -1.020) 1.548 9.275 ( -0.557 -1.616 -2.172) 2.764 9.425 ( -0.885 -2.115 1.859) 2.951 9.589 ( 1.267 -1.980 -2.435) 3.384 9.671 ( 0.983 -2.142 -3.911) 4.567 9.755 ( -0.865 0.005 3.627) 3.729 10.120 ( 2.891 -5.720 0.193) 6.411 10.290 ( 4.241 -1.831 0.687) 4.670 10.389 ( 0.628 -3.762 -0.326) 3.828 10.440 ( 4.640 -6.318 2.475) 8.220 12.339 ( 1.561 -2.264 -0.409) 2.780 12.419 ( 1.750 -2.624 0.760) 3.244 12.749 ( 1.626 -3.066 0.632) 3.528 12.885 ( -3.228 4.729 1.017) 5.815 12.969 ( -0.100 0.809 -0.109) 0.823 13.076 ( -0.766 1.098 -3.248) 3.513 13.211 ( 0.689 0.666 -3.041) 3.189 13.317 ( -2.011 2.330 5.146) 5.996 13.478 ( -0.805 -0.072 -5.954) 6.008 13.537 ( -2.393 4.213 3.505) 5.980 14.992 ( 1.848 -0.184 3.492) 3.955 15.370 ( -0.985 1.315 -0.250) 1.662 15.437 ( -1.121 1.217 -0.365) 1.694 15.491 ( 0.203 -1.298 -1.042) 1.677 16.272 ( 0.839 -1.426 0.060) 1.656 16.331 ( 0.751 -1.592 -0.365) 1.797 19.867 ( 0.013 0.439 -0.910) 1.011 20.171 ( 2.501 -1.094 4.190) 5.001 20.217 ( -0.397 -3.105 -2.269) 3.866 20.469 ( -2.099 3.580 -3.923) 5.710 26.018 ( -0.028 -0.081 0.083) 0.119 26.023 ( 0.008 0.028 -0.090) 0.094 26.252 ( -2.543 2.302 -0.404) 3.454 26.397 ( 0.807 0.722 -0.800) 1.347 26.605 ( 2.637 -2.085 3.486) 4.843 26.784 ( -2.669 2.951 -6.002) 7.201 27.847 ( -1.008 0.369 -0.032) 1.074 27.951 ( 1.362 -0.022 0.205) 1.378 28.126 ( 4.201 -4.051 -3.125) 6.620 28.205 ( 1.898 -0.589 5.171) 5.540 28.312 ( -0.355 -5.572 -0.436) 5.600 28.902 ( -1.381 1.413 -13.965) 14.104 30.304 ( -2.623 4.454 24.376) 24.918 30.305 ( 0.727 -1.049 -7.124) 7.238 30.381 ( 0.582 -0.208 1.534) 1.654 30.408 ( -0.053 -1.394 -0.366) 1.442 30.782 ( 8.108 -13.962 3.888) 16.607 31.692 ( -13.274 22.624 -3.323) 26.441 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 -0.000 -0.000) 0.000 1.828 ( -0.000 -0.000 -0.000) 0.000 1.930 ( 0.000 -0.000 0.000) 0.000 2.107 ( 0.000 -0.000 0.000) 0.000 2.226 ( 0.000 -0.000 0.000) 0.000 2.349 ( 0.000 -0.000 -0.000) 0.000 2.397 ( 0.000 -0.000 0.000) 0.000 2.518 ( 0.000 -0.000 -0.000) 0.000 2.642 ( 0.000 -0.000 -0.000) 0.000 2.763 ( 0.000 -0.000 0.000) 0.000 2.818 ( 0.000 -0.000 -0.000) 0.000 2.974 ( 0.000 -0.000 -0.000) 0.000 3.008 ( 0.000 -0.000 0.000) 0.000 3.212 ( 0.000 -0.000 -0.000) 0.000 3.393 ( 0.000 -0.000 0.000) 0.000 3.424 ( 0.000 -0.000 0.000) 0.000 3.676 ( 0.000 -0.000 -0.000) 0.000 3.793 ( 0.000 -0.000 -0.000) 0.000 3.995 ( 0.000 -0.000 -0.000) 0.000 4.004 ( -0.000 -0.000 0.000) 0.000 4.377 ( 0.000 -0.000 -0.000) 0.000 4.398 ( 0.000 -0.000 0.000) 0.000 4.444 ( 0.000 -0.000 -0.000) 0.000 4.519 ( 0.000 -0.000 0.000) 0.000 4.662 ( 0.000 -0.000 0.000) 0.000 4.933 ( -0.000 -0.000 0.000) 0.000 4.936 ( 0.000 0.000 -0.000) 0.000 4.976 ( 0.000 -0.000 -0.000) 0.000 5.017 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.512 ( 0.000 -0.000 0.000) 0.000 5.600 ( 0.000 -0.000 0.000) 0.000 5.628 ( 0.000 -0.000 0.000) 0.000 5.815 ( 0.000 -0.000 -0.000) 0.000 5.831 ( -0.000 -0.000 0.000) 0.000 5.955 ( 0.000 -0.000 0.000) 0.000 7.526 ( 0.000 -0.000 0.000) 0.000 7.573 ( 0.000 -0.000 0.000) 0.000 7.798 ( 0.000 -0.000 0.000) 0.000 7.892 ( 0.000 -0.000 0.000) 0.000 8.075 ( 0.000 -0.000 0.000) 0.000 8.139 ( 0.000 -0.000 0.000) 0.000 9.067 ( 0.000 -0.000 -0.000) 0.000 9.282 ( 0.000 -0.000 0.000) 0.000 9.441 ( 0.000 -0.000 0.000) 0.000 9.605 ( 0.000 -0.000 -0.000) 0.000 9.688 ( 0.000 -0.000 0.000) 0.000 9.756 ( 0.000 -0.000 -0.000) 0.000 10.187 ( 0.000 -0.000 0.000) 0.000 10.327 ( 0.000 -0.000 0.000) 0.000 10.422 ( 0.000 -0.000 0.000) 0.000 10.525 ( 0.000 -0.000 0.000) 0.000 12.367 ( 0.000 -0.000 0.000) 0.000 12.457 ( 0.000 -0.000 0.000) 0.000 12.774 ( 0.000 -0.000 0.000) 0.000 12.822 ( 0.000 -0.000 -0.000) 0.000 12.977 ( 0.000 -0.000 0.000) 0.000 13.050 ( 0.000 -0.000 0.000) 0.000 13.202 ( 0.000 -0.000 0.000) 0.000 13.297 ( 0.000 -0.000 0.000) 0.000 13.470 ( 0.000 -0.000 0.000) 0.000 13.488 ( 0.000 -0.000 0.000) 0.000 15.011 ( 0.000 -0.000 0.000) 0.000 15.354 ( 0.000 -0.000 0.000) 0.000 15.418 ( 0.000 -0.000 0.000) 0.000 15.502 ( 0.000 -0.000 0.000) 0.000 16.290 ( 0.000 -0.000 0.000) 0.000 16.348 ( 0.000 -0.000 0.000) 0.000 19.861 ( 0.000 -0.000 -0.000) 0.000 20.203 ( 0.000 -0.000 0.000) 0.000 20.245 ( 0.000 -0.000 -0.000) 0.000 20.411 ( 0.000 -0.000 -0.000) 0.000 26.020 ( 0.000 -0.000 0.000) 0.000 26.022 ( 0.000 -0.000 0.000) 0.000 26.219 ( 0.000 -0.000 0.000) 0.000 26.393 ( 0.000 -0.000 0.000) 0.000 26.679 ( -0.000 -0.000 -0.000) 0.000 26.698 ( 0.000 -0.000 0.000) 0.000 27.839 ( 0.000 -0.000 -0.000) 0.000 27.958 ( 0.000 -0.000 0.000) 0.000 28.183 ( 0.000 -0.000 -0.000) 0.000 28.222 ( -0.000 0.000 0.000) 0.000 28.365 ( 0.000 -0.000 0.000) 0.000 28.846 ( 0.000 -0.000 -0.000) 0.000 30.302 ( 0.000 -0.000 -0.000) 0.000 30.303 ( -0.000 0.000 0.000) 0.000 30.389 ( 0.000 -0.000 0.000) 0.000 30.419 ( 0.000 -0.000 -0.000) 0.000 31.104 ( 0.000 -0.000 0.000) 0.000 31.270 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 28.020 0.000 2.194) 28.105 0.587 ( 23.307 0.000 16.037) 28.292 1.058 ( 37.700 0.000 38.819) 54.113 2.023 ( 6.438 0.000 -1.213) 6.551 2.080 ( 3.259 0.000 -3.270) 4.617 2.770 ( -2.291 -0.000 -1.481) 2.728 2.803 ( -5.686 -0.000 -2.529) 6.223 2.846 ( -8.574 -0.000 -1.902) 8.782 2.876 ( -1.957 -0.000 1.682) 2.581 2.975 ( -10.751 -0.000 -0.618) 10.769 3.029 ( -6.352 -0.000 0.262) 6.358 3.043 ( -8.668 -0.000 -1.178) 8.748 3.119 ( -6.046 -0.000 -1.014) 6.130 3.262 ( 1.793 0.000 -0.381) 1.833 3.307 ( 3.438 0.000 2.264) 4.117 3.324 ( 2.141 0.000 -3.957) 4.499 3.442 ( 5.371 0.000 1.994) 5.730 4.018 ( -1.994 -0.000 -1.251) 2.354 4.041 ( -1.060 -0.000 0.088) 1.064 4.147 ( -7.299 -0.000 -7.880) 10.741 4.221 ( 0.532 0.000 -4.223) 4.256 4.385 ( 4.062 0.000 1.204) 4.237 4.460 ( 4.572 0.000 -5.732) 7.332 4.605 ( 1.654 0.000 -3.043) 3.464 4.636 ( -1.169 -0.000 -1.579) 1.964 4.952 ( 0.325 0.000 -4.263) 4.275 4.981 ( 1.424 0.000 -4.708) 4.919 5.051 ( 2.485 0.000 -13.028) 13.263 5.116 ( 1.018 0.000 4.395) 4.512 5.338 ( 3.815 0.000 4.779) 6.115 5.342 ( 12.257 0.000 -31.131) 33.457 5.460 ( -0.643 -0.000 -10.636) 10.655 5.484 ( -1.555 -0.000 4.864) 5.107 5.857 ( 7.512 0.000 9.386) 12.022 6.072 ( -9.628 -0.000 6.257) 11.482 6.364 ( -32.193 -0.000 55.450) 64.117 7.741 ( -3.656 -0.000 -8.473) 9.228 7.999 ( -0.456 -0.000 8.037) 8.050 8.063 ( -8.003 -0.000 -6.418) 10.259 8.105 ( -4.672 -0.000 2.235) 5.179 8.219 ( -5.225 -0.000 -0.454) 5.244 8.237 ( -2.933 -0.000 0.825) 3.047 9.099 ( 1.761 0.000 -0.042) 1.761 9.137 ( 0.156 0.000 -1.790) 1.797 9.324 ( 3.406 0.000 -2.381) 4.155 9.487 ( 4.950 0.000 -0.062) 4.950 9.534 ( 1.863 0.000 -10.717) 10.878 9.740 ( 1.999 0.000 9.303) 9.516 9.839 ( 6.429 0.000 2.242) 6.809 9.859 ( 10.742 0.000 2.077) 10.941 10.157 ( 2.293 0.000 -2.121) 3.124 10.248 ( 2.293 0.000 1.019) 2.510 12.277 ( 2.038 0.000 0.468) 2.091 12.323 ( 2.198 0.000 -0.467) 2.247 12.375 ( 8.914 0.000 1.402) 9.023 12.995 ( 11.512 0.000 -29.816) 31.961 13.113 ( -4.036 -0.000 -0.375) 4.053 13.129 ( -2.764 -0.000 -0.630) 2.835 13.240 ( 0.214 0.000 -4.214) 4.219 13.414 ( -1.117 -0.000 9.914) 9.977 13.569 ( -3.919 -0.000 -10.613) 11.313 13.721 ( -2.959 -0.000 4.458) 5.351 15.001 ( -4.197 -0.000 19.613) 20.057 15.373 ( -0.331 -0.000 -1.709) 1.741 15.486 ( -2.154 -0.000 0.481) 2.207 15.532 ( -1.337 -0.000 -1.024) 1.684 16.228 ( 0.083 0.000 -0.250) 0.264 16.247 ( 1.302 0.000 -0.444) 1.376 19.917 ( 0.653 0.000 -1.205) 1.371 20.046 ( 2.942 0.000 -0.398) 2.968 20.136 ( -0.257 -0.000 -0.647) 0.696 20.545 ( 5.814 0.000 -19.510) 20.358 26.019 ( -0.033 0.000 -0.026) 0.042 26.020 ( 0.027 0.000 0.012) 0.030 26.430 ( -4.313 -0.000 -0.497) 4.342 26.479 ( -0.169 -0.000 0.883) 0.899 26.577 ( -0.484 -0.000 -1.475) 1.552 26.816 ( 5.087 0.000 -14.213) 15.096 27.898 ( 4.164 0.000 -1.819) 4.544 27.938 ( 1.684 0.000 -0.554) 1.773 27.955 ( 1.015 0.000 0.228) 1.041 28.051 ( -0.892 -0.000 -0.462) 1.005 28.101 ( 4.897 0.000 1.639) 5.164 28.689 ( 27.935 0.000 -71.247) 76.528 30.314 ( 0.935 0.000 -0.240) 0.966 30.344 ( 1.904 0.000 -0.142) 1.909 30.350 ( 1.545 0.000 0.162) 1.553 30.350 ( 1.660 0.000 1.483) 2.226 30.771 ( -46.875 -0.000 112.572) 121.942 32.594 ( -15.417 -0.000 -0.460) 15.423 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 19.876 -5.092 13.855) 24.758 1.029 ( 21.978 -13.931 6.386) 26.793 1.740 ( 30.377 -19.216 28.016) 45.573 2.069 ( 5.844 -0.015 -2.821) 6.489 2.153 ( 5.482 -3.798 -5.705) 8.776 2.660 ( -12.902 6.447 -1.904) 14.548 2.702 ( -10.175 3.884 -2.189) 11.109 2.707 ( -7.248 3.285 -2.862) 8.457 2.778 ( -3.448 5.338 0.106) 6.355 2.883 ( -4.659 3.621 -1.029) 5.990 2.927 ( -5.685 0.884 0.315) 5.762 2.941 ( -5.056 2.730 0.942) 5.823 3.013 ( -5.056 3.953 -1.991) 6.720 3.253 ( -0.222 2.170 0.217) 2.192 3.334 ( 0.385 -1.417 -1.407) 2.033 3.369 ( 1.733 -2.190 -0.079) 2.794 3.526 ( 3.371 -3.268 2.510) 5.324 3.984 ( -4.506 1.175 -6.369) 7.889 4.000 ( 0.292 1.546 -1.761) 2.362 4.047 ( -2.232 0.733 -1.797) 2.957 4.289 ( 0.087 -6.162 -4.626) 7.706 4.410 ( 3.113 2.635 2.130) 4.601 4.459 ( 2.284 0.735 -6.208) 6.655 4.610 ( 0.142 0.436 -5.408) 5.427 4.628 ( 1.565 -0.587 0.080) 1.673 4.947 ( 2.256 -0.610 -5.868) 6.316 4.961 ( -1.196 2.140 0.494) 2.500 5.023 ( -0.334 -0.461 -6.938) 6.961 5.173 ( -0.122 -2.580 6.460) 6.957 5.320 ( 3.228 -0.173 -14.165) 14.529 5.436 ( 0.132 -3.133 -4.463) 5.454 5.451 ( 1.813 -0.266 -1.396) 2.303 5.491 ( 1.537 -1.312 4.335) 4.783 5.943 ( -3.941 2.488 7.103) 8.495 5.964 ( -0.382 2.492 7.358) 7.778 6.140 ( -16.974 10.928 24.059) 31.407 7.678 ( -3.355 0.294 -5.730) 6.647 7.913 ( -2.716 9.256 3.551) 10.279 7.952 ( -5.511 2.620 -5.700) 8.351 8.057 ( -8.693 -0.992 3.229) 9.326 8.116 ( -5.411 4.436 -0.247) 7.001 8.202 ( -3.513 1.248 0.770) 3.807 9.095 ( 1.831 1.157 -2.524) 3.326 9.181 ( 0.921 -3.747 -1.182) 4.036 9.352 ( 3.567 -0.590 -0.823) 3.708 9.521 ( 3.516 -1.456 -0.688) 3.867 9.576 ( 2.980 -2.981 -8.225) 9.242 9.777 ( 1.920 1.383 8.486) 8.810 9.950 ( 7.888 -3.352 1.684) 8.735 10.060 ( 8.833 -8.395 1.300) 12.255 10.230 ( 4.311 -5.188 0.006) 6.746 10.289 ( 4.141 -1.094 0.973) 4.392 12.290 ( 4.466 -0.008 -0.617) 4.509 12.364 ( 3.231 -0.872 1.148) 3.538 12.539 ( 8.248 -6.665 2.003) 10.792 13.019 ( 1.276 -2.733 -13.503) 13.836 13.044 ( -4.701 2.805 -0.716) 5.521 13.065 ( -4.019 2.851 0.204) 4.932 13.227 ( 0.860 0.268 -3.241) 3.364 13.417 ( -2.563 2.365 8.596) 9.277 13.485 ( -4.058 0.106 -8.607) 9.516 13.675 ( -3.866 2.973 3.172) 5.817 15.022 ( 0.775 1.755 10.746) 10.916 15.380 ( -0.780 -1.737 -1.130) 2.214 15.451 ( -2.170 1.227 -0.508) 2.544 15.502 ( -1.580 1.073 -1.260) 2.288 16.234 ( 0.979 -0.510 -0.281) 1.139 16.272 ( 1.754 -1.332 -0.538) 2.267 19.901 ( 1.463 1.532 -1.553) 2.627 20.102 ( 2.659 -2.541 -0.100) 3.680 20.141 ( -0.143 -1.037 0.107) 1.052 20.533 ( -0.382 -0.557 -9.799) 9.822 26.018 ( -0.058 0.057 -0.026) 0.085 26.021 ( 0.056 -0.106 0.013) 0.121 26.357 ( -4.390 2.722 0.056) 5.166 26.466 ( 1.533 2.931 -1.189) 3.515 26.542 ( 0.398 -0.297 1.284) 1.377 26.826 ( -0.885 -0.922 -10.259) 10.338 27.903 ( 3.391 2.786 -1.217) 4.554 27.960 ( 2.014 -2.549 0.120) 3.251 28.010 ( 5.721 -0.685 -0.262) 5.767 28.083 ( -1.137 -5.412 -0.872) 5.599 28.165 ( 4.792 -0.969 2.216) 5.368 28.765 ( 7.994 -8.152 -38.567) 40.221 30.306 ( 0.755 1.112 -2.026) 2.431 30.365 ( 3.107 -0.001 -0.297) 3.121 30.374 ( 2.647 -0.572 1.088) 2.919 30.441 ( 3.257 -6.207 1.668) 7.206 30.630 ( -21.153 11.971 63.059) 67.581 32.314 ( -20.227 11.453 -1.893) 23.322 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 14.476 -14.043 13.180) 24.093 1.472 ( 15.771 -13.888 4.578) 21.508 2.125 ( 5.441 -2.159 -3.719) 6.935 2.192 ( 0.853 0.399 -12.537) 12.572 2.311 ( 11.993 -7.324 13.177) 19.264 2.358 ( -12.534 10.548 -4.382) 16.958 2.495 ( -10.247 5.222 0.618) 11.518 2.582 ( -7.057 2.197 -2.879) 7.932 2.696 ( -1.252 2.929 2.627) 4.129 2.801 ( 1.016 0.829 -1.254) 1.814 2.854 ( -5.441 2.344 -2.256) 6.340 2.910 ( -1.637 -1.249 3.527) 4.084 2.954 ( 2.962 -2.411 5.405) 6.618 3.180 ( -1.060 5.220 -1.302) 5.483 3.358 ( -1.618 -2.329 -0.907) 2.977 3.413 ( 1.741 -1.071 0.452) 2.094 3.620 ( 1.551 -3.586 3.180) 5.038 3.899 ( 0.243 2.452 -6.465) 6.918 3.997 ( 0.985 -0.590 -2.573) 2.818 4.034 ( -1.115 0.133 2.390) 2.641 4.353 ( 1.813 -2.510 -3.529) 4.695 4.377 ( 0.929 3.914 2.515) 4.744 4.446 ( -0.133 -0.529 -4.539) 4.572 4.571 ( -0.321 1.049 -6.416) 6.509 4.654 ( 1.384 -0.294 0.186) 1.427 4.906 ( -3.375 1.531 0.727) 3.777 4.967 ( 3.439 -0.544 -5.686) 6.668 5.002 ( -0.311 0.168 -4.412) 4.426 5.197 ( -3.850 2.513 6.759) 8.174 5.236 ( -5.169 4.398 -3.324) 7.557 5.467 ( 1.562 -1.677 0.063) 2.293 5.484 ( 2.799 -3.482 -2.219) 4.988 5.575 ( 1.399 -2.692 5.926) 6.657 5.845 ( -5.189 1.003 0.478) 5.307 5.883 ( -7.349 5.685 4.553) 10.347 6.048 ( 4.579 3.361 7.042) 9.047 7.617 ( -1.672 1.857 -3.243) 4.095 7.724 ( -3.754 9.631 2.227) 10.574 7.832 ( -2.510 3.116 -5.329) 6.664 7.990 ( -3.860 4.133 0.524) 5.680 8.034 ( -9.371 -3.821 3.512) 10.712 8.143 ( -2.834 2.061 0.516) 3.543 9.082 ( 1.512 0.732 -4.421) 4.730 9.244 ( 1.808 -2.305 -0.035) 2.929 9.398 ( 1.745 -1.690 0.098) 2.431 9.569 ( 1.058 -1.979 -1.785) 2.867 9.627 ( 3.548 -2.373 -5.212) 6.737 9.796 ( 0.880 1.862 8.440) 8.687 10.091 ( 6.952 -3.770 1.054) 7.978 10.241 ( 2.108 -7.094 -3.767) 8.304 10.365 ( 5.227 -1.215 1.795) 5.659 10.395 ( 5.611 -6.544 2.292) 8.919 12.353 ( 5.890 -1.064 -0.303) 5.993 12.423 ( 4.457 -1.358 0.949) 4.755 12.710 ( 3.351 -4.639 2.092) 6.093 12.935 ( -3.649 4.683 -0.017) 5.937 12.963 ( -3.468 1.796 -2.314) 4.540 13.020 ( -4.616 -1.987 -3.643) 6.207 13.221 ( 1.488 0.633 -2.672) 3.123 13.358 ( -3.601 2.751 3.200) 5.548 13.435 ( -2.579 -0.240 -3.063) 4.012 13.592 ( -3.297 3.766 3.186) 5.933 15.038 ( 1.508 1.632 4.841) 5.326 15.376 ( -1.632 0.808 0.105) 1.824 15.431 ( -0.601 -0.605 -1.510) 1.734 15.471 ( -0.826 -0.117 -0.753) 1.124 16.262 ( 1.720 -1.191 -0.127) 2.096 16.314 ( 1.684 -1.662 -0.402) 2.400 19.887 ( 1.419 1.329 -0.952) 2.165 20.149 ( -0.447 -2.339 -3.145) 3.945 20.188 ( 2.398 -2.235 3.855) 5.061 20.479 ( -1.767 1.902 -5.167) 5.782 26.017 ( -0.063 -0.038 0.025) 0.077 26.023 ( 0.053 -0.032 -0.041) 0.074 26.275 ( -2.413 2.848 0.699) 3.798 26.428 ( 1.225 2.341 -1.059) 2.847 26.583 ( -0.616 -3.130 2.110) 3.824 26.763 ( -2.123 1.666 -8.050) 8.490 27.884 ( 3.095 2.658 -0.355) 4.096 28.019 ( 5.193 1.202 0.982) 5.420 28.081 ( 3.985 -3.441 -2.843) 5.983 28.189 ( -0.623 -7.183 -0.177) 7.212 28.232 ( 2.855 -1.416 3.786) 4.949 28.782 ( -1.333 -4.339 -20.280) 20.781 30.282 ( 0.309 0.803 -4.658) 4.737 30.389 ( 3.404 0.467 -1.873) 3.913 30.421 ( 4.086 0.040 2.717) 4.907 30.500 ( -10.014 8.661 36.121) 38.471 30.639 ( 4.957 -11.874 2.756) 13.160 31.854 ( -20.461 17.361 -4.132) 27.150 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 9.992 -16.204 11.355) 22.167 1.784 ( 6.368 -6.949 2.702) 9.805 2.034 ( -6.128 10.999 -2.744) 12.886 2.094 ( -3.470 2.650 -11.373) 12.182 2.203 ( 2.645 -2.167 -4.393) 5.567 2.364 ( -1.831 0.772 6.147) 6.460 2.406 ( -0.126 1.384 -1.022) 1.725 2.479 ( -5.352 1.339 -2.640) 6.116 2.681 ( 0.383 1.191 2.855) 3.117 2.755 ( -2.355 1.601 -3.636) 4.619 2.789 ( -1.756 -0.624 -1.224) 2.229 2.971 ( 0.223 -2.659 7.013) 7.504 3.045 ( -0.278 4.414 -1.895) 4.811 3.207 ( 8.040 -6.040 4.729) 11.113 3.362 ( -2.676 -1.109 -1.310) 3.179 3.443 ( 2.180 0.075 0.068) 2.182 3.686 ( 1.267 -0.938 2.670) 3.101 3.830 ( 0.054 5.006 -5.103) 7.149 3.991 ( 0.570 0.597 -3.309) 3.410 4.026 ( -0.813 1.044 2.953) 3.236 4.344 ( 0.853 0.545 0.225) 1.036 4.414 ( 2.082 -1.135 1.928) 3.056 4.452 ( 1.245 -2.907 -0.662) 3.231 4.525 ( 0.065 1.628 -4.470) 4.758 4.659 ( 0.245 0.019 -0.944) 0.975 4.856 ( -5.812 -1.032 -0.700) 5.944 4.972 ( 2.388 0.342 -6.213) 6.665 4.974 ( -0.758 1.229 -1.211) 1.885 5.043 ( -7.211 5.254 5.724) 10.601 5.182 ( -1.429 0.619 3.368) 3.711 5.512 ( 2.750 -0.999 -3.834) 4.823 5.575 ( 1.923 -3.401 0.741) 3.977 5.634 ( 0.357 -0.925 3.268) 3.415 5.777 ( -4.933 0.493 1.457) 5.167 5.830 ( -0.259 -1.210 -2.051) 2.395 6.030 ( 2.931 5.578 2.423) 6.751 7.568 ( 1.997 3.959 -2.464) 5.073 7.591 ( -0.859 1.925 2.137) 3.002 7.776 ( -1.712 -0.420 -2.231) 2.843 7.908 ( -1.762 2.293 0.381) 2.917 8.032 ( -8.307 -4.714 2.251) 9.813 8.095 ( -1.885 0.798 0.344) 2.076 9.067 ( 0.802 0.361 -3.992) 4.088 9.291 ( 2.269 -0.628 1.225) 2.654 9.437 ( 1.382 -1.126 -0.207) 1.794 9.595 ( -0.413 -1.585 -1.025) 1.932 9.676 ( 3.581 -1.556 -4.361) 5.853 9.800 ( 0.347 2.519 9.571) 9.903 10.195 ( 4.164 -1.336 -0.079) 4.374 10.318 ( -0.545 -3.137 -4.822) 5.778 10.413 ( 2.498 1.039 1.902) 3.307 10.516 ( 1.352 -2.466 0.180) 2.819 12.412 ( 5.705 1.398 0.485) 5.894 12.489 ( 5.234 0.330 -0.044) 5.244 12.761 ( -0.279 -0.884 0.077) 0.930 12.838 ( -2.479 2.913 0.396) 3.845 12.932 ( -3.966 -2.361 -0.697) 4.668 12.997 ( -5.187 -2.553 -0.618) 5.814 13.210 ( 0.888 0.927 -1.891) 2.285 13.307 ( -1.813 1.168 1.766) 2.787 13.424 ( -0.303 -1.968 -3.119) 3.701 13.525 ( -2.315 2.515 4.349) 5.531 15.027 ( -0.002 1.830 0.527) 1.904 15.354 ( -0.474 0.291 -0.094) 0.565 15.418 ( -0.268 0.299 -0.755) 0.855 15.491 ( 0.111 -1.544 0.467) 1.616 16.293 ( 1.223 -0.423 -0.107) 1.299 16.348 ( 1.065 -0.691 -0.024) 1.270 19.877 ( 1.132 1.023 -0.084) 1.528 20.160 ( -1.563 -1.604 -3.842) 4.447 20.265 ( 2.257 -1.603 5.055) 5.763 20.415 ( -0.828 1.568 -2.910) 3.408 26.018 ( -0.036 -0.147 0.091) 0.177 26.023 ( 0.031 0.083 -0.107) 0.139 26.234 ( 0.459 1.162 1.251) 1.768 26.404 ( 0.162 1.168 -0.266) 1.209 26.629 ( -3.616 -2.755 -1.158) 4.691 26.698 ( 0.191 0.499 -2.150) 2.215 27.877 ( 3.886 2.081 0.241) 4.415 28.029 ( 5.936 3.804 -0.418) 7.063 28.152 ( 0.804 -2.632 -3.276) 4.279 28.231 ( -1.667 0.331 3.160) 3.588 28.331 ( 1.627 -4.397 0.747) 4.747 28.766 ( -4.064 -4.827 -7.177) 9.556 30.249 ( 0.137 0.484 -8.165) 8.180 30.394 ( 1.335 2.038 2.246) 3.313 30.425 ( -3.511 4.519 15.781) 16.787 30.463 ( 4.695 1.719 3.496) 6.101 30.950 ( 5.831 -16.920 2.794) 18.113 31.361 ( -16.326 16.196 -5.347) 23.610 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -6.417 15.202 -4.095) 17.001 1.826 ( -2.431 13.787 1.449) 14.074 2.048 ( 4.357 -9.928 2.797) 11.197 2.144 ( 5.098 -10.280 4.594) 12.360 2.202 ( -0.847 2.517 0.098) 2.657 2.349 ( -0.212 -0.748 -2.939) 3.040 2.455 ( 2.163 -4.756 3.226) 6.140 2.501 ( 2.025 -7.793 -4.366) 9.159 2.666 ( -0.277 0.458 0.685) 0.870 2.753 ( 1.311 -1.680 0.488) 2.186 2.794 ( -1.772 -2.765 -1.607) 3.656 2.931 ( -0.714 2.830 -5.372) 6.114 3.103 ( 3.098 -3.263 9.121) 10.170 3.165 ( -3.657 15.603 -0.450) 16.032 3.345 ( -2.419 -0.748 -2.567) 3.606 3.448 ( 0.853 -0.020 -0.484) 0.981 3.673 ( 1.018 3.720 -3.343) 5.104 3.770 ( -0.411 -3.112 -0.337) 3.157 3.976 ( -0.817 0.795 -1.422) 1.823 4.010 ( -0.505 0.787 0.890) 1.291 4.338 ( -0.001 0.875 -2.959) 3.086 4.428 ( -1.115 3.526 2.803) 4.640 4.453 ( 0.886 -0.993 -0.623) 1.470 4.564 ( 0.896 -2.255 4.246) 4.890 4.676 ( -0.164 0.265 2.007) 2.031 4.891 ( -1.549 -8.398 2.082) 8.790 4.954 ( 1.134 0.639 -1.279) 1.825 4.976 ( 1.796 -1.868 -5.429) 6.015 4.993 ( -3.403 -3.709 4.721) 6.901 5.203 ( 1.591 -1.932 1.567) 2.953 5.502 ( -1.008 1.711 -4.013) 4.477 5.590 ( 1.058 3.051 -2.418) 4.034 5.619 ( 0.304 3.203 -2.500) 4.075 5.777 ( -3.832 -3.149 6.111) 7.870 5.860 ( 0.774 -1.813 0.871) 2.155 5.955 ( 1.193 4.572 -3.139) 5.673 7.568 ( 3.465 -2.475 0.807) 4.334 7.627 ( 5.393 -1.925 -0.954) 5.805 7.782 ( -1.500 -2.115 0.355) 2.617 7.890 ( -0.281 -1.384 0.220) 1.429 8.048 ( -7.850 -5.606 0.748) 9.675 8.089 ( 0.136 -1.072 0.148) 1.090 9.057 ( 0.151 -0.100 -2.227) 2.235 9.317 ( 2.026 0.706 2.012) 2.942 9.455 ( 1.767 0.563 -1.507) 2.389 9.608 ( -1.250 -0.765 1.675) 2.225 9.708 ( 4.544 0.710 -4.468) 6.412 9.790 ( -0.992 3.061 9.514) 10.044 10.203 ( 1.273 3.435 -0.748) 3.739 10.285 ( -2.135 2.857 -4.766) 5.953 10.405 ( -1.093 1.437 2.039) 2.723 10.497 ( -2.120 3.656 -2.165) 4.748 12.409 ( 3.567 4.508 0.789) 5.802 12.478 ( 2.078 4.698 -0.734) 5.189 12.766 ( -1.188 0.656 -0.008) 1.357 12.836 ( 2.192 -3.698 -1.110) 4.440 12.927 ( -3.399 -2.177 -0.626) 4.085 13.015 ( -4.466 -4.727 1.866) 6.766 13.207 ( 0.224 -0.534 1.103) 1.246 13.292 ( -0.010 -0.289 -2.211) 2.230 13.471 ( 2.121 -3.418 -2.875) 4.945 13.504 ( -1.447 -0.258 5.239) 5.441 14.984 ( -1.380 1.994 -1.923) 3.095 15.358 ( 0.243 -0.864 0.141) 0.909 15.424 ( 0.487 -1.103 -0.333) 1.251 15.508 ( 0.127 0.127 1.086) 1.101 16.292 ( 0.162 1.273 -0.173) 1.294 16.353 ( 0.252 0.990 0.281) 1.059 19.878 ( 1.284 0.350 0.901) 1.607 20.137 ( -2.536 0.101 -4.210) 4.916 20.283 ( 0.325 2.942 3.128) 4.306 20.433 ( 1.688 -3.899 0.723) 4.310 26.020 ( 0.027 0.098 -0.023) 0.104 26.022 ( -0.023 -0.121 0.015) 0.124 26.256 ( 3.054 -0.946 1.506) 3.534 26.389 ( -0.858 0.217 0.373) 0.960 26.581 ( -3.885 0.734 -3.773) 5.465 26.751 ( 0.471 -4.143 2.799) 5.022 27.890 ( 4.897 1.733 0.287) 5.203 28.011 ( 4.979 4.319 -0.553) 6.615 28.139 ( -4.543 1.060 0.315) 4.675 28.191 ( -2.133 2.794 -1.463) 3.807 28.369 ( 0.239 0.627 -0.451) 0.808 28.848 ( -1.483 -8.656 4.092) 9.688 30.206 ( 0.153 0.108 -12.403) 12.404 30.366 ( -1.641 3.078 8.932) 9.589 30.396 ( 0.820 1.769 -0.257) 1.967 30.477 ( 4.667 3.582 2.898) 6.558 30.901 ( -11.526 13.321 -4.991) 18.309 31.411 ( 6.516 -22.917 2.104) 23.918 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -1.962 20.953 -3.774) 21.381 1.480 ( -3.522 23.580 0.793) 23.854 2.094 ( -2.195 9.508 -3.171) 10.261 2.160 ( 1.675 9.235 -0.813) 9.421 2.227 ( -4.020 5.689 2.972) 7.574 2.409 ( -0.002 -10.117 0.533) 10.131 2.623 ( 3.472 -8.595 3.162) 9.794 2.660 ( 5.333 -8.591 -4.373) 11.017 2.703 ( 1.259 -4.299 1.583) 4.751 2.785 ( -0.326 -1.139 3.893) 4.069 2.838 ( -0.662 -5.381 -2.788) 6.097 2.874 ( -1.844 -2.320 -1.083) 3.155 2.946 ( 1.504 1.776 -1.516) 2.778 3.220 ( 3.309 -2.624 5.611) 7.023 3.319 ( -2.829 -0.651 -3.148) 4.282 3.462 ( 1.208 0.090 0.863) 1.488 3.600 ( -0.645 3.606 -3.938) 5.379 3.864 ( 1.094 -6.662 2.171) 7.092 3.947 ( -1.346 0.313 -0.275) 1.409 3.994 ( -1.548 -0.145 -0.453) 1.619 4.297 ( -1.694 0.661 -2.759) 3.304 4.403 ( 2.359 1.283 3.508) 4.418 4.471 ( -2.458 -0.597 0.311) 2.549 4.614 ( 0.060 -2.130 1.935) 2.878 4.647 ( -1.384 1.598 1.446) 2.561 4.945 ( -1.039 -0.428 3.716) 3.882 4.954 ( 1.399 0.212 -1.395) 1.987 5.011 ( 0.606 -2.510 -1.041) 2.785 5.219 ( 2.054 -15.127 3.693) 15.706 5.284 ( 4.485 -1.947 2.465) 5.476 5.412 ( -4.391 1.651 -5.798) 7.458 5.505 ( 0.099 5.241 -1.931) 5.586 5.552 ( -0.186 3.567 -1.892) 4.042 5.806 ( -2.712 -1.165 2.112) 3.630 5.877 ( 0.940 0.743 -1.922) 2.265 5.926 ( 0.894 -1.721 -1.616) 2.525 7.708 ( 3.667 -4.776 2.284) 6.440 7.726 ( 6.893 -6.314 -2.761) 9.747 7.817 ( -0.990 -3.428 2.070) 4.125 7.954 ( 0.628 -5.923 0.070) 5.956 8.071 ( -6.076 -5.559 -1.002) 8.296 8.133 ( 0.840 -3.278 0.176) 3.389 9.055 ( -0.248 -0.314 -0.590) 0.713 9.325 ( 1.500 1.251 2.556) 3.217 9.432 ( 1.389 3.080 -2.957) 4.489 9.600 ( -1.217 3.159 4.986) 6.027 9.689 ( 2.670 4.098 -2.219) 5.371 9.753 ( -1.581 1.971 2.190) 3.344 10.086 ( -0.487 10.202 0.043) 10.214 10.203 ( -2.641 1.687 -2.282) 3.877 10.341 ( -3.090 8.346 0.245) 8.903 10.366 ( -0.815 4.564 -1.754) 4.957 12.348 ( 1.151 5.399 0.471) 5.541 12.401 ( 0.032 4.738 -0.444) 4.759 12.694 ( -2.390 6.052 -0.734) 6.548 12.941 ( 2.757 -5.650 -1.109) 6.384 12.968 ( 0.217 -4.568 -0.018) 4.574 13.070 ( -2.793 -4.576 2.411) 5.878 13.242 ( 0.707 -1.550 4.811) 5.103 13.296 ( 0.046 -1.970 -5.576) 5.914 13.525 ( 0.037 -2.813 3.165) 4.235 13.563 ( 1.703 -4.088 -1.293) 4.614 14.929 ( -1.338 1.706 -2.394) 3.230 15.388 ( 0.551 -2.275 0.154) 2.346 15.458 ( 0.745 -2.197 -0.166) 2.326 15.494 ( -0.265 1.876 0.942) 2.116 16.261 ( -0.219 1.866 -0.051) 1.879 16.325 ( -0.222 2.305 0.234) 2.327 19.897 ( 1.602 -0.197 1.585) 2.262 20.082 ( -2.651 1.361 -3.320) 4.461 20.235 ( -0.028 3.407 1.133) 3.591 20.537 ( 1.541 -5.175 2.308) 5.873 26.018 ( 0.001 0.066 -0.032) 0.073 26.024 ( -0.004 -0.019 0.031) 0.037 26.325 ( 3.720 -2.201 1.000) 4.436 26.384 ( -1.404 -0.774 0.667) 1.737 26.524 ( -2.604 0.908 -2.065) 3.445 26.845 ( 0.298 -5.255 2.345) 5.762 27.907 ( 4.219 2.021 0.076) 4.678 27.979 ( 3.803 4.268 -0.609) 5.749 28.050 ( -5.724 4.052 3.331) 7.764 28.106 ( -3.482 1.499 -3.993) 5.506 28.327 ( 0.424 4.681 0.294) 4.709 29.021 ( 0.264 -8.642 10.284) 13.436 30.151 ( 0.148 0.113 -15.819) 15.820 30.337 ( -0.643 2.010 3.544) 4.125 30.372 ( 0.244 1.374 -0.577) 1.510 30.457 ( 3.738 4.833 2.134) 6.472 30.602 ( -6.837 9.464 -3.506) 12.191 31.891 ( 5.047 -25.826 1.052) 26.335 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 24.041 0.000) 24.041 1.019 ( 0.000 28.783 0.000) 28.783 1.519 ( 0.000 42.513 0.000) 42.513 2.037 ( 0.000 4.515 0.000) 4.515 2.167 ( 0.000 4.108 0.000) 4.108 2.652 ( -0.000 -13.310 -0.000) 13.310 2.741 ( -0.000 -5.115 -0.000) 5.115 2.811 ( -0.000 -6.510 -0.000) 6.510 2.814 ( -0.000 -8.348 -0.000) 8.348 2.881 ( -0.000 -2.966 -0.000) 2.966 2.934 ( -0.000 -7.057 -0.000) 7.057 2.935 ( -0.000 -5.424 -0.000) 5.424 3.000 ( -0.000 -6.680 -0.000) 6.680 3.279 ( 0.000 0.466 0.000) 0.466 3.293 ( -0.000 -0.054 -0.000) 0.054 3.455 ( 0.000 2.402 0.000) 2.402 3.514 ( 0.000 5.102 0.000) 5.102 3.951 ( -0.000 -2.120 -0.000) 2.120 3.995 ( -0.000 -1.483 -0.000) 1.483 4.032 ( -0.000 -11.062 -0.000) 11.062 4.283 ( -0.000 -0.641 -0.000) 0.641 4.414 ( 0.000 2.517 0.000) 2.517 4.439 ( 0.000 0.225 0.000) 0.225 4.627 ( 0.000 0.566 0.000) 0.566 4.647 ( -0.000 -1.098 -0.000) 1.098 4.954 ( -0.000 -0.469 -0.000) 0.469 4.965 ( -0.000 -0.982 -0.000) 0.982 5.051 ( -0.000 -2.063 -0.000) 2.063 5.223 ( 0.000 7.494 0.000) 7.494 5.400 ( 0.000 2.720 0.000) 2.720 5.468 ( -0.000 -2.374 -0.000) 2.374 5.494 ( -0.000 -12.852 -0.000) 12.852 5.494 ( 0.000 0.463 0.000) 0.463 5.792 ( 0.000 0.759 0.000) 0.759 5.877 ( -0.000 -0.950 -0.000) 0.950 5.978 ( -0.000 -4.515 -0.000) 4.515 7.754 ( -0.000 -1.013 -0.000) 1.013 7.867 ( -0.000 -2.867 -0.000) 2.867 7.963 ( -0.000 -13.238 -0.000) 13.238 8.082 ( -0.000 -8.048 -0.000) 8.048 8.118 ( -0.000 -4.377 -0.000) 4.377 8.201 ( -0.000 -3.869 -0.000) 3.869 9.059 ( -0.000 -0.518 -0.000) 0.518 9.323 ( 0.000 0.979 0.000) 0.979 9.367 ( 0.000 4.382 0.000) 4.382 9.458 ( 0.000 12.140 0.000) 12.140 9.667 ( 0.000 0.079 0.000) 0.079 9.712 ( 0.000 2.692 0.000) 2.692 9.910 ( 0.000 9.111 0.000) 9.111 10.092 ( 0.000 12.468 0.000) 12.468 10.190 ( 0.000 3.243 0.000) 3.243 10.297 ( 0.000 3.561 0.000) 3.561 12.271 ( 0.000 4.168 0.000) 4.168 12.332 ( 0.000 3.311 0.000) 3.311 12.536 ( 0.000 10.167 0.000) 10.167 13.052 ( -0.000 -5.759 -0.000) 5.759 13.055 ( -0.000 -5.028 -0.000) 5.028 13.119 ( -0.000 -2.053 -0.000) 2.053 13.290 ( -0.000 -1.272 -0.000) 1.272 13.321 ( -0.000 -3.032 -0.000) 3.032 13.600 ( -0.000 -4.629 -0.000) 4.629 13.628 ( -0.000 -3.054 -0.000) 3.054 14.892 ( 0.000 1.062 0.000) 1.062 15.439 ( -0.000 -3.130 -0.000) 3.130 15.451 ( 0.000 3.000 0.000) 3.000 15.503 ( -0.000 -2.428 -0.000) 2.428 16.236 ( 0.000 0.947 0.000) 0.947 16.283 ( 0.000 2.414 0.000) 2.414 19.916 ( -0.000 -0.190 -0.000) 0.190 20.032 ( 0.000 1.590 0.000) 1.590 20.186 ( 0.000 2.575 0.000) 2.575 20.635 ( -0.000 -4.598 -0.000) 4.598 26.018 ( -0.000 -0.050 -0.000) 0.050 26.023 ( 0.000 0.127 0.000) 0.127 26.369 ( -0.000 -0.744 -0.000) 0.744 26.414 ( -0.000 -2.854 -0.000) 2.854 26.491 ( 0.000 0.732 0.000) 0.732 26.941 ( -0.000 -5.067 -0.000) 5.067 27.891 ( 0.000 2.088 0.000) 2.088 27.931 ( 0.000 4.325 0.000) 4.325 27.960 ( 0.000 2.268 0.000) 2.268 28.066 ( 0.000 0.731 0.000) 0.731 28.227 ( 0.000 7.246 0.000) 7.246 29.191 ( -0.000 -7.171 -0.000) 7.171 30.095 ( 0.000 1.134 0.000) 1.134 30.315 ( 0.000 1.032 0.000) 1.032 30.354 ( 0.000 0.827 0.000) 0.827 30.405 ( 0.000 4.459 0.000) 4.459 30.433 ( 0.000 5.695 0.000) 5.695 32.331 ( -0.000 -22.491 -0.000) 22.491 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 24.950 0.000 3.511) 25.195 1.132 ( 21.222 0.000 12.754) 24.759 2.003 ( 29.532 0.000 30.672) 42.578 2.122 ( 5.223 0.000 -7.159) 8.862 2.153 ( 8.021 0.000 -6.260) 10.175 2.518 ( -19.456 -0.000 -4.976) 20.083 2.636 ( -9.238 -0.000 -0.180) 9.240 2.671 ( -8.669 -0.000 -3.288) 9.272 2.789 ( -6.128 -0.000 -0.226) 6.132 2.851 ( -3.677 -0.000 1.859) 4.120 2.877 ( -6.477 -0.000 0.537) 6.499 2.928 ( -2.707 -0.000 -0.011) 2.707 2.973 ( -7.120 -0.000 -2.632) 7.591 3.240 ( -3.132 -0.000 -2.596) 4.068 3.340 ( 2.465 0.000 -3.230) 4.063 3.377 ( 1.925 0.000 3.852) 4.306 3.546 ( 3.675 0.000 2.108) 4.237 3.900 ( -4.124 -0.000 -7.284) 8.370 4.016 ( -1.402 -0.000 -2.570) 2.928 4.020 ( -1.562 -0.000 1.089) 1.904 4.208 ( -0.022 -0.000 -3.654) 3.654 4.456 ( 1.029 0.000 -7.106) 7.180 4.484 ( 4.573 0.000 1.612) 4.849 4.591 ( -1.073 -0.000 -3.927) 4.071 4.652 ( 3.977 0.000 -1.649) 4.305 4.926 ( 1.478 0.000 -7.138) 7.289 4.979 ( -4.308 -0.000 -0.420) 4.328 4.991 ( 3.125 0.000 -4.785) 5.715 5.174 ( 0.298 0.000 6.063) 6.070 5.269 ( -1.083 -0.000 -10.144) 10.202 5.438 ( 1.423 0.000 2.920) 3.248 5.472 ( 6.630 0.000 -7.265) 9.836 5.528 ( 2.502 0.000 8.625) 8.981 5.888 ( -12.389 -0.000 3.961) 13.007 6.026 ( -5.364 -0.000 9.035) 10.507 6.145 ( -10.818 -0.000 16.080) 19.380 7.633 ( -2.301 -0.000 -4.132) 4.729 7.805 ( -12.947 -0.000 -3.233) 13.344 7.992 ( -5.031 -0.000 2.007) 5.417 8.027 ( -3.245 -0.000 -3.453) 4.739 8.108 ( -4.804 -0.000 1.015) 4.910 8.172 ( -4.184 -0.000 1.071) 4.319 9.125 ( 0.522 0.000 -2.297) 2.356 9.147 ( 2.796 0.000 0.839) 2.919 9.388 ( 3.631 0.000 -0.566) 3.674 9.492 ( 2.034 0.000 -9.759) 9.969 9.585 ( 4.944 0.000 -0.568) 4.976 9.858 ( 2.767 0.000 7.354) 7.858 10.007 ( 7.923 0.000 2.918) 8.443 10.082 ( 8.215 0.000 -1.517) 8.354 10.240 ( 8.643 0.000 2.373) 8.963 10.331 ( 4.693 0.000 2.337) 5.243 12.334 ( 3.223 0.000 0.528) 3.266 12.376 ( 3.593 0.000 -0.635) 3.649 12.588 ( 9.538 0.000 3.304) 10.094 12.955 ( -0.595 -0.000 -8.759) 8.779 13.015 ( -5.404 -0.000 -0.353) 5.416 13.065 ( -1.948 -0.000 -2.734) 3.357 13.230 ( 1.739 0.000 -2.538) 3.076 13.398 ( -5.058 -0.000 -9.606) 10.856 13.452 ( -3.409 -0.000 10.151) 10.708 13.670 ( -4.248 -0.000 1.786) 4.608 15.086 ( 0.865 0.000 9.613) 9.652 15.352 ( -0.665 -0.000 -0.900) 1.119 15.433 ( -2.698 -0.000 -1.398) 3.038 15.488 ( -1.983 -0.000 -1.337) 2.391 16.241 ( 1.611 0.000 -0.284) 1.635 16.278 ( 2.105 0.000 -0.584) 2.184 19.923 ( 1.068 0.000 -1.692) 2.001 20.090 ( 1.499 0.000 -3.660) 3.955 20.149 ( 2.238 0.000 2.589) 3.422 20.494 ( -0.178 -0.000 -6.973) 6.975 26.018 ( -0.022 -0.000 -0.040) 0.045 26.021 ( 0.057 0.000 0.028) 0.064 26.335 ( -4.658 -0.000 0.131) 4.660 26.490 ( 0.293 0.000 2.091) 2.112 26.543 ( -1.065 -0.000 -3.258) 3.427 26.792 ( 1.814 0.000 -9.478) 9.650 27.947 ( 0.971 0.000 -0.815) 1.268 27.973 ( 1.884 0.000 -0.434) 1.933 28.014 ( 6.074 0.000 -1.310) 6.214 28.038 ( 0.252 0.000 0.241) 0.349 28.229 ( 5.845 0.000 2.452) 6.339 28.659 ( 8.981 0.000 -28.587) 29.965 30.333 ( 1.190 0.000 -1.040) 1.581 30.387 ( 2.119 0.000 0.151) 2.124 30.397 ( 4.952 0.000 -3.659) 6.157 30.438 ( 5.828 0.000 4.591) 7.419 30.727 ( -24.118 -0.000 52.824) 58.069 32.176 ( -25.438 -0.000 -3.072) 25.623 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 19.918 -0.485 9.320) 21.995 1.476 ( 18.289 -8.371 6.427) 21.115 2.134 ( 0.736 -0.154 -9.860) 9.889 2.150 ( 1.891 0.636 -13.116) 13.267 2.305 ( -15.372 2.616 -3.111) 15.900 2.398 ( 13.275 -4.212 14.817) 20.335 2.508 ( -8.825 5.815 1.464) 10.669 2.539 ( -6.896 1.580 -0.796) 7.119 2.727 ( -2.877 2.199 2.045) 4.159 2.789 ( -5.499 0.666 -0.602) 5.572 2.841 ( -1.517 0.624 0.747) 1.802 2.881 ( -3.588 0.483 -1.101) 3.785 2.970 ( 5.565 -3.001 6.766) 9.261 3.206 ( -4.241 -0.709 -1.900) 4.701 3.326 ( 1.162 1.784 -2.791) 3.510 3.422 ( 2.341 -0.692 3.341) 4.137 3.607 ( 3.425 -2.162 3.730) 5.507 3.875 ( -0.362 -1.882 -5.848) 6.153 3.985 ( -0.728 0.349 -1.373) 1.593 4.019 ( -1.825 -0.879 1.458) 2.495 4.244 ( -0.935 -5.640 -3.715) 6.818 4.425 ( 0.267 1.142 -4.584) 4.731 4.508 ( 3.731 3.199 2.105) 5.347 4.556 ( -0.858 0.685 -5.635) 5.741 4.680 ( 3.442 0.530 -0.763) 3.565 4.905 ( -4.124 2.129 -3.458) 5.787 4.936 ( 0.138 -1.913 -3.438) 3.937 4.995 ( 1.463 0.394 -4.988) 5.213 5.208 ( -1.621 -0.716 5.835) 6.098 5.219 ( -4.966 1.348 -1.544) 5.372 5.465 ( 2.744 -0.779 -0.257) 2.864 5.486 ( 3.449 1.017 -2.128) 4.178 5.598 ( 2.920 -0.396 7.669) 8.216 5.791 ( -7.041 -0.290 0.124) 7.048 5.883 ( -14.287 3.838 4.750) 15.538 6.167 ( 4.504 1.957 7.275) 8.777 7.604 ( -1.239 -0.125 -1.879) 2.255 7.716 ( -10.569 -4.007 -3.210) 11.750 7.859 ( -4.976 7.476 -1.512) 9.108 7.976 ( -3.273 1.999 0.090) 3.836 8.015 ( -4.074 4.720 0.732) 6.278 8.141 ( -3.240 0.544 1.037) 3.445 9.094 ( 0.797 1.703 -3.206) 3.717 9.224 ( 2.807 -3.406 1.726) 4.739 9.409 ( 2.931 0.305 -0.952) 3.097 9.512 ( 0.719 -3.251 -6.573) 7.368 9.628 ( 3.532 -0.480 -1.262) 3.782 9.887 ( 2.663 2.095 7.664) 8.379 10.115 ( 7.106 -2.487 0.065) 7.529 10.157 ( 2.963 -3.356 -2.607) 5.180 10.381 ( 8.632 -3.245 3.256) 9.780 10.406 ( 5.484 -1.746 2.550) 6.295 12.384 ( 5.088 -1.931 0.057) 5.443 12.437 ( 3.844 -2.592 0.213) 4.641 12.698 ( 4.731 -2.199 3.180) 6.109 12.916 ( -4.621 -0.791 -3.810) 6.041 12.945 ( -4.523 1.855 -1.098) 5.010 12.999 ( -1.918 4.218 -1.972) 5.036 13.240 ( 2.569 0.439 -2.116) 3.356 13.321 ( -4.395 -0.465 -6.716) 8.039 13.435 ( -3.887 1.696 7.595) 8.699 13.618 ( -3.522 2.112 1.537) 4.385 15.106 ( 1.263 2.437 5.238) 5.914 15.362 ( -0.972 -1.301 1.114) 1.969 15.402 ( -1.077 -0.499 -2.763) 3.007 15.460 ( -1.775 0.471 -0.953) 2.069 16.264 ( 2.155 -0.719 -0.170) 2.278 16.306 ( 1.991 -1.178 -0.449) 2.356 19.918 ( 1.249 0.988 -1.342) 2.083 20.098 ( -0.457 -1.625 -2.789) 3.261 20.197 ( 3.344 -1.228 2.368) 4.278 20.463 ( -1.404 0.444 -4.069) 4.327 26.017 ( -0.032 0.085 -0.017) 0.093 26.023 ( 0.070 -0.101 0.009) 0.124 26.288 ( -2.942 1.039 1.035) 3.287 26.479 ( 0.506 2.768 -1.740) 3.309 26.531 ( -1.286 -1.732 0.926) 2.347 26.753 ( 0.166 1.669 -7.784) 7.963 27.965 ( 2.700 0.896 -0.870) 2.975 28.007 ( 3.772 -1.994 0.359) 4.282 28.050 ( -1.264 -4.600 -0.555) 4.802 28.121 ( 4.865 -3.369 0.187) 5.920 28.276 ( 4.591 1.276 1.952) 5.150 28.646 ( 1.592 -1.879 -18.174) 18.340 30.301 ( 0.445 2.573 -2.078) 3.337 30.428 ( 5.903 0.512 -5.512) 8.092 30.477 ( 4.592 -4.426 1.653) 6.588 30.542 ( 6.919 -3.169 4.843) 9.021 30.644 ( -16.301 5.755 36.999) 40.838 31.830 ( -25.833 8.715 -5.164) 27.749 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 13.721 -8.185 9.597) 18.638 1.758 ( 8.189 -5.384 3.138) 10.291 2.010 ( -5.648 -0.159 -12.922) 14.104 2.093 ( -8.940 3.823 -5.373) 11.109 2.191 ( 4.589 -1.863 -5.523) 7.419 2.361 ( -7.003 3.804 3.732) 8.800 2.446 ( -3.949 2.712 4.857) 6.822 2.484 ( 2.896 2.821 -3.762) 5.523 2.683 ( -3.833 1.892 0.921) 4.372 2.725 ( -4.766 -0.137 -0.827) 4.839 2.805 ( 2.155 1.246 -0.018) 2.489 2.936 ( 0.413 -4.345 5.380) 6.927 3.109 ( -1.484 3.304 -0.231) 3.630 3.209 ( 7.214 -5.668 5.184) 10.537 3.306 ( -1.200 -0.810 -3.041) 3.368 3.461 ( 1.933 -0.128 1.192) 2.275 3.704 ( 4.629 -1.452 5.421) 7.275 3.886 ( 3.568 0.880 -3.863) 5.331 3.980 ( -0.623 -0.745 -1.692) 1.951 4.031 ( -1.140 -1.103 2.541) 2.996 4.341 ( 0.206 -8.470 -2.142) 8.739 4.398 ( 0.452 1.228 -1.390) 1.910 4.460 ( 1.254 5.196 1.191) 5.476 4.522 ( -0.225 0.465 -4.292) 4.323 4.680 ( 1.778 2.395 -2.717) 4.035 4.801 ( -6.945 2.126 -1.511) 7.418 4.955 ( -0.629 -1.579 -2.844) 3.313 4.974 ( 0.058 0.612 -3.794) 3.843 5.084 ( -7.066 5.631 3.880) 9.833 5.205 ( -1.699 1.652 5.602) 6.082 5.501 ( 2.476 -1.124 -3.835) 4.702 5.547 ( 3.587 -3.551 1.212) 5.191 5.632 ( -0.768 -0.327 3.262) 3.367 5.749 ( -4.353 0.539 0.222) 4.392 5.784 ( -1.731 -1.630 -1.057) 2.602 6.170 ( 3.076 5.282 3.608) 7.098 7.604 ( 0.957 -0.604 -0.039) 1.132 7.662 ( -2.608 4.813 -0.637) 5.511 7.724 ( -4.105 -1.695 -4.244) 6.143 7.902 ( -6.336 1.533 3.926) 7.610 7.923 ( -2.798 2.084 -0.863) 3.594 8.104 ( -1.603 1.196 0.726) 2.127 9.066 ( 0.475 0.798 -3.649) 3.765 9.306 ( 3.067 -1.761 1.994) 4.060 9.435 ( 1.931 -0.843 0.011) 2.107 9.541 ( -0.596 -2.754 -4.682) 5.465 9.664 ( 1.656 -1.491 -0.854) 2.386 9.910 ( 3.346 2.888 9.756) 10.710 10.168 ( -0.100 -2.633 -8.559) 8.955 10.269 ( 5.219 -3.784 3.390) 7.283 10.478 ( 3.655 0.492 2.050) 4.219 10.488 ( 2.730 -1.654 -0.298) 3.206 12.486 ( 7.298 -2.059 0.476) 7.598 12.535 ( 6.473 -2.901 0.111) 7.094 12.748 ( -1.322 -0.301 1.715) 2.187 12.856 ( -5.249 0.665 -2.185) 5.725 12.866 ( -4.146 2.774 -0.924) 5.074 12.907 ( -4.051 0.788 0.223) 4.133 13.236 ( 1.613 1.651 -2.009) 3.060 13.283 ( -2.766 -1.153 -2.831) 4.123 13.406 ( -1.258 0.433 3.426) 3.676 13.555 ( -2.755 2.478 2.272) 4.347 15.074 ( 0.146 3.372 1.052) 3.535 15.354 ( -0.655 0.482 0.072) 0.816 15.416 ( 0.116 -0.193 -1.220) 1.240 15.455 ( -0.593 -2.524 0.515) 2.643 16.297 ( 1.681 -0.733 -0.126) 1.838 16.344 ( 1.414 -1.243 -0.102) 1.886 19.906 ( 1.031 1.140 -0.520) 1.623 20.108 ( -1.100 -1.528 -2.297) 2.970 20.268 ( 2.808 -2.411 2.741) 4.606 20.420 ( -1.369 1.485 -2.448) 3.174 26.016 ( -0.051 -0.061 0.012) 0.081 26.024 ( 0.066 0.022 -0.024) 0.074 26.263 ( -0.066 0.683 2.010) 2.123 26.426 ( -0.708 2.176 -2.138) 3.132 26.554 ( -1.850 -1.774 0.434) 2.600 26.701 ( 0.008 1.126 -3.861) 4.022 27.966 ( 4.840 2.417 0.031) 5.411 28.098 ( 1.641 -3.436 1.332) 4.034 28.104 ( 1.189 -1.930 -3.731) 4.365 28.218 ( 0.993 -2.970 4.024) 5.099 28.310 ( 4.897 -0.350 -0.324) 4.920 28.606 ( -5.151 -2.953 -9.517) 11.217 30.252 ( -0.011 2.304 -3.322) 4.043 30.444 ( 5.732 1.594 -6.872) 9.090 30.536 ( -9.555 5.751 23.442) 25.960 30.585 ( 9.272 1.530 4.945) 10.619 30.744 ( 4.125 -12.827 2.672) 13.737 31.394 ( -21.637 12.030 -6.699) 25.647 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.670 7.279 -0.961) 8.208 1.854 ( -0.111 -4.711 2.914) 5.540 2.006 ( 4.106 -10.584 -3.282) 11.817 2.083 ( 4.062 -0.851 3.481) 5.417 2.227 ( 2.623 0.286 -2.847) 3.882 2.289 ( -5.909 -1.455 0.026) 6.085 2.418 ( -1.078 -1.882 1.595) 2.693 2.439 ( 1.963 2.422 -1.655) 3.529 2.632 ( -1.675 -0.917 -1.155) 2.232 2.705 ( -3.038 -2.394 -1.072) 4.013 2.828 ( 4.621 1.811 3.228) 5.920 2.946 ( -2.897 4.096 -3.892) 6.350 3.089 ( 1.217 -4.026 5.195) 6.684 3.292 ( -2.014 -0.500 -2.201) 3.025 3.347 ( 3.996 -0.217 2.644) 4.796 3.442 ( -2.351 2.964 -1.897) 4.232 3.745 ( -0.058 1.166 -0.875) 1.459 3.826 ( 5.644 10.303 0.881) 11.780 3.977 ( -0.071 0.126 -1.197) 1.205 4.020 ( -1.975 1.011 0.479) 2.270 4.371 ( 0.911 2.643 0.329) 2.815 4.427 ( 0.010 -0.511 -0.591) 0.782 4.477 ( -0.869 0.621 -1.764) 2.062 4.548 ( 3.003 -6.222 4.262) 8.117 4.635 ( -1.323 -5.229 -4.754) 7.190 4.727 ( -4.300 -0.383 1.037) 4.439 4.950 ( -2.028 0.237 3.787) 4.303 4.958 ( 1.043 -0.233 -5.102) 5.212 4.995 ( -1.485 1.917 2.048) 3.174 5.194 ( -0.033 -0.265 1.943) 1.961 5.503 ( -0.091 0.722 -3.532) 3.606 5.615 ( 0.674 0.114 -0.162) 0.702 5.661 ( 3.385 -0.828 -1.921) 3.979 5.717 ( -4.141 -1.439 4.284) 6.129 5.818 ( 0.151 -3.068 -0.521) 3.116 6.079 ( 1.048 8.331 0.308) 8.403 7.583 ( 0.760 1.825 0.262) 1.995 7.645 ( 3.279 -1.762 -0.394) 3.743 7.745 ( 2.067 -1.924 -2.317) 3.652 7.859 ( -9.998 -4.768 2.595) 11.377 7.879 ( -1.108 0.597 0.016) 1.259 8.084 ( -0.193 0.223 0.361) 0.466 9.050 ( 0.222 0.114 -1.997) 2.012 9.349 ( 1.780 0.111 1.117) 2.105 9.468 ( 1.384 -0.581 0.323) 1.536 9.563 ( -0.848 -2.690 -2.189) 3.571 9.705 ( 0.792 -2.277 -0.452) 2.452 9.917 ( 3.201 5.192 8.637) 10.573 10.162 ( -2.906 -2.923 -7.847) 8.863 10.358 ( 5.333 2.356 2.380) 6.297 10.462 ( -1.789 2.750 4.053) 5.215 10.492 ( -0.377 0.900 -4.794) 4.893 12.548 ( 6.756 4.919 1.206) 8.443 12.599 ( 5.277 5.136 -0.747) 7.402 12.738 ( -3.964 -1.535 -0.736) 4.314 12.785 ( -0.917 -3.989 -0.256) 4.101 12.846 ( -3.155 -2.794 -0.064) 4.215 12.887 ( -5.073 -2.978 0.614) 5.914 13.214 ( 0.413 1.020 -0.232) 1.125 13.274 ( -1.258 -0.800 -1.190) 1.908 13.435 ( 2.024 -2.428 -0.398) 3.186 13.507 ( -2.353 1.255 2.650) 3.759 15.015 ( -0.520 3.352 -0.588) 3.443 15.349 ( -0.047 -0.247 0.002) 0.251 15.412 ( 0.040 -0.286 -0.427) 0.516 15.500 ( 0.147 -1.865 0.658) 1.983 16.311 ( 0.574 0.496 -0.121) 0.768 16.366 ( 0.570 -0.099 0.116) 0.590 19.900 ( 0.848 0.568 0.263) 1.054 20.104 ( -1.223 -0.276 -1.917) 2.290 20.337 ( 1.161 0.407 3.876) 4.067 20.385 ( -0.160 -1.684 -2.712) 3.196 26.018 ( -0.027 -0.214 0.027) 0.218 26.023 ( 0.029 0.151 -0.036) 0.158 26.283 ( 2.599 -0.544 2.304) 3.515 26.380 ( -2.159 0.797 -1.732) 2.880 26.545 ( -1.821 0.173 -1.277) 2.231 26.704 ( 0.111 -2.155 0.092) 2.160 27.984 ( 6.139 2.063 0.763) 6.521 28.100 ( -3.285 0.445 -2.761) 4.314 28.117 ( 1.480 2.038 0.167) 2.524 28.256 ( 1.966 4.276 4.523) 6.528 28.342 ( -0.009 -1.851 -3.894) 4.312 28.654 ( -3.375 -11.257 -0.727) 11.775 30.199 ( -0.117 2.280 -3.557) 4.227 30.429 ( 3.041 2.787 -4.314) 5.969 30.455 ( -3.964 4.008 10.721) 12.113 30.640 ( 9.635 5.381 4.918) 12.082 30.945 ( -10.670 5.866 -3.960) 12.804 31.110 ( -1.376 -14.602 -0.831) 14.690 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 14.597 0.000) 14.597 1.787 ( 0.000 12.548 0.000) 12.548 2.125 ( -0.000 -4.014 -0.000) 4.014 2.188 ( 0.000 4.595 0.000) 4.595 2.274 ( -0.000 -9.900 -0.000) 9.900 2.285 ( -0.000 -3.499 -0.000) 3.499 2.503 ( -0.000 -8.397 -0.000) 8.397 2.508 ( -0.000 -8.264 -0.000) 8.264 2.664 ( -0.000 -2.958 -0.000) 2.958 2.740 ( -0.000 -3.691 -0.000) 3.691 2.810 ( 0.000 3.078 0.000) 3.078 2.879 ( 0.000 0.949 0.000) 0.949 3.116 ( 0.000 15.749 0.000) 15.749 3.214 ( 0.000 0.365 0.000) 0.365 3.280 ( -0.000 -0.049 -0.000) 0.049 3.443 ( -0.000 -2.651 -0.000) 2.651 3.655 ( 0.000 4.790 0.000) 4.790 3.805 ( -0.000 -1.752 -0.000) 1.752 3.959 ( 0.000 1.450 0.000) 1.450 3.993 ( 0.000 0.912 0.000) 0.912 4.316 ( 0.000 3.304 0.000) 3.304 4.439 ( -0.000 -0.740 -0.000) 0.740 4.451 ( 0.000 1.138 0.000) 1.138 4.584 ( -0.000 -1.517 -0.000) 1.517 4.669 ( 0.000 1.658 0.000) 1.658 4.917 ( -0.000 -13.130 -0.000) 13.130 4.957 ( -0.000 -0.504 -0.000) 0.504 4.964 ( -0.000 -5.824 -0.000) 5.824 4.980 ( -0.000 -0.537 -0.000) 0.537 5.238 ( -0.000 -4.381 -0.000) 4.381 5.450 ( 0.000 4.381 0.000) 4.381 5.584 ( 0.000 3.322 0.000) 3.322 5.625 ( 0.000 4.903 0.000) 4.903 5.765 ( -0.000 -3.165 -0.000) 3.165 5.871 ( -0.000 -2.743 -0.000) 2.743 5.953 ( 0.000 5.956 0.000) 5.956 7.621 ( -0.000 -5.262 -0.000) 5.262 7.700 ( -0.000 -2.196 -0.000) 2.196 7.781 ( -0.000 -1.542 -0.000) 1.542 7.887 ( -0.000 -2.309 -0.000) 2.309 7.917 ( -0.000 -7.560 -0.000) 7.560 8.096 ( -0.000 -1.592 -0.000) 1.592 9.049 ( -0.000 -0.160 -0.000) 0.160 9.352 ( 0.000 0.674 0.000) 0.674 9.470 ( 0.000 1.216 0.000) 1.216 9.596 ( -0.000 -1.936 -0.000) 1.936 9.743 ( -0.000 -1.403 -0.000) 1.403 9.838 ( 0.000 7.974 0.000) 7.974 10.174 ( -0.000 -1.934 -0.000) 1.934 10.267 ( 0.000 10.022 0.000) 10.022 10.421 ( 0.000 3.855 0.000) 3.855 10.439 ( 0.000 3.356 0.000) 3.356 12.466 ( 0.000 7.243 0.000) 7.243 12.501 ( 0.000 7.010 0.000) 7.010 12.737 ( 0.000 0.434 0.000) 0.434 12.870 ( -0.000 -4.009 -0.000) 4.009 12.902 ( -0.000 -3.338 -0.000) 3.338 12.943 ( -0.000 -8.348 -0.000) 8.348 13.221 ( -0.000 -1.662 -0.000) 1.662 13.272 ( -0.000 -0.114 -0.000) 0.114 13.495 ( -0.000 -0.961 -0.000) 0.961 13.503 ( -0.000 -3.847 -0.000) 3.847 14.958 ( 0.000 2.841 0.000) 2.841 15.361 ( -0.000 -1.215 -0.000) 1.215 15.427 ( -0.000 -1.537 -0.000) 1.537 15.515 ( 0.000 0.250 0.000) 0.250 16.293 ( 0.000 1.755 0.000) 1.755 16.357 ( 0.000 1.433 0.000) 1.433 19.904 ( -0.000 -0.223 -0.000) 0.223 20.084 ( 0.000 1.112 0.000) 1.112 20.297 ( 0.000 3.592 0.000) 3.592 20.459 ( -0.000 -5.328 -0.000) 5.328 26.020 ( 0.000 0.152 0.000) 0.152 26.022 ( -0.000 -0.178 -0.000) 0.178 26.332 ( -0.000 -1.402 -0.000) 1.402 26.351 ( -0.000 -0.444 -0.000) 0.444 26.521 ( 0.000 0.914 0.000) 0.914 26.763 ( -0.000 -4.570 -0.000) 4.570 27.991 ( 0.000 3.717 0.000) 3.717 28.040 ( 0.000 0.774 0.000) 0.774 28.093 ( 0.000 1.960 0.000) 1.960 28.143 ( 0.000 8.092 0.000) 8.092 28.366 ( -0.000 -0.274 -0.000) 0.274 28.851 ( -0.000 -12.606 -0.000) 12.606 30.152 ( 0.000 2.222 0.000) 2.222 30.383 ( 0.000 2.958 0.000) 2.958 30.405 ( 0.000 2.469 0.000) 2.469 30.609 ( 0.000 7.284 0.000) 7.284 30.691 ( 0.000 9.298 0.000) 9.298 31.485 ( -0.000 -25.002 -0.000) 25.002 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 18.913 0.000 3.713) 19.274 1.585 ( 16.778 0.000 8.933) 19.008 2.010 ( -11.705 -0.000 -17.732) 21.247 2.124 ( 0.325 0.000 -6.647) 6.655 2.211 ( -9.529 -0.000 -6.074) 11.301 2.471 ( -0.787 -0.000 0.017) 0.787 2.507 ( -1.515 -0.000 8.372) 8.508 2.508 ( -3.627 -0.000 3.535) 5.065 2.730 ( -7.285 -0.000 0.178) 7.287 2.736 ( -3.304 -0.000 6.725) 7.493 2.845 ( -1.908 -0.000 -3.569) 4.047 2.846 ( 0.554 0.000 1.898) 1.978 3.045 ( 10.552 0.000 6.221) 12.249 3.121 ( -5.385 -0.000 -5.798) 7.913 3.358 ( 1.212 0.000 -1.553) 1.970 3.467 ( 3.632 0.000 4.526) 5.803 3.651 ( 6.637 0.000 6.831) 9.524 3.832 ( 0.447 0.000 -3.281) 3.311 3.971 ( -1.827 -0.000 -1.551) 2.396 3.995 ( -2.193 -0.000 1.308) 2.553 4.180 ( -0.282 -0.000 -1.123) 1.158 4.412 ( -0.679 -0.000 -4.262) 4.316 4.527 ( -1.665 -0.000 -7.372) 7.558 4.581 ( 3.911 0.000 2.339) 4.557 4.718 ( 4.058 0.000 -0.864) 4.149 4.860 ( -4.023 -0.000 -5.740) 7.009 4.909 ( -2.243 -0.000 0.685) 2.345 4.985 ( -0.907 -0.000 -4.197) 4.294 5.194 ( -1.670 -0.000 -1.194) 2.052 5.212 ( -0.970 -0.000 5.773) 5.854 5.479 ( 2.786 0.000 -0.913) 2.932 5.529 ( 1.740 0.000 -2.663) 3.181 5.641 ( -2.610 -0.000 8.194) 8.600 5.732 ( -1.393 -0.000 0.579) 1.508 5.789 ( -11.502 -0.000 1.047) 11.550 6.248 ( 3.604 0.000 5.315) 6.422 7.566 ( -8.699 -0.000 -1.990) 8.924 7.586 ( -0.633 -0.000 -1.023) 1.203 7.870 ( -6.100 -0.000 -0.579) 6.128 7.941 ( -2.282 -0.000 -3.618) 4.278 8.062 ( -1.687 -0.000 0.971) 1.946 8.108 ( -2.939 -0.000 0.794) 3.044 9.123 ( 0.535 0.000 -1.111) 1.233 9.212 ( 2.577 0.000 1.809) 3.149 9.441 ( 2.173 0.000 -0.422) 2.213 9.457 ( 0.796 0.000 -6.422) 6.471 9.655 ( 2.705 0.000 -0.740) 2.804 9.941 ( 1.340 0.000 3.373) 3.629 10.156 ( 3.274 0.000 -2.586) 4.172 10.158 ( 5.135 0.000 1.979) 5.503 10.442 ( 4.204 0.000 2.034) 4.671 10.465 ( 8.591 0.000 4.064) 9.504 12.397 ( 2.616 0.000 0.334) 2.637 12.443 ( 3.451 0.000 -0.379) 3.471 12.732 ( 1.915 0.000 2.811) 3.401 12.852 ( -4.507 -0.000 -2.392) 5.102 12.934 ( -1.728 -0.000 -0.150) 1.735 13.017 ( -1.066 -0.000 -2.290) 2.526 13.249 ( -3.634 -0.000 -5.659) 6.725 13.268 ( 3.729 0.000 -1.754) 4.120 13.437 ( -4.848 -0.000 7.042) 8.549 13.608 ( -2.596 -0.000 0.422) 2.631 15.167 ( 1.545 0.000 4.356) 4.622 15.336 ( -0.889 -0.000 0.705) 1.135 15.378 ( -0.977 -0.000 -2.688) 2.860 15.444 ( -1.580 -0.000 -0.808) 1.775 16.279 ( 2.049 0.000 -0.067) 2.050 16.312 ( 1.652 0.000 -0.408) 1.702 19.930 ( 0.856 0.000 -1.197) 1.471 20.071 ( -0.379 -0.000 -1.971) 2.007 20.226 ( 2.961 0.000 1.508) 3.323 20.441 ( -1.219 -0.000 -2.415) 2.705 26.018 ( 0.017 0.000 -0.017) 0.024 26.022 ( 0.040 0.000 0.018) 0.044 26.270 ( -2.363 -0.000 0.861) 2.515 26.492 ( -1.193 -0.000 -3.334) 3.541 26.523 ( 0.850 0.000 2.920) 3.042 26.743 ( -0.045 -0.000 -6.811) 6.811 27.953 ( 0.238 0.000 -0.184) 0.301 27.987 ( -0.021 -0.000 0.168) 0.169 28.076 ( 2.584 0.000 0.705) 2.679 28.118 ( 4.976 0.000 -1.318) 5.148 28.337 ( 3.183 0.000 1.913) 3.713 28.599 ( 1.694 0.000 -12.251) 12.367 30.342 ( 0.535 0.000 -0.873) 1.024 30.424 ( 1.430 0.000 0.126) 1.435 30.474 ( 7.598 0.000 -8.352) 11.291 30.663 ( -15.606 -0.000 29.740) 33.586 30.666 ( 13.309 0.000 7.427) 15.241 31.619 ( -26.994 -0.000 -6.663) 27.805 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 13.848 1.189 6.283) 15.253 1.794 ( 8.723 -1.878 4.271) 9.892 1.875 ( -5.534 -2.847 -9.711) 11.534 2.016 ( -10.949 3.462 -7.146) 13.525 2.148 ( -1.241 -3.595 -4.190) 5.658 2.416 ( -0.900 5.197 0.345) 5.286 2.454 ( -3.549 2.032 1.914) 4.516 2.534 ( 1.136 0.251 -0.191) 1.179 2.669 ( -4.805 -0.303 0.169) 4.818 2.705 ( -2.882 3.020 3.691) 5.572 2.835 ( 1.828 0.102 0.083) 1.833 2.896 ( 2.050 -3.897 3.878) 5.867 3.072 ( -5.005 -2.044 -5.007) 7.369 3.186 ( 4.680 -4.308 2.847) 6.969 3.332 ( 0.740 3.034 -0.955) 3.266 3.496 ( 1.773 1.014 1.558) 2.569 3.778 ( 7.437 0.248 6.714) 10.023 3.873 ( 3.636 -5.043 0.206) 6.221 3.954 ( -1.043 -0.588 -0.860) 1.474 3.989 ( -2.613 -1.928 0.629) 3.308 4.223 ( 0.586 -4.933 -0.086) 4.969 4.393 ( -0.342 -0.162 -2.249) 2.281 4.471 ( -3.255 0.355 -6.346) 7.141 4.591 ( 2.713 4.183 1.762) 5.288 4.738 ( 2.316 2.474 -2.203) 4.041 4.773 ( -4.937 2.000 -1.077) 5.434 4.909 ( -0.840 -1.694 -0.572) 1.975 4.957 ( -1.712 -0.256 -2.223) 2.818 5.134 ( -2.471 4.908 0.850) 5.560 5.229 ( -0.482 -0.051 3.377) 3.411 5.501 ( -0.169 0.496 -0.823) 0.976 5.529 ( 2.845 -2.467 -0.730) 3.836 5.620 ( -4.362 0.081 1.763) 4.706 5.715 ( -1.855 -0.153 -0.942) 2.086 5.761 ( 0.901 -0.583 1.663) 1.979 6.272 ( 1.938 2.449 2.469) 3.981 7.544 ( -4.443 -5.485 -1.246) 7.168 7.590 ( -0.032 -1.115 0.016) 1.116 7.766 ( -2.711 5.663 -0.859) 6.337 7.911 ( -1.731 0.517 -1.296) 2.223 7.978 ( -1.103 6.637 0.733) 6.768 8.102 ( -1.274 -0.164 0.425) 1.353 9.086 ( 0.268 2.610 -1.219) 2.893 9.291 ( 1.918 -4.053 1.882) 4.863 9.443 ( 1.075 -0.222 -1.034) 1.508 9.473 ( -0.231 -1.959 -2.941) 3.542 9.666 ( 1.115 0.375 -0.491) 1.275 9.977 ( 1.261 -1.659 4.108) 4.606 10.142 ( 1.022 2.870 -3.818) 4.885 10.244 ( 2.816 -4.592 1.452) 5.579 10.502 ( 2.410 -1.730 1.080) 3.157 10.530 ( 3.706 1.436 1.580) 4.277 12.465 ( 2.483 -5.087 0.251) 5.667 12.508 ( 2.859 -4.360 -0.130) 5.215 12.742 ( -0.994 0.300 1.268) 1.639 12.807 ( -3.670 0.159 -1.113) 3.838 12.893 ( -0.386 3.740 -0.043) 3.760 12.959 ( -0.942 4.667 -0.781) 4.824 13.218 ( -1.877 -1.483 -2.628) 3.554 13.283 ( 2.539 1.730 -1.568) 3.450 13.411 ( -2.828 0.377 3.980) 4.898 13.575 ( -1.472 1.765 0.412) 2.335 15.147 ( 0.420 4.169 1.191) 4.356 15.357 ( -0.625 0.143 1.109) 1.281 15.381 ( 0.564 -3.831 -1.660) 4.213 15.426 ( -1.076 0.258 -0.209) 1.126 16.300 ( 1.179 -0.554 -0.043) 1.304 16.334 ( 0.916 -1.143 -0.148) 1.473 19.927 ( 0.493 0.703 -0.560) 1.025 20.072 ( -0.439 -1.107 -1.014) 1.564 20.266 ( 1.781 -1.421 0.952) 2.469 20.419 ( -0.856 0.661 -1.119) 1.557 26.016 ( -0.010 0.129 -0.005) 0.130 26.024 ( 0.036 -0.113 0.004) 0.118 26.262 ( -0.774 -0.625 0.983) 1.399 26.449 ( -0.792 2.452 -2.111) 3.331 26.542 ( 0.382 -0.116 1.860) 1.903 26.706 ( -0.251 1.241 -3.618) 3.833 27.987 ( 0.446 -2.840 -0.250) 2.885 28.031 ( -0.330 -4.431 -0.227) 4.449 28.104 ( 4.707 -0.473 0.779) 4.794 28.167 ( -0.665 -2.378 0.087) 2.470 28.366 ( 3.152 -0.128 0.832) 3.263 28.546 ( -1.511 2.807 -6.121) 6.901 30.294 ( 0.117 3.541 -0.879) 3.651 30.501 ( 6.988 1.066 -8.906) 11.370 30.533 ( 1.104 -8.805 0.149) 8.875 30.600 ( -10.156 3.073 18.927) 21.698 30.823 ( 16.049 2.308 7.814) 17.998 31.293 ( -23.206 5.531 -7.676) 25.060 ======================= Grid point 30 (20/93) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 1.286 0.000) 1.286 1.846 ( 0.000 1.605 0.000) 1.605 1.864 ( -0.000 -4.794 -0.000) 4.794 1.987 ( -0.000 -8.824 -0.000) 8.824 2.206 ( -0.000 -3.962 -0.000) 3.962 2.305 ( 0.000 5.905 0.000) 5.905 2.418 ( 0.000 1.338 0.000) 1.338 2.518 ( 0.000 3.301 0.000) 3.301 2.633 ( 0.000 2.947 0.000) 2.947 2.654 ( -0.000 -1.026 -0.000) 1.026 2.856 ( -0.000 -1.050 -0.000) 1.050 3.016 ( 0.000 -3.248 0.000) 3.248 3.016 ( 0.000 1.680 0.000) 1.680 3.268 ( -0.000 -1.113 -0.000) 1.113 3.313 ( -0.000 -2.792 -0.000) 2.792 3.483 ( 0.000 1.935 0.000) 1.935 3.782 ( 0.000 2.567 0.000) 2.567 3.964 ( -0.000 -1.157 -0.000) 1.157 3.995 ( -0.000 -1.424 -0.000) 1.424 4.010 ( 0.000 0.872 0.000) 0.872 4.342 ( -0.000 -10.029 -0.000) 10.029 4.393 ( -0.000 -0.245 -0.000) 0.245 4.426 ( 0.000 0.467 0.000) 0.467 4.523 ( 0.000 3.850 0.000) 3.850 4.649 ( 0.000 5.195 0.000) 5.195 4.738 ( 0.000 1.721 0.000) 1.721 4.935 ( -0.000 -1.666 -0.000) 1.666 4.951 ( -0.000 -0.214 -0.000) 0.214 5.038 ( 0.000 4.207 0.000) 4.207 5.215 ( 0.000 1.873 0.000) 1.873 5.499 ( -0.000 -0.238 -0.000) 0.238 5.609 ( -0.000 -1.126 -0.000) 1.126 5.612 ( -0.000 -4.799 -0.000) 4.799 5.707 ( 0.000 0.408 0.000) 0.408 5.780 ( -0.000 -1.270 -0.000) 1.270 6.214 ( 0.000 6.279 0.000) 6.279 7.620 ( -0.000 -2.228 -0.000) 2.228 7.640 ( -0.000 -8.270 -0.000) 8.270 7.651 ( 0.000 5.718 0.000) 5.718 7.856 ( 0.000 6.038 0.000) 6.038 7.888 ( 0.000 1.329 0.000) 1.329 8.091 ( 0.000 0.597 0.000) 0.597 9.055 ( 0.000 0.964 0.000) 0.964 9.354 ( -0.000 -1.328 -0.000) 1.328 9.463 ( -0.000 -1.087 -0.000) 1.087 9.500 ( -0.000 -2.994 -0.000) 2.994 9.675 ( -0.000 -1.229 -0.000) 1.229 10.054 ( -0.000 -4.244 -0.000) 4.244 10.055 ( 0.000 5.497 0.000) 5.497 10.358 ( -0.000 -6.101 -0.000) 6.101 10.493 ( 0.000 4.079 0.000) 4.079 10.529 ( 0.000 1.102 0.000) 1.102 12.594 ( -0.000 -7.385 -0.000) 7.385 12.636 ( -0.000 -8.423 -0.000) 8.423 12.702 ( 0.000 4.524 0.000) 4.524 12.749 ( 0.000 4.832 0.000) 4.832 12.825 ( 0.000 2.530 0.000) 2.530 12.873 ( 0.000 3.113 0.000) 3.113 13.237 ( -0.000 -2.086 -0.000) 2.086 13.248 ( 0.000 2.680 0.000) 2.680 13.415 ( -0.000 -1.142 -0.000) 1.142 13.531 ( 0.000 2.376 0.000) 2.376 15.076 ( 0.000 4.252 0.000) 4.252 15.349 ( 0.000 0.284 0.000) 0.284 15.413 ( 0.000 0.352 0.000) 0.352 15.453 ( -0.000 -3.811 -0.000) 3.811 16.314 ( -0.000 -0.392 -0.000) 0.392 16.359 ( -0.000 -1.111 -0.000) 1.111 19.915 ( 0.000 0.809 0.000) 0.809 20.086 ( -0.000 -0.965 -0.000) 0.965 20.314 ( -0.000 -3.039 -0.000) 3.039 20.392 ( 0.000 1.811 0.000) 1.811 26.016 ( -0.000 -0.059 -0.000) 0.059 26.025 ( 0.000 0.037 0.000) 0.037 26.281 ( -0.000 -1.478 -0.000) 1.478 26.393 ( 0.000 2.754 0.000) 2.754 26.543 ( 0.000 0.386 0.000) 0.386 26.686 ( -0.000 -0.034 -0.000) 0.034 28.025 ( -0.000 -1.273 -0.000) 1.273 28.103 ( -0.000 -3.590 -0.000) 3.590 28.111 ( 0.000 2.983 0.000) 2.983 28.238 ( -0.000 -5.919 -0.000) 5.919 28.423 ( 0.000 7.527 0.000) 7.527 28.455 ( -0.000 -7.873 -0.000) 7.873 30.238 ( 0.000 2.991 0.000) 2.991 30.486 ( 0.000 2.695 0.000) 2.695 30.521 ( 0.000 4.025 0.000) 4.025 30.722 ( -0.000 -9.943 -0.000) 9.943 30.928 ( 0.000 1.017 0.000) 1.017 30.993 ( 0.000 7.661 0.000) 7.661 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.907 ( -0.000 -0.000 -0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.441 ( -0.000 -0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 -0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 -0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 -0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 -0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 -0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.580 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 -0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 -0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 -0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 15.201 ( 0.000 0.000 0.000) 0.000 15.329 ( 0.000 0.000 -0.000) 0.000 15.359 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 16.301 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.058 ( 0.000 0.000 0.000) 0.000 20.264 ( 0.000 0.000 0.000) 0.000 20.419 ( 0.000 0.000 0.000) 0.000 26.018 ( 0.000 0.000 0.000) 0.000 26.022 ( 0.000 0.000 0.000) 0.000 26.252 ( 0.000 0.000 0.000) 0.000 26.464 ( 0.000 0.000 0.000) 0.000 26.549 ( 0.000 0.000 0.000) 0.000 26.708 ( 0.000 0.000 0.000) 0.000 27.954 ( 0.000 0.000 0.000) 0.000 27.987 ( 0.000 0.000 -0.000) 0.000 28.111 ( 0.000 0.000 0.000) 0.000 28.164 ( 0.000 0.000 0.000) 0.000 28.375 ( 0.000 0.000 0.000) 0.000 28.561 ( 0.000 0.000 -0.000) 0.000 30.343 ( 0.000 0.000 0.000) 0.000 30.439 ( 0.000 0.000 0.000) 0.000 30.535 ( -0.000 -0.000 0.000) 0.000 30.609 ( 0.000 0.000 -0.000) 0.000 31.018 ( 0.000 0.000 0.000) 0.000 31.131 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.531 0.000 31.063) 31.166 0.636 ( 1.089 0.000 32.276) 32.294 1.131 ( 5.792 0.000 58.438) 58.724 1.889 ( 1.469 0.000 -7.900) 8.035 1.943 ( 1.670 0.000 -11.767) 11.885 2.793 ( -1.207 -0.000 -0.480) 1.299 2.823 ( -1.008 -0.000 -1.800) 2.063 2.904 ( 0.895 0.000 0.457) 1.005 2.913 ( -0.814 -0.000 -0.798) 1.140 3.123 ( 3.124 0.000 -0.416) 3.152 3.126 ( -0.286 -0.000 -0.330) 0.437 3.154 ( 0.720 0.000 -0.146) 0.735 3.170 ( -4.139 -0.000 0.657) 4.191 3.230 ( 4.364 0.000 0.234) 4.370 3.234 ( -3.748 -0.000 -1.927) 4.215 3.280 ( 4.873 0.000 -1.277) 5.037 3.293 ( -3.119 -0.000 -1.207) 3.345 4.041 ( -4.031 -0.000 -30.385) 30.651 4.060 ( 0.711 0.000 1.771) 1.908 4.066 ( -1.247 -0.000 1.265) 1.776 4.196 ( -3.443 -0.000 -2.855) 4.472 4.295 ( 1.800 0.000 -1.375) 2.265 4.322 ( 4.452 0.000 0.790) 4.522 4.356 ( 0.116 0.000 0.460) 0.474 4.531 ( 1.589 0.000 -2.083) 2.620 4.733 ( -3.969 -0.000 -1.343) 4.190 4.853 ( 2.221 0.000 -5.916) 6.320 4.915 ( -0.520 -0.000 -3.615) 3.652 5.183 ( -0.744 -0.000 2.540) 2.646 5.354 ( -3.905 -0.000 8.588) 9.434 5.354 ( 1.508 0.000 10.405) 10.514 5.368 ( -2.323 -0.000 -11.296) 11.532 5.560 ( -0.270 -0.000 3.639) 3.649 5.829 ( 4.955 0.000 6.514) 8.184 6.348 ( -0.729 -0.000 20.055) 20.068 7.511 ( -0.127 -0.000 -10.867) 10.868 7.640 ( 6.062 0.000 -7.062) 9.307 7.992 ( 0.871 0.000 -10.383) 10.420 8.063 ( 0.341 0.000 8.519) 8.525 8.248 ( -2.094 -0.000 2.175) 3.019 8.264 ( 1.034 0.000 0.219) 1.057 8.276 ( -0.620 -0.000 0.027) 0.621 9.089 ( -0.482 -0.000 0.722) 0.868 9.136 ( 0.634 0.000 -0.327) 0.714 9.170 ( -1.480 -0.000 -4.032) 4.295 9.389 ( -0.092 -0.000 -10.995) 10.995 9.473 ( 0.237 0.000 10.382) 10.385 9.743 ( 2.312 0.000 1.441) 2.724 9.792 ( 1.174 0.000 2.965) 3.189 9.824 ( -0.886 -0.000 7.319) 7.372 10.119 ( -1.207 -0.000 -2.503) 2.779 10.191 ( -1.286 -0.000 -3.201) 3.450 12.197 ( -3.402 -0.000 -0.238) 3.410 12.228 ( 1.561 0.000 -1.509) 2.171 12.306 ( -0.154 -0.000 1.764) 1.770 12.312 ( -0.517 -0.000 0.824) 0.973 13.149 ( 0.114 0.000 -2.572) 2.574 13.161 ( 0.220 0.000 0.074) 0.232 13.170 ( 1.614 0.000 -1.710) 2.351 13.494 ( -1.912 -0.000 -11.273) 11.434 13.540 ( 1.263 0.000 10.858) 10.931 13.815 ( -1.051 -0.000 3.705) 3.851 15.370 ( -1.268 -0.000 -1.062) 1.654 15.380 ( -0.207 -0.000 -1.070) 1.090 15.524 ( -0.087 -0.000 1.635) 1.637 15.557 ( 0.575 0.000 0.641) 0.861 16.232 ( -0.297 -0.000 0.140) 0.328 16.237 ( 0.264 0.000 0.024) 0.265 19.889 ( -2.317 -0.000 -1.474) 2.746 19.980 ( 1.372 0.000 -3.219) 3.499 20.051 ( 2.005 0.000 3.726) 4.231 20.156 ( -1.576 -0.000 0.783) 1.760 26.019 ( 0.020 0.000 0.018) 0.027 26.020 ( -0.036 -0.000 -0.005) 0.036 26.381 ( 1.851 0.000 0.051) 1.852 26.461 ( -0.048 -0.000 -1.714) 1.714 26.500 ( 2.156 0.000 1.965) 2.917 26.585 ( -1.132 -0.000 -0.266) 1.163 27.847 ( 2.449 0.000 -0.373) 2.477 27.858 ( -1.803 -0.000 -0.562) 1.888 27.930 ( -0.924 -0.000 0.500) 1.051 27.940 ( 0.615 0.000 0.095) 0.622 28.055 ( 1.002 0.000 0.785) 1.273 28.068 ( -1.256 -0.000 0.382) 1.312 30.308 ( -0.293 -0.000 -0.024) 0.294 30.321 ( 0.396 0.000 -0.396) 0.560 30.328 ( 1.249 0.000 0.028) 1.249 30.338 ( -1.422 -0.000 -0.154) 1.431 32.720 ( -1.272 -0.000 0.263) 1.299 32.745 ( 0.206 0.000 -0.334) 0.393 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 9.914 -11.184 23.374) 27.744 0.880 ( 2.752 -11.464 26.554) 29.054 1.667 ( 15.866 -18.441 42.557) 49.020 1.899 ( 3.809 -2.018 -9.228) 10.185 1.957 ( 3.729 -4.301 -12.231) 13.491 2.747 ( -2.867 3.690 -1.163) 4.816 2.783 ( -2.356 2.152 -1.438) 3.500 2.860 ( -3.575 2.145 -0.109) 4.171 2.890 ( -5.031 3.741 0.299) 6.276 2.980 ( -4.642 8.317 -0.280) 9.529 2.991 ( -4.183 8.484 -1.934) 9.654 3.047 ( -2.859 5.917 -0.073) 6.572 3.090 ( -2.699 7.103 -0.560) 7.619 3.214 ( 0.558 -0.467 -1.464) 1.635 3.313 ( 3.209 -2.287 -0.295) 3.951 3.340 ( 0.156 -4.509 -1.497) 4.753 3.448 ( 4.708 -7.894 -1.277) 9.279 3.858 ( -3.090 0.996 -28.350) 28.535 4.005 ( -2.279 4.048 0.795) 4.714 4.064 ( 0.769 1.360 1.799) 2.383 4.270 ( -3.697 -5.574 -3.129) 7.385 4.329 ( 3.933 -0.692 -3.909) 5.588 4.380 ( 1.782 -1.422 1.010) 2.494 4.487 ( 5.541 -3.605 -7.980) 10.363 4.579 ( 3.598 -3.874 -2.813) 5.989 4.760 ( 5.502 -6.195 -8.340) 11.756 4.854 ( 1.806 -0.392 -4.059) 4.459 4.919 ( 0.359 -1.724 -4.141) 4.500 5.189 ( -0.107 -0.121 0.182) 0.244 5.310 ( -2.840 -0.232 9.101) 9.537 5.338 ( -0.192 -1.846 -7.188) 7.424 5.494 ( 0.163 -6.076 9.174) 11.005 5.550 ( -0.357 1.506 2.796) 3.195 5.922 ( 5.727 -1.528 4.959) 7.728 6.265 ( -7.976 12.193 16.920) 22.329 6.828 ( -18.367 37.296 12.938) 43.540 7.645 ( 0.200 -1.012 -5.276) 5.375 7.918 ( -3.535 3.850 -10.224) 11.483 8.042 ( -2.237 6.338 7.249) 9.886 8.201 ( -2.665 5.543 0.531) 6.173 8.240 ( -3.957 0.992 0.438) 4.103 8.254 ( -1.231 2.239 0.132) 2.559 9.054 ( -0.062 2.483 -0.666) 2.572 9.159 ( -0.167 -4.507 -1.700) 4.820 9.203 ( 4.110 -3.703 -4.318) 7.018 9.404 ( 2.173 -3.755 -10.830) 11.667 9.550 ( 2.999 -1.325 9.832) 10.365 9.815 ( 2.982 -3.748 1.002) 4.893 9.882 ( 1.259 -3.435 7.005) 7.903 9.949 ( 3.672 -8.929 2.943) 10.093 10.157 ( 2.636 -4.434 -2.039) 5.547 10.206 ( 0.763 -3.309 -3.291) 4.729 12.216 ( 1.305 -1.546 -0.422) 2.067 12.313 ( 4.450 -0.508 0.290) 4.488 12.419 ( 4.635 -9.431 1.341) 10.594 12.639 ( 9.121 -22.106 -16.841) 29.249 13.113 ( -2.184 3.066 -0.333) 3.779 13.122 ( -1.220 3.430 -0.284) 3.651 13.174 ( 1.405 -0.005 -1.435) 2.009 13.419 ( -2.389 0.863 -10.597) 10.898 13.570 ( -0.114 2.357 10.039) 10.312 13.774 ( -2.881 3.526 1.768) 4.885 15.244 ( -4.448 9.206 11.335) 15.265 15.376 ( -0.535 -2.113 -1.095) 2.440 15.495 ( -1.740 2.834 0.440) 3.354 15.508 ( -0.911 2.250 -0.987) 2.621 16.227 ( -0.279 -0.107 0.002) 0.299 16.243 ( 0.584 -0.994 -0.364) 1.209 19.873 ( -0.590 0.021 -0.607) 0.846 20.072 ( -0.906 -4.866 -2.503) 5.546 20.129 ( 3.866 -0.162 0.485) 3.900 20.280 ( 6.070 -10.588 -11.179) 16.550 26.019 ( -0.050 0.036 0.007) 0.062 26.021 ( 0.032 -0.082 -0.006) 0.089 26.392 ( 2.659 2.130 -0.620) 3.463 26.431 ( -2.506 1.808 -0.727) 3.175 26.529 ( 3.224 0.178 1.739) 3.668 26.676 ( 0.114 -6.413 -11.286) 12.981 27.850 ( 0.565 -0.016 -0.970) 1.123 27.894 ( 4.376 -0.853 -0.569) 4.495 27.943 ( 0.301 -1.199 0.707) 1.424 28.080 ( 2.232 -4.230 -0.523) 4.811 28.115 ( 1.620 -4.550 1.033) 4.939 28.208 ( 7.578 -18.646 -12.765) 23.834 30.289 ( -0.541 1.191 -0.587) 1.434 30.333 ( 0.024 -0.865 -0.371) 0.942 30.343 ( 0.268 -1.343 -0.290) 1.400 30.389 ( 3.213 -4.569 0.494) 5.608 31.948 ( -27.841 46.580 42.869) 69.156 32.576 ( -8.308 14.563 -2.222) 16.913 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.362 -15.579 19.853) 25.610 1.290 ( 12.321 -16.606 13.139) 24.499 1.938 ( 5.444 -3.609 -10.215) 12.125 1.968 ( 2.576 -3.406 -15.789) 16.356 2.278 ( 9.378 -13.469 21.088) 26.722 2.545 ( -8.523 13.162 -0.239) 15.683 2.673 ( -8.406 8.000 -0.368) 11.611 2.700 ( -4.519 4.182 -0.721) 6.199 2.778 ( -5.548 2.807 0.221) 6.222 2.812 ( -0.813 3.677 2.841) 4.717 2.895 ( -1.862 6.142 -2.776) 6.992 2.962 ( 0.007 0.193 1.121) 1.137 2.974 ( 0.935 3.418 1.039) 3.693 3.174 ( -1.161 3.987 -0.838) 4.236 3.361 ( 2.141 -1.040 -2.296) 3.307 3.388 ( -0.667 -2.664 -2.058) 3.432 3.598 ( 2.920 -5.783 -0.144) 6.480 3.779 ( -0.019 -2.427 -13.928) 14.138 3.934 ( 0.307 2.239 -1.807) 2.893 4.058 ( 1.527 1.462 1.897) 2.840 4.285 ( 0.527 -0.228 -2.887) 2.943 4.382 ( 1.249 -2.080 -2.290) 3.336 4.411 ( -0.111 -1.518 2.979) 3.346 4.499 ( 1.235 0.193 -4.686) 4.849 4.623 ( 1.577 -0.673 -1.456) 2.249 4.846 ( 1.029 -1.542 -4.672) 5.026 4.892 ( 4.730 -1.916 -8.554) 9.961 4.931 ( 0.891 -1.045 -4.445) 4.653 5.191 ( -0.062 -0.274 -0.944) 0.985 5.332 ( -1.561 -1.360 1.861) 2.783 5.401 ( 1.490 -4.613 1.804) 5.172 5.503 ( -1.873 0.905 0.823) 2.237 5.642 ( 0.631 -4.138 9.773) 10.631 5.988 ( 2.829 7.222 6.823) 10.330 6.027 ( -6.423 4.616 4.464) 9.082 6.215 ( -12.618 23.180 7.140) 27.341 7.625 ( -3.052 0.914 -2.876) 4.292 7.789 ( -0.466 3.459 -6.243) 7.153 7.876 ( -6.846 9.434 4.012) 12.327 8.071 ( -3.253 6.240 1.288) 7.154 8.170 ( -2.363 3.528 -0.386) 4.264 8.200 ( -1.019 2.441 0.716) 2.741 9.029 ( -0.688 -0.471 -1.881) 2.057 9.225 ( 0.314 -3.475 0.492) 3.524 9.296 ( 3.704 -4.121 -5.937) 8.121 9.461 ( 2.518 -4.412 -8.645) 10.027 9.632 ( 2.142 -0.840 9.117) 9.403 9.893 ( -1.655 -2.290 5.632) 6.301 9.990 ( 4.904 -4.872 2.679) 7.413 10.122 ( 4.390 -5.557 -3.606) 7.947 10.275 ( 1.780 -5.488 -2.245) 6.191 10.320 ( 4.871 -8.574 2.126) 10.087 12.270 ( 1.677 -2.965 -0.216) 3.413 12.370 ( 2.751 -2.020 0.633) 3.471 12.651 ( 5.415 -8.851 3.251) 10.874 12.877 ( 2.461 -7.328 -10.961) 13.413 13.018 ( -2.686 4.254 -0.224) 5.036 13.043 ( -1.039 3.497 -0.317) 3.662 13.183 ( 0.816 0.163 -0.132) 0.842 13.354 ( -1.608 -0.135 -8.286) 8.442 13.532 ( -2.332 4.846 7.359) 9.115 13.676 ( -2.500 4.880 1.085) 5.590 15.139 ( -2.219 5.044 10.065) 11.475 15.407 ( -1.201 0.446 0.240) 1.303 15.424 ( -0.903 0.392 -2.556) 2.739 15.466 ( -0.243 1.321 -1.512) 2.022 16.241 ( 0.480 -1.443 0.185) 1.532 16.278 ( 1.220 -2.207 -0.706) 2.619 19.872 ( -0.272 -0.235 0.964) 1.029 20.120 ( 0.024 -2.728 -3.400) 4.359 20.185 ( 2.093 -2.512 3.025) 4.454 20.377 ( 2.417 -2.097 -9.485) 10.010 26.019 ( -0.029 -0.037 0.049) 0.068 26.022 ( 0.014 -0.025 -0.078) 0.083 26.339 ( -2.889 3.394 0.732) 4.517 26.400 ( 0.967 0.929 0.563) 1.454 26.575 ( 3.406 -1.182 0.928) 3.723 26.675 ( -1.383 -0.909 -11.412) 11.531 27.850 ( 0.261 0.264 -0.841) 0.919 27.946 ( 1.958 -0.508 0.374) 2.057 27.988 ( 2.945 -3.164 -0.648) 4.371 28.194 ( 1.799 -6.899 1.564) 7.299 28.220 ( 1.803 -4.296 2.547) 5.310 28.485 ( 6.048 -12.475 -16.711) 21.713 30.255 ( -0.809 1.658 -1.078) 2.137 30.353 ( -0.972 -1.976 -0.100) 2.204 30.371 ( 1.779 -0.861 -0.752) 2.115 30.549 ( 5.811 -9.325 0.657) 11.007 31.280 ( -17.285 29.040 40.980) 53.117 32.125 ( -13.260 23.032 -6.861) 27.447 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 7.522 -16.086 13.942) 22.577 1.695 ( 8.957 -13.039 8.715) 18.061 1.950 ( 0.568 -0.756 -13.481) 13.514 2.044 ( 5.209 -6.744 -8.352) 11.932 2.212 ( -10.561 13.335 -2.376) 17.175 2.371 ( -2.292 4.931 -1.108) 5.549 2.489 ( -3.524 5.716 2.809) 7.279 2.573 ( -5.688 4.521 -1.817) 7.489 2.749 ( -0.704 5.207 0.488) 5.277 2.750 ( -3.322 -0.662 0.917) 3.510 2.804 ( -0.410 1.531 -1.722) 2.341 2.958 ( 1.028 4.121 -3.458) 5.477 3.065 ( 1.559 -2.454 4.922) 5.717 3.162 ( 5.624 -6.979 10.707) 13.963 3.384 ( 1.699 -1.003 -2.914) 3.519 3.403 ( -1.256 -0.994 -1.644) 2.295 3.690 ( 0.567 -3.151 0.819) 3.304 3.767 ( -0.259 0.929 -6.015) 6.092 3.922 ( 1.637 0.328 -3.752) 4.107 4.056 ( 0.813 1.166 1.267) 1.903 4.282 ( 1.061 -0.654 -3.989) 4.179 4.400 ( 0.019 -1.153 -0.542) 1.274 4.456 ( 0.120 -1.438 5.283) 5.477 4.515 ( 1.253 -2.742 0.735) 3.103 4.625 ( 0.286 0.514 -3.568) 3.616 4.867 ( 2.483 -1.176 -2.449) 3.680 4.891 ( 0.752 1.199 -5.729) 5.902 4.934 ( 1.323 0.359 -3.492) 3.751 5.164 ( -1.799 2.855 2.764) 4.362 5.317 ( -3.616 3.345 7.591) 9.050 5.433 ( 0.199 -1.219 -3.195) 3.426 5.540 ( 0.275 -3.479 -0.884) 3.600 5.670 ( -1.464 3.859 0.455) 4.152 5.860 ( -0.629 5.425 2.081) 5.844 5.929 ( -4.206 1.174 8.405) 9.472 6.009 ( -1.187 2.459 -0.049) 2.731 7.545 ( -2.250 2.815 -1.176) 3.791 7.681 ( -5.672 6.358 1.111) 8.592 7.762 ( 0.832 -0.586 -1.789) 2.058 7.959 ( -2.279 4.265 1.582) 5.087 8.093 ( -0.716 2.959 -1.102) 3.238 8.159 ( -0.064 2.056 0.026) 2.057 9.034 ( -1.811 -2.238 -1.950) 3.477 9.282 ( 0.490 -2.113 2.092) 3.013 9.357 ( 3.301 -1.557 -4.001) 5.416 9.515 ( 1.362 -3.560 -7.808) 8.689 9.688 ( 1.236 0.057 8.147) 8.241 9.919 ( -1.813 0.121 8.210) 8.409 10.128 ( 3.560 -5.177 -0.410) 6.296 10.200 ( 4.174 -1.301 -6.415) 7.763 10.363 ( 0.232 -4.704 -2.069) 5.144 10.495 ( 2.806 -5.220 1.499) 6.113 12.333 ( 1.786 -2.304 -0.170) 2.920 12.433 ( 1.587 -2.334 0.526) 2.871 12.766 ( 0.254 -0.440 1.131) 1.240 12.880 ( -1.995 2.175 -2.090) 3.617 12.968 ( 0.006 -0.504 0.310) 0.592 13.023 ( 1.197 -0.740 -1.233) 1.871 13.184 ( 0.354 0.033 0.359) 0.505 13.331 ( -0.674 -1.362 -5.316) 5.529 13.435 ( -3.048 4.878 2.342) 6.211 13.596 ( -0.314 3.854 2.941) 4.858 15.087 ( -2.390 2.683 5.567) 6.626 15.349 ( -0.528 1.562 -2.226) 2.770 15.424 ( -1.027 0.167 -0.774) 1.297 15.475 ( 1.527 -1.371 -0.203) 2.062 16.276 ( 0.549 -1.584 0.377) 1.718 16.324 ( 1.139 -1.842 -0.366) 2.197 19.880 ( -0.350 -0.272 2.325) 2.367 20.139 ( -0.513 -1.531 -4.029) 4.341 20.265 ( 2.452 -2.574 3.539) 5.016 20.366 ( 0.615 0.668 -5.567) 5.641 26.020 ( 0.016 -0.021 0.045) 0.052 26.021 ( -0.024 -0.022 -0.105) 0.110 26.269 ( -1.875 2.419 2.261) 3.806 26.404 ( 0.652 0.180 1.620) 1.756 26.621 ( -1.421 0.348 -9.517) 9.628 26.641 ( 3.474 -2.460 0.087) 4.258 27.841 ( -0.002 0.492 -0.512) 0.710 27.962 ( 0.040 -0.327 0.753) 0.822 28.073 ( 3.431 -3.234 -2.257) 5.227 28.286 ( -0.619 -1.415 2.697) 3.108 28.329 ( 1.557 -4.971 2.724) 5.878 28.637 ( 4.488 -7.836 -11.668) 14.754 30.213 ( -1.005 1.967 -0.270) 2.225 30.372 ( -2.377 -2.109 -0.330) 3.195 30.397 ( 2.953 0.212 -0.844) 3.079 30.816 ( 7.885 -13.122 1.152) 15.352 30.902 ( -9.996 16.847 28.211) 34.345 31.567 ( -13.187 22.872 -10.229) 28.314 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -5.709 16.802 -0.430) 17.751 1.909 ( -0.394 8.180 6.836) 10.668 1.997 ( -1.569 -5.849 -5.676) 8.300 2.055 ( 9.358 -15.490 4.279) 18.596 2.185 ( 1.908 -6.266 -1.376) 6.693 2.312 ( 1.601 -1.429 0.532) 2.210 2.405 ( -1.203 4.210 -4.414) 6.218 2.475 ( -2.294 -2.371 -0.572) 3.348 2.708 ( 2.208 1.155 1.536) 2.927 2.717 ( -2.553 0.906 -1.737) 3.218 2.791 ( 1.299 -1.276 -3.519) 3.963 2.859 ( -0.054 3.206 -3.746) 4.931 3.143 ( 2.269 -2.632 4.963) 6.059 3.280 ( -4.399 7.099 5.660) 10.089 3.387 ( -2.240 -0.550 -1.483) 2.742 3.404 ( 1.471 -0.745 -0.524) 1.730 3.645 ( -1.572 4.810 -3.895) 6.386 3.779 ( -0.325 -5.554 0.610) 5.597 3.917 ( 1.394 -0.578 -4.273) 4.531 4.044 ( -0.496 0.806 1.162) 1.499 4.287 ( 0.071 -0.626 -4.246) 4.293 4.403 ( 0.451 1.188 -0.078) 1.273 4.500 ( -0.282 -1.621 3.593) 3.952 4.593 ( -0.984 -0.530 -0.625) 1.281 4.673 ( 5.266 -7.139 5.296) 10.332 4.846 ( 0.219 -0.365 -7.684) 7.695 4.899 ( 2.708 1.168 -2.713) 4.007 4.945 ( 2.760 -3.073 1.505) 4.396 5.124 ( -3.350 0.456 7.070) 7.836 5.247 ( -2.469 2.994 5.259) 6.536 5.453 ( 0.110 -1.663 -4.271) 4.585 5.536 ( -0.012 3.237 -3.574) 4.822 5.588 ( -0.796 1.787 -4.339) 4.760 5.841 ( 2.602 0.453 0.800) 2.760 5.915 ( -3.928 3.539 -3.030) 6.094 5.982 ( -2.137 -2.223 11.318) 11.730 7.515 ( 0.615 -0.860 -0.389) 1.127 7.591 ( -0.875 0.689 0.791) 1.366 7.790 ( 0.890 -2.112 -0.445) 2.335 7.908 ( -0.658 0.628 1.514) 1.766 8.062 ( 1.388 0.547 -1.226) 1.931 8.132 ( 0.528 1.198 -0.694) 1.482 9.048 ( -2.266 -2.560 -1.738) 3.836 9.317 ( -0.028 -0.906 1.369) 1.642 9.385 ( 3.468 1.091 0.003) 3.635 9.548 ( 0.826 -2.610 -7.199) 7.702 9.717 ( 0.203 1.049 7.352) 7.429 9.911 ( -1.351 2.772 6.366) 7.074 10.195 ( 0.282 1.537 -0.243) 1.581 10.212 ( 1.411 -2.156 -6.108) 6.629 10.407 ( -0.783 -1.337 -1.388) 2.080 10.533 ( -1.574 1.630 -1.045) 2.496 12.366 ( 0.766 0.065 -0.105) 0.775 12.459 ( -0.860 0.370 0.161) 0.950 12.766 ( 0.406 -0.734 -0.615) 1.040 12.825 ( -0.731 1.369 0.221) 1.568 12.972 ( -0.889 0.169 -0.127) 0.913 13.058 ( 1.647 -1.655 0.331) 2.358 13.202 ( 0.474 -1.590 0.554) 1.749 13.308 ( -1.866 2.326 0.425) 3.012 13.391 ( 1.558 -2.173 -4.374) 5.127 13.566 ( 0.842 1.744 4.214) 4.638 15.037 ( -3.450 1.923 2.583) 4.719 15.336 ( 1.036 -0.449 -1.826) 2.147 15.417 ( -0.277 -0.509 -0.146) 0.598 15.504 ( 1.179 -0.232 0.288) 1.236 16.293 ( -0.325 0.027 0.267) 0.421 16.349 ( 0.320 -0.213 0.060) 0.389 19.893 ( -0.522 -0.453 3.131) 3.206 20.126 ( -1.274 0.022 -4.666) 4.836 20.300 ( 0.814 2.804 2.190) 3.649 20.384 ( 2.183 -4.399 -2.173) 5.370 26.018 ( 0.031 0.114 -0.113) 0.163 26.023 ( -0.010 -0.126 0.045) 0.134 26.247 ( 0.442 0.542 2.904) 2.987 26.417 ( -0.137 -0.419 2.570) 2.607 26.567 ( -1.515 0.465 -7.120) 7.294 26.722 ( 3.484 -3.337 -1.598) 5.082 27.834 ( 0.351 0.178 -0.389) 0.553 27.965 ( -0.808 -0.187 0.624) 1.038 28.127 ( 0.887 -1.681 -3.639) 4.105 28.270 ( -2.362 2.723 3.311) 4.894 28.381 ( -0.319 0.499 1.915) 2.004 28.780 ( 5.278 -8.158 -7.909) 12.528 30.178 ( -0.839 1.538 4.534) 4.861 30.373 ( -2.882 -1.331 -0.654) 3.241 30.409 ( 2.793 1.444 -0.603) 3.202 30.666 ( -6.999 11.205 18.704) 22.899 31.016 ( -7.252 13.237 -8.888) 17.516 31.251 ( 8.648 -14.657 -2.327) 17.176 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -6.688 22.329 3.427) 23.559 1.616 ( -9.561 18.765 -0.605) 21.069 2.088 ( 0.884 -0.878 -1.088) 1.654 2.157 ( -2.636 4.534 -2.142) 5.665 2.316 ( -4.744 3.740 -3.539) 7.001 2.390 ( 6.222 -8.037 2.913) 10.573 2.477 ( 8.509 -10.064 2.502) 13.415 2.563 ( 3.807 -6.651 -3.299) 8.344 2.693 ( 0.994 -2.238 3.547) 4.310 2.777 ( 2.945 -3.296 -1.209) 4.582 2.834 ( 4.173 -1.351 -4.212) 6.082 2.841 ( -1.052 -3.257 -1.745) 3.842 2.972 ( -7.975 12.378 2.902) 15.009 3.227 ( 2.266 -1.775 3.188) 4.295 3.360 ( -2.732 0.231 -0.733) 2.838 3.435 ( 1.258 -0.785 1.417) 2.051 3.564 ( -1.178 2.977 -3.988) 5.114 3.889 ( -0.267 -6.563 1.867) 6.829 3.932 ( 1.150 -1.587 -3.662) 4.153 4.033 ( -1.737 -0.370 1.090) 2.084 4.279 ( -0.336 -0.654 -2.916) 3.007 4.382 ( 0.450 0.938 -0.925) 1.392 4.528 ( -1.969 -2.056 -0.498) 2.890 4.593 ( -0.317 0.292 0.195) 0.473 4.722 ( -1.820 1.665 -0.305) 2.486 4.880 ( 1.714 1.444 0.275) 2.258 4.927 ( 3.450 -4.405 -5.457) 7.816 5.103 ( -4.032 0.177 2.596) 4.799 5.151 ( 5.891 -12.347 6.071) 14.967 5.254 ( 3.107 -1.113 4.807) 5.831 5.422 ( -2.910 1.512 -3.573) 4.850 5.477 ( 2.396 1.916 -3.175) 4.415 5.531 ( -1.736 2.827 -1.527) 3.652 5.806 ( -1.405 3.233 -5.274) 6.344 5.872 ( 0.673 -1.347 1.528) 2.145 6.024 ( -1.869 0.054 10.384) 10.551 7.573 ( 3.560 -3.127 -2.578) 5.394 7.653 ( 3.534 -6.023 1.962) 7.253 7.845 ( 0.903 -3.599 0.316) 3.724 7.944 ( 1.295 -3.926 1.628) 4.443 8.081 ( 3.035 -0.135 -1.712) 3.487 8.132 ( 0.718 -1.203 -0.518) 1.494 9.058 ( -2.025 -1.891 -1.958) 3.392 9.321 ( 0.068 0.402 -1.514) 1.568 9.389 ( 2.335 2.860 4.680) 5.961 9.559 ( 0.752 -0.906 -6.491) 6.597 9.702 ( -2.969 3.011 4.320) 6.045 9.842 ( -0.676 5.366 1.609) 5.642 10.130 ( -3.029 4.503 1.503) 5.631 10.220 ( -0.967 -0.284 -0.877) 1.336 10.376 ( -2.593 3.072 -1.490) 4.287 10.412 ( -4.036 7.468 -2.018) 8.725 12.344 ( -0.743 2.255 0.018) 2.374 12.412 ( -2.379 2.749 0.140) 3.638 12.746 ( -2.285 4.127 0.401) 4.734 12.859 ( 2.766 -4.674 -1.556) 5.650 12.973 ( 0.172 -1.794 0.317) 1.830 13.101 ( 1.506 -1.295 -0.696) 2.105 13.230 ( 0.947 0.060 -3.410) 3.539 13.287 ( 0.055 -1.851 3.999) 4.407 13.454 ( 2.602 -4.144 -4.768) 6.832 13.590 ( 1.699 -1.100 5.110) 5.496 14.983 ( -3.439 1.464 2.740) 4.634 15.363 ( 1.743 -1.799 -1.000) 2.697 15.434 ( 0.571 -1.314 -0.614) 1.558 15.505 ( 0.305 1.013 0.405) 1.133 16.274 ( -0.982 1.338 0.277) 1.683 16.335 ( -0.691 1.640 -0.087) 1.782 19.911 ( -0.225 -0.622 3.512) 3.573 20.083 ( -1.690 1.125 -4.287) 4.743 20.252 ( -0.931 2.998 0.806) 3.241 20.484 ( 3.381 -4.526 -2.382) 6.131 26.017 ( 0.045 0.018 -0.045) 0.066 26.024 ( -0.009 0.010 -0.010) 0.017 26.281 ( 2.692 -1.403 2.554) 3.967 26.432 ( -1.236 -0.865 2.853) 3.227 26.522 ( -1.456 0.484 -4.947) 5.179 26.799 ( 2.898 -3.438 -4.633) 6.456 27.842 ( 0.682 -0.674 -0.524) 1.093 27.956 ( -1.256 0.509 0.598) 1.481 28.108 ( -1.934 1.390 -4.172) 4.804 28.196 ( -4.162 3.601 4.026) 6.819 28.337 ( -0.123 4.995 1.894) 5.344 28.910 ( 4.336 -5.357 -15.400) 16.872 30.214 ( 0.892 -1.801 19.806) 19.908 30.358 ( -3.020 -0.646 -0.391) 3.113 30.397 ( 2.361 2.683 -0.083) 3.575 30.521 ( -4.595 6.617 10.759) 13.441 30.672 ( -6.512 11.727 -7.636) 15.435 31.701 ( 13.404 -22.523 -2.282) 26.310 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -4.613 21.853 11.075) 24.930 1.138 ( -11.726 24.835 -0.284) 27.466 1.825 ( -14.995 27.522 16.366) 35.358 2.037 ( -2.800 4.533 -4.381) 6.898 2.132 ( -2.422 4.460 -9.435) 10.713 2.618 ( 5.832 -11.451 0.418) 12.858 2.715 ( 6.257 -6.848 -0.138) 9.277 2.722 ( 6.648 -6.325 0.534) 9.191 2.781 ( 1.202 -4.752 3.242) 5.877 2.849 ( 3.413 -3.169 -0.962) 4.756 2.886 ( 2.114 -3.789 -0.608) 4.381 2.908 ( 2.757 -4.588 -2.203) 5.788 2.956 ( 1.854 -7.293 -2.025) 7.793 3.268 ( 1.621 0.293 1.421) 2.175 3.324 ( -2.709 0.674 -0.921) 2.939 3.452 ( 0.280 1.251 1.108) 1.695 3.482 ( -0.686 3.820 -2.167) 4.445 3.955 ( 0.989 -2.613 -1.695) 3.268 4.012 ( 0.600 -5.249 0.109) 5.284 4.036 ( -2.502 -3.647 -1.591) 4.701 4.284 ( -0.564 -1.496 -1.965) 2.534 4.373 ( 0.002 -0.106 -3.673) 3.675 4.507 ( -4.219 1.953 0.500) 4.676 4.564 ( -0.147 1.254 -3.958) 4.154 4.676 ( -1.981 0.804 -2.872) 3.580 4.868 ( 1.324 1.361 -1.537) 2.443 4.967 ( 1.067 0.186 -5.229) 5.340 5.064 ( -2.909 -0.391 -3.255) 4.383 5.269 ( -0.237 3.012 4.007) 5.018 5.364 ( -2.385 -4.478 -10.313) 11.494 5.415 ( 1.564 2.159 3.103) 4.091 5.471 ( 1.913 1.125 1.872) 2.903 5.504 ( 0.556 -4.381 3.110) 5.401 5.742 ( 0.470 1.163 -3.392) 3.616 5.992 ( 4.928 -8.217 14.506) 17.385 6.056 ( 1.958 -3.380 10.276) 10.993 7.635 ( 3.118 -2.027 -5.877) 6.955 7.852 ( 7.043 -8.256 4.624) 11.796 7.936 ( 1.026 -6.747 -1.227) 6.934 8.065 ( 2.634 -6.815 1.501) 7.459 8.101 ( 2.778 -0.232 -1.365) 3.104 8.184 ( 1.620 -3.207 -0.260) 3.603 9.060 ( -1.282 -1.383 -1.879) 2.662 9.285 ( 0.335 3.528 -3.246) 4.805 9.372 ( 1.157 3.620 5.178) 6.423 9.541 ( 0.308 1.310 -4.516) 4.712 9.553 ( -8.780 5.993 -5.655) 12.041 9.786 ( 1.137 3.348 4.840) 5.994 10.008 ( -5.616 5.620 3.402) 8.643 10.150 ( -5.299 11.552 -0.413) 12.716 10.214 ( -1.585 2.793 0.874) 3.328 10.315 ( -2.064 3.041 -0.423) 3.700 12.289 ( -1.606 2.650 0.092) 3.100 12.344 ( -2.173 2.469 0.203) 3.295 12.593 ( -5.003 9.220 0.282) 10.493 12.974 ( 2.821 -5.349 -3.785) 7.134 13.039 ( 1.859 -4.056 0.348) 4.476 13.105 ( 0.366 1.097 -3.694) 3.871 13.210 ( 0.955 1.061 -6.901) 7.047 13.369 ( 1.348 -3.775 5.955) 7.179 13.520 ( 1.573 -3.360 -6.073) 7.116 13.670 ( 2.084 -3.455 5.663) 6.954 14.967 ( -1.051 -0.877 7.950) 8.067 15.420 ( 2.254 -2.522 -0.083) 3.383 15.445 ( -0.154 0.641 -1.003) 1.200 15.497 ( 0.209 -0.601 -0.527) 0.826 16.244 ( -0.773 1.055 0.263) 1.334 16.289 ( -1.046 2.341 -0.615) 2.636 19.932 ( -0.104 -0.263 3.085) 3.098 20.031 ( -1.234 1.405 -3.090) 3.612 20.197 ( -1.722 2.146 -0.042) 2.752 20.551 ( 2.003 -1.558 -8.280) 8.660 26.018 ( 0.026 -0.072 0.020) 0.079 26.023 ( -0.007 0.129 -0.045) 0.137 26.357 ( 3.365 -2.780 1.588) 4.645 26.441 ( -2.558 -1.183 2.003) 3.457 26.486 ( -1.017 0.348 -2.999) 3.186 26.844 ( 2.388 -1.578 -9.808) 10.218 27.862 ( 0.135 -1.345 -0.883) 1.614 27.926 ( -2.039 1.394 0.211) 2.479 28.036 ( -1.912 3.264 -0.418) 3.805 28.108 ( -5.155 2.531 1.247) 5.877 28.238 ( -0.029 7.310 1.167) 7.402 28.839 ( -1.370 6.642 -34.009) 34.679 30.335 ( -2.945 -0.177 0.106) 2.953 30.354 ( 2.446 2.523 1.297) 3.745 30.419 ( -2.550 2.274 5.750) 6.688 30.454 ( -3.327 6.279 -4.120) 8.214 30.539 ( 7.864 -13.955 50.828) 53.293 32.192 ( 12.660 -21.242 -2.657) 24.870 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -4.858 14.249 22.595) 27.151 0.666 ( -2.817 20.251 18.307) 27.444 1.281 ( -15.075 27.946 38.987) 50.281 1.938 ( -1.653 2.209 -6.516) 7.076 2.011 ( -0.044 3.757 -10.298) 10.962 2.780 ( 0.188 -2.900 0.206) 2.913 2.812 ( 0.410 -3.122 -1.511) 3.493 2.852 ( 4.811 -2.337 -0.305) 5.358 2.898 ( 2.460 -1.984 0.734) 3.244 2.973 ( 5.142 -8.866 -0.716) 10.274 3.011 ( 5.435 -6.617 -1.230) 8.650 3.039 ( 1.494 -9.209 -0.616) 9.350 3.099 ( 3.273 -6.245 -0.199) 7.054 3.259 ( -1.036 1.576 -0.901) 2.090 3.271 ( -1.531 2.626 -0.318) 3.056 3.373 ( -1.854 5.157 -2.844) 6.174 3.416 ( -0.744 5.503 0.665) 5.592 4.019 ( 1.431 -3.340 0.673) 3.695 4.045 ( -2.335 -2.372 1.823) 3.795 4.109 ( -0.061 -6.327 -17.040) 18.177 4.295 ( 0.454 -0.375 -1.124) 1.269 4.338 ( -1.001 1.906 -4.965) 5.412 4.409 ( -3.270 4.163 0.959) 5.380 4.520 ( -1.300 3.057 -8.248) 8.892 4.588 ( -2.230 7.736 -8.313) 11.573 4.852 ( 1.397 1.893 -3.662) 4.353 4.880 ( -6.261 4.421 -15.559) 17.345 4.977 ( -4.072 3.508 -7.579) 9.291 5.209 ( -2.513 3.299 -0.213) 4.153 5.285 ( -2.805 -0.518 5.610) 6.293 5.403 ( -0.804 2.398 2.628) 3.648 5.450 ( -0.732 1.736 -4.956) 5.302 5.543 ( -0.480 0.511 2.831) 2.917 5.775 ( 3.093 0.575 8.719) 9.269 6.170 ( 3.989 -7.879 13.147) 15.838 6.620 ( 22.209 -36.238 32.745) 53.653 7.652 ( 0.935 -0.974 -7.611) 7.730 7.998 ( 1.887 -2.693 5.180) 6.135 8.054 ( 2.828 -1.814 -7.527) 8.243 8.184 ( 4.409 -6.492 1.663) 8.022 8.205 ( 2.735 -5.222 1.889) 6.190 8.248 ( 1.560 -2.267 0.009) 2.751 9.072 ( -0.869 -1.802 -0.545) 2.073 9.182 ( 0.395 6.815 -3.407) 7.629 9.272 ( -5.969 4.760 -5.327) 9.309 9.427 ( -2.112 0.021 0.112) 2.116 9.495 ( -1.672 1.762 -2.559) 3.528 9.760 ( 0.420 2.930 3.631) 4.684 9.877 ( -5.486 6.623 3.623) 9.331 9.912 ( -1.382 9.381 3.173) 9.999 10.162 ( -1.816 1.831 -1.051) 2.785 10.251 ( -2.226 2.419 -0.331) 3.304 12.236 ( -1.877 1.447 -0.185) 2.377 12.296 ( -2.544 0.663 0.233) 2.640 12.389 ( -3.467 8.619 -0.246) 9.293 12.832 ( -10.957 19.076 -24.400) 32.853 13.120 ( 1.720 -3.017 -0.312) 3.487 13.124 ( 1.692 -3.213 0.217) 3.638 13.169 ( 1.568 0.956 -6.497) 6.751 13.464 ( 1.460 -2.517 7.291) 7.850 13.539 ( -0.211 -1.211 -7.805) 7.902 13.768 ( 1.025 -3.162 5.212) 6.182 15.123 ( 6.232 -11.156 17.229) 21.450 15.403 ( -1.074 1.863 -0.724) 2.269 15.490 ( 1.429 -2.511 0.983) 3.052 15.516 ( 0.751 -1.259 -1.782) 2.307 16.232 ( -0.227 0.034 0.187) 0.296 16.244 ( -0.503 1.403 -0.742) 1.664 19.927 ( -2.430 0.295 -0.173) 2.454 20.007 ( 2.613 1.351 0.077) 2.943 20.149 ( -2.789 0.860 -1.653) 3.354 20.420 ( -6.080 12.537 -19.982) 24.361 26.019 ( -0.004 -0.050 0.026) 0.056 26.020 ( 0.003 0.089 -0.020) 0.091 26.411 ( -5.464 -2.517 -0.814) 6.071 26.452 ( 3.135 -0.649 0.285) 3.214 26.473 ( -0.788 -0.694 -0.296) 1.091 26.775 ( 0.546 8.007 -15.873) 17.786 27.870 ( -1.554 -0.503 -1.667) 2.334 27.884 ( -3.363 -0.068 0.205) 3.370 27.963 ( -2.518 2.935 1.519) 4.155 28.044 ( -0.679 1.609 -1.713) 2.446 28.119 ( -0.401 6.298 -0.069) 6.311 28.362 ( -10.731 24.994 -29.933) 40.446 30.311 ( -1.342 0.232 -0.046) 1.362 30.333 ( 1.302 1.635 -0.312) 2.113 30.352 ( -1.032 2.629 -1.406) 3.155 30.367 ( -2.277 1.517 1.187) 2.983 31.518 ( 30.603 -54.207 75.544) 97.887 32.586 ( 8.161 -13.581 -1.499) 15.915 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 8.488 0.000 27.884) 29.147 0.996 ( 12.688 0.000 23.318) 26.547 1.870 ( 13.411 0.000 9.775) 16.595 1.898 ( 6.252 0.000 -12.857) 14.297 1.928 ( 14.274 0.000 20.438) 24.929 2.742 ( -3.334 -0.000 -1.444) 3.633 2.763 ( -4.731 -0.000 -1.153) 4.869 2.801 ( -11.133 -0.000 -2.176) 11.344 2.903 ( -0.886 -0.000 1.056) 1.378 2.960 ( -12.433 -0.000 -0.802) 12.458 3.019 ( -6.524 -0.000 -1.059) 6.610 3.039 ( -7.715 -0.000 0.758) 7.753 3.106 ( -6.598 -0.000 0.208) 6.601 3.233 ( 4.326 0.000 -3.159) 5.356 3.267 ( -1.185 -0.000 -1.849) 2.196 3.355 ( 4.850 0.000 2.621) 5.513 3.430 ( 8.714 0.000 -1.865) 8.912 3.714 ( -0.120 -0.000 -32.498) 32.498 4.029 ( -2.293 -0.000 0.284) 2.310 4.067 ( -1.661 -0.000 2.150) 2.717 4.164 ( 0.472 0.000 -1.881) 1.940 4.376 ( 2.095 0.000 -0.772) 2.232 4.376 ( 5.945 0.000 -1.699) 6.183 4.515 ( 6.420 0.000 -6.992) 9.493 4.574 ( 3.090 0.000 0.147) 3.093 4.771 ( 8.856 0.000 -3.461) 9.508 4.856 ( 3.852 0.000 -6.948) 7.945 4.899 ( 1.508 0.000 -2.404) 2.838 5.206 ( 1.131 0.000 2.175) 2.452 5.249 ( -3.248 -0.000 -4.796) 5.793 5.352 ( -1.219 -0.000 4.549) 4.709 5.463 ( 0.449 0.000 6.700) 6.715 5.584 ( 1.347 0.000 5.596) 5.756 5.982 ( 7.022 0.000 0.977) 7.090 6.323 ( -17.172 -0.000 17.945) 24.837 6.900 ( -37.873 -0.000 5.634) 38.290 7.609 ( -1.076 -0.000 -3.263) 3.436 7.881 ( -3.459 -0.000 -11.058) 11.586 8.125 ( -3.037 -0.000 4.770) 5.655 8.150 ( -8.794 -0.000 1.136) 8.867 8.219 ( -4.624 -0.000 0.665) 4.672 8.248 ( -2.618 -0.000 0.328) 2.639 9.099 ( 1.757 0.000 -0.069) 1.759 9.111 ( -1.101 -0.000 -0.374) 1.163 9.217 ( 7.153 0.000 -4.869) 8.653 9.341 ( 2.701 0.000 -8.449) 8.870 9.603 ( 2.042 0.000 9.084) 9.311 9.875 ( 1.650 0.000 3.958) 4.288 9.895 ( 9.771 0.000 0.434) 9.780 9.904 ( 6.593 0.000 4.274) 7.857 10.121 ( 4.230 0.000 -0.381) 4.247 10.217 ( 5.396 0.000 -4.293) 6.895 12.283 ( 3.052 0.000 0.347) 3.072 12.304 ( 2.964 0.000 -1.598) 3.368 12.416 ( 10.364 0.000 2.550) 10.673 12.536 ( 22.136 0.000 -12.848) 25.594 13.110 ( -3.795 -0.000 0.139) 3.798 13.131 ( -3.258 -0.000 0.159) 3.262 13.183 ( 1.381 0.000 -0.387) 1.434 13.350 ( -3.344 -0.000 -11.498) 11.975 13.626 ( -1.511 -0.000 10.497) 10.605 13.773 ( -4.385 -0.000 0.318) 4.396 15.298 ( -6.819 -0.000 8.650) 11.015 15.344 ( -0.396 -0.000 -1.125) 1.192 15.494 ( -3.838 -0.000 0.107) 3.840 15.511 ( -2.796 -0.000 -0.522) 2.844 16.224 ( -0.152 -0.000 -0.096) 0.180 16.240 ( 0.724 0.000 -0.174) 0.745 19.886 ( 1.071 0.000 -1.499) 1.843 20.002 ( 3.066 0.000 -3.004) 4.292 20.145 ( 0.384 0.000 0.632) 0.740 20.271 ( 11.916 0.000 -5.959) 13.323 26.019 ( -0.063 -0.000 -0.021) 0.066 26.020 ( 0.043 0.000 0.031) 0.053 26.415 ( -3.055 -0.000 -0.831) 3.166 26.459 ( 3.295 0.000 -3.548) 4.841 26.544 ( -2.142 -0.000 -1.936) 2.887 26.600 ( 5.909 0.000 -2.886) 6.576 27.870 ( 3.544 0.000 -1.044) 3.695 27.931 ( 1.398 0.000 -0.229) 1.417 27.959 ( 0.975 0.000 0.175) 0.991 28.027 ( 4.385 0.000 -2.166) 4.891 28.118 ( 13.524 0.000 -6.863) 15.165 28.132 ( 5.765 0.000 1.489) 5.955 30.308 ( 0.586 0.000 -0.174) 0.612 30.320 ( 0.144 0.000 -1.665) 1.671 30.344 ( 2.021 0.000 -0.151) 2.027 30.379 ( 3.605 0.000 1.268) 3.821 32.083 ( -48.486 -0.000 32.500) 58.371 32.567 ( -17.534 -0.000 -2.616) 17.728 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 9.751 -6.665 22.286) 25.222 1.278 ( 14.831 -8.354 17.115) 24.138 1.899 ( 5.641 -1.693 -17.079) 18.066 1.904 ( 4.783 -1.474 -16.767) 17.499 2.325 ( 14.258 -5.432 26.886) 30.914 2.612 ( -15.779 6.731 -2.080) 17.281 2.665 ( -7.717 2.261 0.078) 8.042 2.688 ( -6.335 2.107 1.462) 6.834 2.799 ( -3.227 4.401 1.423) 5.640 2.869 ( -4.482 3.893 0.643) 5.971 2.932 ( -2.285 1.851 -0.425) 2.971 2.955 ( -5.227 2.500 0.989) 5.878 3.025 ( -3.108 1.083 3.436) 4.758 3.233 ( 1.626 2.587 -2.808) 4.150 3.293 ( -2.306 -4.819 -2.141) 5.755 3.393 ( 3.830 1.425 -0.766) 4.157 3.548 ( 5.786 -4.364 -0.012) 7.247 3.658 ( 3.399 -4.056 -21.480) 22.123 3.979 ( -0.568 3.024 -0.521) 3.121 4.070 ( -1.370 -1.021 1.708) 2.415 4.214 ( -0.400 -5.085 -2.792) 5.814 4.387 ( 2.507 0.522 0.253) 2.573 4.435 ( 4.073 0.204 0.344) 4.092 4.506 ( 1.522 1.415 -4.408) 4.874 4.622 ( 2.479 -1.253 -0.193) 2.785 4.825 ( 2.241 -0.612 -2.719) 3.577 4.890 ( 6.251 -0.769 -8.638) 10.691 4.916 ( 2.016 -0.533 -2.366) 3.154 5.180 ( -0.184 0.034 -1.225) 1.239 5.310 ( -0.548 -6.347 3.027) 7.053 5.342 ( 2.731 1.471 -0.617) 3.163 5.498 ( -2.408 -1.398 1.031) 2.969 5.645 ( 3.015 -1.246 10.338) 10.841 6.036 ( 1.024 1.342 -0.432) 1.742 6.126 ( -13.853 7.254 10.270) 18.708 6.414 ( -25.514 17.208 4.132) 31.051 7.600 ( -1.168 -0.535 -0.627) 1.430 7.787 ( -3.606 1.375 -8.970) 9.765 7.992 ( -7.765 8.980 2.069) 12.051 8.097 ( -7.170 0.119 0.554) 7.193 8.136 ( -5.728 1.842 2.618) 6.562 8.210 ( -3.158 1.697 -0.006) 3.584 9.052 ( 0.597 3.214 -1.118) 3.454 9.183 ( 2.608 -3.882 0.863) 4.755 9.278 ( 6.284 -1.612 -3.847) 7.542 9.384 ( 3.108 -4.028 -7.529) 9.086 9.663 ( 0.814 -1.375 9.070) 9.210 9.914 ( 3.445 0.764 5.730) 6.729 9.966 ( 4.982 -3.612 -2.246) 6.550 10.063 ( 5.350 -5.015 -0.075) 7.334 10.243 ( 7.502 -4.496 1.070) 8.811 10.271 ( 7.290 -2.702 -2.049) 8.040 12.281 ( 4.946 0.316 -0.286) 4.964 12.381 ( 2.537 -1.800 0.488) 3.149 12.593 ( 10.063 -6.639 3.399) 12.526 12.750 ( 10.141 -7.541 -11.179) 16.872 13.040 ( -5.003 2.865 -0.163) 5.768 13.070 ( -4.029 2.589 0.217) 4.794 13.197 ( 1.236 0.220 0.642) 1.410 13.285 ( -2.653 -1.065 -9.511) 9.932 13.606 ( -3.864 3.804 7.777) 9.481 13.709 ( -3.945 2.100 0.467) 4.494 15.225 ( -4.469 4.562 8.012) 10.246 15.371 ( 0.097 -2.740 0.378) 2.768 15.430 ( -4.002 2.200 -1.495) 4.805 15.474 ( -1.233 1.006 -1.423) 2.135 16.231 ( 0.969 -0.644 0.019) 1.163 16.261 ( 1.714 -1.277 -0.518) 2.199 19.884 ( 1.295 0.577 0.011) 1.418 20.059 ( 1.316 -3.493 -2.731) 4.625 20.168 ( 1.673 -1.345 0.986) 2.362 20.357 ( 5.698 -1.621 -6.202) 8.576 26.018 ( -0.061 0.019 0.018) 0.066 26.021 ( 0.055 -0.056 -0.019) 0.080 26.366 ( -3.025 2.017 1.026) 3.778 26.439 ( 1.765 2.297 -1.352) 3.197 26.550 ( -1.923 -2.918 -2.658) 4.391 26.629 ( 3.028 0.411 -5.484) 6.278 27.888 ( 3.705 2.143 -0.387) 4.298 27.954 ( 2.192 -3.210 -0.236) 3.895 28.014 ( 5.707 1.237 0.488) 5.860 28.074 ( -0.526 -5.932 -0.123) 5.957 28.198 ( 4.517 -3.122 0.357) 5.503 28.324 ( 10.927 -8.395 -10.063) 17.062 30.283 ( 0.181 2.344 -0.181) 2.358 30.322 ( 0.395 -0.738 -2.463) 2.602 30.396 ( 4.510 -1.110 0.549) 4.677 30.467 ( 4.460 -5.623 1.053) 7.254 31.607 ( -33.352 18.846 35.479) 52.214 32.234 ( -22.569 13.043 -6.977) 26.985 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 8.743 -12.126 14.811) 21.044 1.640 ( 12.283 -10.699 11.809) 20.119 1.879 ( 1.421 -2.083 -15.839) 16.039 1.964 ( 6.645 -4.590 -13.056) 15.352 2.297 ( -12.803 9.472 -1.616) 16.008 2.425 ( -2.546 4.086 0.016) 4.815 2.537 ( -7.408 4.572 1.924) 8.916 2.587 ( -5.634 5.057 2.318) 7.917 2.743 ( -1.100 2.082 3.124) 3.912 2.804 ( -4.713 4.748 -2.131) 7.021 2.820 ( -1.423 1.968 2.272) 3.326 2.961 ( -0.145 -3.015 -0.167) 3.024 3.110 ( 5.507 -0.444 7.768) 9.532 3.187 ( 2.917 -0.186 5.659) 6.369 3.337 ( -3.081 -3.855 -1.109) 5.058 3.390 ( 4.446 1.174 -6.080) 7.623 3.649 ( 3.414 -3.187 -3.645) 5.924 3.722 ( 3.248 -4.001 -4.994) 7.176 3.941 ( 1.379 1.374 -2.461) 3.138 4.075 ( -0.827 0.047 1.360) 1.592 4.289 ( 2.018 -3.844 -2.728) 5.127 4.388 ( 0.367 0.214 0.136) 0.446 4.444 ( 1.681 2.084 3.169) 4.148 4.504 ( 0.492 -0.995 -0.402) 1.180 4.634 ( 0.686 1.642 -2.228) 2.851 4.843 ( 0.685 -1.773 -3.178) 3.703 4.893 ( 0.429 0.469 -4.473) 4.518 4.933 ( 1.709 -0.247 -1.286) 2.153 5.194 ( 0.042 0.194 0.933) 0.954 5.345 ( 0.449 0.672 3.438) 3.531 5.411 ( -2.013 -2.145 -0.023) 2.941 5.492 ( 1.521 -1.843 -0.845) 2.535 5.708 ( -1.831 1.815 6.165) 6.683 5.878 ( -9.059 2.923 3.365) 10.096 5.955 ( -13.020 7.134 1.461) 14.918 6.102 ( 4.282 5.809 -1.524) 7.376 7.577 ( -0.633 2.240 -0.155) 2.333 7.725 ( -1.904 -0.318 -5.232) 5.577 7.771 ( -6.096 8.278 2.124) 10.497 7.996 ( -4.760 3.515 0.588) 5.946 8.090 ( -6.825 -1.294 1.867) 7.193 8.144 ( -2.994 2.040 -0.497) 3.657 9.015 ( 1.001 1.285 -1.836) 2.454 9.267 ( 2.718 -2.286 1.597) 3.894 9.358 ( 4.927 -2.222 -0.630) 5.441 9.445 ( 1.976 -3.368 -7.015) 8.029 9.724 ( -0.059 -1.256 8.143) 8.240 9.950 ( 2.753 1.286 5.714) 6.472 10.069 ( 1.598 -5.605 -3.392) 6.743 10.180 ( 5.305 -3.340 -1.540) 6.456 10.336 ( 6.878 -1.416 -2.638) 7.501 10.434 ( 4.237 -5.726 0.465) 7.138 12.347 ( 6.232 -1.219 -0.245) 6.355 12.440 ( 4.146 -1.226 0.571) 4.361 12.763 ( 2.570 -2.645 3.350) 4.982 12.851 ( 0.978 -2.369 -6.128) 6.642 12.952 ( -4.295 1.134 0.677) 4.494 12.996 ( -3.765 0.563 -0.077) 3.807 13.198 ( 0.824 0.622 -0.084) 1.036 13.265 ( -1.365 -2.123 -5.942) 6.456 13.502 ( -4.075 5.497 3.243) 7.573 13.646 ( -2.827 2.375 2.593) 4.512 15.139 ( -3.290 4.186 4.722) 7.116 15.358 ( -1.575 1.609 -2.549) 3.401 15.410 ( -0.332 -0.857 0.059) 0.922 15.463 ( 0.448 -1.234 0.097) 1.316 16.263 ( 1.630 -1.339 0.270) 2.127 16.306 ( 1.988 -1.891 -0.404) 2.773 19.892 ( 0.865 0.279 1.427) 1.692 20.099 ( -0.042 -1.712 -1.902) 2.559 20.232 ( 2.410 -3.434 0.321) 4.207 20.379 ( 1.865 0.668 -3.643) 4.147 26.018 ( -0.074 -0.098 0.067) 0.140 26.022 ( 0.072 0.054 -0.094) 0.130 26.311 ( -1.290 2.652 3.151) 4.316 26.422 ( 0.171 0.793 0.438) 0.922 26.553 ( -2.170 -1.707 -7.429) 7.925 26.636 ( 2.434 -0.671 -1.524) 2.950 27.885 ( 3.571 2.338 0.369) 4.284 28.023 ( 4.162 1.505 -1.245) 4.598 28.045 ( 4.569 -1.819 -0.004) 4.918 28.196 ( 0.395 -7.114 0.615) 7.151 28.297 ( 0.794 -4.162 2.908) 5.139 28.491 ( 4.490 -7.695 -9.914) 13.330 30.244 ( -0.263 2.305 1.055) 2.549 30.328 ( -0.055 -0.990 -3.131) 3.284 30.457 ( 6.851 0.876 1.036) 6.984 30.663 ( 5.494 -11.848 0.113) 13.061 31.170 ( -20.616 17.242 29.315) 39.771 31.709 ( -21.148 18.292 -11.629) 30.283 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -1.138 -0.075 1.866) 2.187 1.863 ( 2.319 -7.225 -4.844) 9.003 1.905 ( 4.770 -9.625 10.691) 15.155 2.053 ( 1.615 -0.500 -2.490) 3.010 2.103 ( 4.015 -1.551 0.154) 4.306 2.335 ( 0.747 2.990 -3.208) 4.449 2.426 ( -5.208 1.302 0.434) 5.386 2.449 ( -3.806 5.416 -2.587) 7.107 2.671 ( -2.600 1.502 -0.876) 3.128 2.743 ( -2.476 -1.002 -1.759) 3.198 2.798 ( 2.084 2.676 3.398) 4.801 2.925 ( -0.565 5.293 -5.163) 7.416 3.127 ( 0.817 -2.471 3.675) 4.503 3.339 ( -1.829 -1.511 0.672) 2.465 3.346 ( 1.472 -1.559 6.189) 6.550 3.406 ( 2.827 -0.141 -3.856) 4.783 3.687 ( -0.682 0.413 -8.384) 8.422 3.750 ( 3.637 2.445 3.959) 5.906 3.924 ( 1.727 1.020 -3.145) 3.730 4.060 ( -1.024 1.159 0.729) 1.710 4.303 ( 3.397 2.286 -2.700) 4.905 4.413 ( 0.183 0.927 0.568) 1.102 4.505 ( 0.616 -1.817 3.621) 4.098 4.549 ( 0.952 -8.001 2.947) 8.580 4.586 ( -0.376 -1.089 -5.362) 5.484 4.823 ( -3.841 1.532 -2.387) 4.775 4.900 ( 1.345 -1.459 -1.529) 2.505 4.952 ( 1.662 -0.418 1.033) 2.001 5.151 ( -3.499 3.293 6.697) 8.242 5.286 ( -5.593 3.724 4.681) 8.189 5.424 ( 2.594 -1.287 -3.732) 4.724 5.554 ( 2.312 -1.186 -2.053) 3.312 5.603 ( -1.440 3.203 -5.350) 6.400 5.813 ( -4.069 -1.177 0.395) 4.254 5.920 ( -3.422 -3.075 7.504) 8.802 6.029 ( 2.813 6.300 -0.773) 6.943 7.535 ( 1.415 2.079 -0.612) 2.589 7.625 ( -0.651 3.552 0.529) 3.650 7.741 ( -1.857 -2.918 -0.835) 3.558 7.916 ( -2.822 1.706 0.809) 3.396 8.062 ( -5.090 -1.951 0.515) 5.475 8.091 ( -3.035 0.511 -0.950) 3.222 9.014 ( 1.240 -0.272 -1.146) 1.710 9.319 ( 2.082 -0.577 0.858) 2.325 9.430 ( 3.681 -0.506 2.527) 4.494 9.486 ( 1.494 -3.088 -6.199) 7.085 9.763 ( -0.023 -0.016 6.065) 6.065 9.959 ( 0.451 2.024 3.109) 3.737 10.146 ( -0.691 -4.286 -0.776) 4.410 10.243 ( 5.140 1.341 -3.356) 6.283 10.399 ( 4.026 -0.157 -0.894) 4.127 10.510 ( -0.889 -1.936 -2.057) 2.961 12.416 ( 6.647 1.094 -0.104) 6.737 12.492 ( 4.318 0.961 0.257) 4.431 12.765 ( -0.518 1.059 0.424) 1.253 12.828 ( -2.659 0.872 -1.248) 3.064 12.929 ( -4.246 -1.807 0.572) 4.650 12.995 ( -3.892 -3.906 0.084) 5.514 13.200 ( 0.714 0.338 1.059) 1.321 13.279 ( -0.813 -2.887 -3.758) 4.808 13.404 ( -0.669 3.485 0.010) 3.548 13.598 ( -2.428 1.310 2.974) 4.056 15.061 ( -2.798 3.287 2.784) 5.137 15.332 ( 0.511 -0.014 -2.118) 2.179 15.408 ( -0.273 -0.103 -0.129) 0.319 15.501 ( 0.664 -1.518 0.472) 1.723 16.295 ( 1.017 -0.404 0.291) 1.133 16.348 ( 1.298 -0.962 -0.043) 1.616 19.902 ( 0.404 0.103 2.455) 2.490 20.103 ( -0.582 -0.101 -1.953) 2.040 20.322 ( 2.473 -4.360 -1.962) 5.383 20.353 ( 0.301 2.221 -0.058) 2.242 26.020 ( -0.054 -0.132 -0.032) 0.146 26.021 ( 0.070 0.083 -0.021) 0.110 26.287 ( 1.009 1.599 4.212) 4.617 26.415 ( -1.561 -0.270 1.434) 2.137 26.523 ( -1.132 -0.374 -6.992) 7.093 26.680 ( 1.319 -2.805 -1.822) 3.596 27.883 ( 4.338 2.558 0.275) 5.043 28.023 ( 5.070 3.007 -0.127) 5.896 28.101 ( 1.716 -0.852 -2.069) 2.820 28.276 ( -1.462 -1.536 1.464) 2.577 28.362 ( -1.065 -2.489 3.373) 4.325 28.624 ( 1.449 -9.715 -8.049) 12.699 30.219 ( -0.192 1.482 5.454) 5.655 30.327 ( -0.859 -0.880 -3.393) 3.609 30.500 ( 7.651 3.006 1.077) 8.290 30.851 ( -12.467 11.876 19.809) 26.246 30.961 ( 4.328 -13.633 -1.222) 14.356 31.198 ( -13.970 13.129 -11.927) 22.578 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -5.442 16.806 4.372) 18.198 1.807 ( -3.054 9.879 -3.171) 10.816 2.092 ( 3.550 -1.478 0.947) 3.961 2.192 ( 0.975 0.868 1.231) 1.794 2.278 ( 1.376 -9.591 4.368) 10.628 2.292 ( 0.113 -4.459 -3.566) 5.711 2.400 ( 4.052 -4.355 -0.636) 5.983 2.453 ( 2.492 -7.377 -3.767) 8.650 2.671 ( 0.258 -1.183 -1.137) 1.661 2.740 ( -2.176 -2.713 -2.853) 4.498 2.796 ( 3.292 0.909 2.243) 4.086 2.851 ( 1.473 0.653 -2.563) 3.027 3.183 ( -4.636 8.458 1.139) 9.712 3.225 ( 0.764 5.642 2.946) 6.410 3.319 ( -3.602 -0.074 -0.881) 3.709 3.437 ( 1.772 -1.757 0.371) 2.523 3.596 ( 0.402 3.567 -2.208) 4.214 3.809 ( 0.919 -3.483 3.529) 5.043 3.924 ( 2.096 0.127 -3.166) 3.799 4.027 ( -1.996 1.136 0.373) 2.327 4.284 ( 1.791 1.963 -1.669) 3.138 4.401 ( 0.408 0.172 -3.869) 3.894 4.489 ( -1.006 0.992 1.017) 1.741 4.563 ( -2.253 -1.446 -0.707) 2.769 4.734 ( -3.412 2.818 -1.435) 4.652 4.822 ( 4.491 -11.773 -4.384) 13.341 4.911 ( -0.048 0.557 -0.224) 0.603 5.015 ( 0.737 -5.226 2.104) 5.682 5.111 ( -4.388 0.164 9.997) 10.919 5.247 ( -0.052 -2.719 1.192) 2.969 5.424 ( 0.525 2.490 -1.779) 3.105 5.538 ( 3.539 2.536 -5.022) 6.647 5.576 ( 1.621 1.709 0.319) 2.377 5.788 ( -4.083 0.319 -2.802) 4.963 5.901 ( 0.946 2.608 -0.688) 2.859 6.023 ( -2.148 -1.321 10.154) 10.463 7.562 ( 4.577 -2.446 -0.796) 5.251 7.626 ( 3.150 -1.415 0.048) 3.454 7.781 ( -1.123 -3.933 -0.311) 4.102 7.901 ( -1.044 -1.930 1.215) 2.508 8.052 ( -7.383 -3.370 -0.583) 8.137 8.078 ( 0.886 -1.404 -1.166) 2.029 9.031 ( 1.346 -0.387 -0.359) 1.446 9.335 ( 1.227 0.683 -0.150) 1.413 9.457 ( 1.841 0.772 0.332) 2.024 9.530 ( 2.052 -1.504 -1.938) 3.198 9.755 ( -0.666 3.189 0.165) 3.262 9.911 ( -1.953 3.029 1.584) 3.937 10.199 ( 0.061 1.283 1.577) 2.034 10.207 ( 1.740 2.587 0.111) 3.120 10.391 ( -1.001 2.272 -2.689) 3.660 10.478 ( -1.200 3.465 -0.784) 3.749 12.421 ( 4.280 4.659 0.162) 6.329 12.471 ( 1.606 4.693 0.121) 4.962 12.768 ( -0.930 0.278 0.250) 1.003 12.814 ( 0.909 -2.550 -1.030) 2.896 12.923 ( -3.201 -2.391 0.127) 3.997 13.033 ( -3.989 -4.980 -0.123) 6.382 13.214 ( 0.160 -0.929 -0.020) 0.943 13.292 ( -0.287 -0.155 1.827) 1.856 13.398 ( 2.425 -2.418 -4.606) 5.740 13.587 ( -1.853 -1.200 3.005) 3.729 15.001 ( -2.017 2.418 3.669) 4.835 15.344 ( 1.039 -1.317 -1.602) 2.320 15.416 ( 0.346 -0.955 -0.293) 1.057 15.517 ( -0.056 0.041 -0.187) 0.199 16.294 ( 0.090 1.260 0.376) 1.318 16.355 ( 0.169 0.979 -0.125) 1.001 19.917 ( 0.150 -0.385 2.878) 2.908 20.081 ( -0.253 1.255 -1.524) 1.990 20.294 ( -0.892 2.985 -1.959) 3.680 20.424 ( 2.246 -4.590 -1.330) 5.280 26.019 ( 0.094 0.123 -0.087) 0.177 26.023 ( -0.061 -0.150 0.023) 0.164 26.309 ( 2.832 0.063 3.946) 4.857 26.410 ( -3.102 -1.086 1.608) 3.659 26.494 ( -0.325 0.202 -4.826) 4.842 26.732 ( 0.565 -3.695 -4.560) 5.896 27.885 ( 4.958 2.529 -0.660) 5.605 28.021 ( 5.214 3.876 1.230) 6.612 28.087 ( -2.055 0.412 -3.174) 3.803 28.232 ( -4.626 3.670 3.837) 7.042 28.385 ( -0.568 0.349 2.035) 2.141 28.762 ( 1.035 -8.740 -11.781) 14.705 30.259 ( 0.623 -2.053 16.341) 16.481 30.316 ( -1.546 -0.732 -2.884) 3.353 30.508 ( 6.868 4.965 1.020) 8.535 30.638 ( -8.193 8.715 12.899) 17.591 30.760 ( -9.158 11.614 -9.773) 17.728 31.399 ( 6.754 -23.204 -3.397) 24.405 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.488 20.178 8.508) 21.904 1.479 ( -3.354 22.966 0.318) 23.212 2.078 ( -1.634 5.837 -4.879) 7.781 2.129 ( 1.350 1.673 -5.520) 5.924 2.241 ( -1.331 16.583 8.173) 18.536 2.422 ( -1.470 -12.763 -0.087) 12.847 2.623 ( 2.327 -11.165 0.132) 11.406 2.634 ( 5.890 -8.764 -2.625) 10.881 2.701 ( 0.058 -4.396 -0.719) 4.455 2.792 ( -0.658 -5.783 -2.472) 6.324 2.852 ( 1.159 -3.603 0.257) 3.793 2.870 ( -0.907 -0.133 1.831) 2.048 2.922 ( 2.442 6.143 1.509) 6.781 3.266 ( -4.517 -2.898 -1.413) 5.550 3.299 ( 2.540 0.278 -0.080) 2.557 3.465 ( -0.442 0.212 -0.505) 0.704 3.556 ( 3.543 3.318 1.205) 5.001 3.886 ( -1.896 -5.056 -0.809) 5.460 3.933 ( 1.339 -0.687 -1.418) 2.068 3.995 ( -2.231 -0.102 0.512) 2.292 4.278 ( 2.267 0.436 0.599) 2.385 4.378 ( 0.690 0.698 -5.972) 6.052 4.470 ( -2.808 0.510 0.395) 2.881 4.553 ( -1.782 -0.494 -3.072) 3.586 4.660 ( -1.840 1.414 -2.571) 3.463 4.893 ( 0.105 1.147 -1.113) 1.602 4.948 ( 2.537 -2.868 -5.810) 6.958 5.019 ( -3.671 0.104 -4.052) 5.469 5.231 ( -1.830 -7.533 2.816) 8.248 5.353 ( -2.196 0.966 0.895) 2.561 5.368 ( 4.011 -3.389 2.414) 5.780 5.521 ( 3.603 1.808 -0.798) 4.110 5.560 ( 1.263 3.612 8.484) 9.307 5.735 ( -0.152 -0.480 -3.494) 3.530 5.931 ( 1.114 -5.855 4.910) 7.722 6.048 ( -3.070 -0.324 8.426) 8.973 7.642 ( 5.244 -0.843 -4.062) 6.687 7.747 ( 2.650 -9.308 -0.236) 9.681 7.855 ( 0.893 -5.016 1.883) 5.431 7.969 ( -0.535 -6.067 1.221) 6.212 8.047 ( -4.360 -3.973 -1.089) 5.999 8.127 ( 0.616 -3.764 -0.857) 3.909 9.045 ( 1.232 0.127 -0.180) 1.251 9.318 ( 0.017 1.900 -1.292) 2.298 9.454 ( 1.471 1.004 -1.367) 2.246 9.535 ( -0.049 2.736 -2.384) 3.629 9.619 ( -2.245 7.856 -5.533) 9.868 9.876 ( 0.203 2.026 6.272) 6.595 10.076 ( -2.300 7.819 -0.525) 8.167 10.215 ( -1.899 2.600 2.249) 3.927 10.309 ( -0.279 4.821 -0.837) 4.901 10.379 ( 0.148 6.953 1.221) 7.060 12.358 ( 0.988 5.474 0.476) 5.583 12.395 ( 0.090 4.755 -0.138) 4.758 12.699 ( -1.910 6.230 1.335) 6.652 12.908 ( 4.008 -5.047 -2.449) 6.895 12.968 ( -0.557 -4.850 -0.002) 4.882 13.065 ( -3.606 -2.999 -2.292) 5.220 13.206 ( -0.379 0.732 -3.406) 3.504 13.341 ( 1.689 -3.190 4.362) 5.662 13.452 ( 1.101 -3.512 -4.719) 5.985 13.629 ( -1.157 -4.078 2.907) 5.140 14.983 ( -0.487 0.316 7.294) 7.317 15.382 ( 0.831 -2.777 -0.975) 3.058 15.440 ( 0.868 -1.182 -1.386) 2.018 15.498 ( -0.954 1.185 -0.635) 1.649 16.265 ( -0.282 1.916 0.420) 1.981 16.321 ( -0.377 2.463 -0.577) 2.557 19.929 ( -1.633 -0.299 1.474) 2.221 20.060 ( 2.363 1.764 0.987) 3.110 20.223 ( -1.193 3.086 -2.224) 3.986 20.494 ( 0.554 -3.128 -5.811) 6.623 26.018 ( 0.050 0.034 0.002) 0.061 26.024 ( -0.026 -0.007 -0.052) 0.058 26.358 ( 2.027 -0.936 2.367) 3.254 26.405 ( -3.740 -1.742 1.398) 4.356 26.476 ( 1.429 0.547 -2.626) 3.039 26.774 ( 0.595 -3.498 -8.483) 9.195 27.888 ( 4.331 2.103 -1.367) 5.005 27.974 ( -0.224 4.378 -1.257) 4.560 28.067 ( 2.008 1.372 0.539) 2.491 28.120 ( -6.424 4.333 4.015) 8.727 28.345 ( -0.498 4.834 1.243) 5.016 28.788 ( 0.282 0.204 -21.924) 21.927 30.299 ( -1.870 -0.700 -2.186) 2.960 30.432 ( -0.042 -0.312 12.714) 12.718 30.483 ( 0.573 4.132 3.046) 5.166 30.519 ( -0.647 7.288 -4.026) 8.351 30.538 ( -1.303 -5.737 26.876) 27.512 31.860 ( 5.159 -26.117 -4.436) 26.989 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.146 20.737 13.429) 25.051 1.071 ( -0.380 22.565 11.762) 25.449 1.866 ( 1.133 27.893 25.374) 37.724 1.964 ( 1.091 5.373 -4.743) 7.249 2.057 ( 2.149 5.268 -10.399) 11.853 2.647 ( -1.793 -12.829 -0.499) 12.964 2.746 ( -0.675 -4.465 -0.515) 4.545 2.800 ( -1.197 -7.977 -0.620) 8.090 2.819 ( -0.818 -8.397 0.975) 8.493 2.876 ( -1.654 -4.795 -0.404) 5.088 2.908 ( 1.663 -5.847 -2.790) 6.689 2.931 ( 2.357 -3.832 0.105) 4.500 2.976 ( 0.738 -7.115 -2.224) 7.491 3.240 ( -4.019 -0.788 -1.650) 4.415 3.320 ( 2.862 1.398 -0.250) 3.195 3.419 ( -1.048 2.940 -2.253) 3.849 3.532 ( 3.498 5.491 0.945) 6.579 3.917 ( -3.270 -4.408 -11.267) 12.533 3.965 ( -1.222 -2.802 0.063) 3.058 4.008 ( 1.178 -2.223 -0.283) 2.531 4.299 ( 1.638 0.159 -1.567) 2.272 4.360 ( 2.035 0.938 -1.600) 2.753 4.409 ( -3.250 2.224 -1.392) 4.177 4.529 ( 0.271 0.722 -4.590) 4.655 4.626 ( -0.474 0.855 -3.275) 3.417 4.868 ( 0.753 1.212 -2.657) 3.016 4.919 ( 1.165 5.271 -14.893) 15.841 4.965 ( -1.329 0.952 -4.595) 4.878 5.227 ( -2.532 1.941 -3.801) 4.962 5.317 ( -0.257 2.717 7.877) 8.336 5.399 ( -0.097 1.220 -6.381) 6.497 5.533 ( -1.770 2.049 6.354) 6.907 5.552 ( 1.223 2.124 4.893) 5.473 5.830 ( 5.422 -4.501 8.712) 11.205 6.077 ( -3.003 -5.698 8.104) 10.352 6.250 ( 0.396 -26.634 16.348) 31.254 7.664 ( 3.295 0.710 -5.290) 6.273 7.889 ( -3.265 -8.522 -6.694) 11.318 7.960 ( -4.567 -5.494 5.753) 9.173 8.086 ( 0.979 -8.108 0.693) 8.196 8.139 ( 4.145 -6.775 1.303) 8.049 8.197 ( -0.035 -4.234 -0.451) 4.258 9.048 ( 0.122 0.123 -0.576) 0.602 9.259 ( -1.373 3.384 -2.051) 4.189 9.335 ( -3.500 9.603 -9.587) 14.014 9.459 ( 4.863 2.571 -5.065) 7.477 9.537 ( 0.131 3.196 4.895) 5.848 9.875 ( 3.588 3.990 5.021) 7.349 9.925 ( -5.072 5.327 3.845) 8.300 10.091 ( -0.331 9.575 -0.336) 9.587 10.215 ( 1.742 6.532 0.999) 6.834 10.298 ( -0.382 4.323 0.181) 4.343 12.276 ( -1.169 4.236 0.525) 4.426 12.327 ( 0.967 3.481 -0.505) 3.648 12.554 ( 1.244 10.628 1.903) 10.868 12.946 ( 0.847 6.714 -13.006) 14.661 13.053 ( -0.424 -5.320 -0.236) 5.342 13.060 ( -1.333 -4.238 -0.963) 4.545 13.177 ( 0.810 0.822 -3.194) 3.396 13.424 ( 0.443 -3.412 -2.205) 4.086 13.497 ( -0.140 -2.760 1.934) 3.372 13.709 ( -1.432 -5.204 2.621) 6.000 15.062 ( 0.596 -5.549 13.059) 14.201 15.426 ( -0.755 1.396 -1.093) 1.927 15.445 ( 0.559 -2.847 -0.896) 3.036 15.487 ( -0.392 -1.500 -1.447) 2.121 16.238 ( -0.177 1.086 0.230) 1.124 16.272 ( 0.021 2.515 -0.885) 2.666 19.903 ( -2.989 0.530 -0.289) 3.049 20.080 ( 4.858 1.465 3.673) 6.264 20.155 ( -0.877 2.590 -3.305) 4.290 20.461 ( -1.197 3.418 -12.949) 13.446 26.018 ( 0.006 -0.044 0.036) 0.057 26.022 ( 0.001 0.101 -0.054) 0.114 26.373 ( -1.108 -0.275 0.494) 1.244 26.419 ( -2.878 -2.859 0.267) 4.066 26.491 ( 4.101 0.452 0.167) 4.130 26.778 ( 0.523 -0.333 -12.707) 12.722 27.877 ( -0.534 1.633 -1.020) 1.998 27.902 ( 2.003 3.017 -1.979) 4.128 27.997 ( -4.225 3.686 2.795) 6.265 28.085 ( 3.861 2.089 1.539) 4.652 28.232 ( -1.129 7.551 0.404) 7.646 28.567 ( 0.947 15.073 -25.945) 30.021 30.287 ( -1.520 -0.759 -1.295) 2.137 30.368 ( -1.172 2.809 -1.500) 3.394 30.391 ( -2.409 3.210 1.347) 4.233 30.442 ( 4.446 6.192 0.389) 7.633 31.100 ( -0.722 -35.726 55.437) 65.955 32.296 ( 0.121 -23.773 -3.904) 24.092 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 14.159 0.000 18.977) 23.677 1.407 ( 14.116 0.000 14.676) 20.363 1.831 ( 0.227 0.000 -24.716) 24.717 1.892 ( 8.398 0.000 -15.309) 17.461 2.479 ( -18.280 -0.000 -0.513) 18.287 2.482 ( 3.570 0.000 10.631) 11.214 2.634 ( -5.366 -0.000 0.099) 5.367 2.667 ( -4.240 -0.000 8.526) 9.522 2.828 ( -1.330 -0.000 3.831) 4.055 2.837 ( -5.915 -0.000 -0.936) 5.988 2.920 ( -4.131 -0.000 -0.030) 4.131 2.955 ( -9.161 -0.000 0.213) 9.164 3.006 ( 4.896 0.000 11.499) 12.498 3.187 ( -5.520 -0.000 -2.247) 5.960 3.269 ( 4.042 0.000 -6.832) 7.938 3.449 ( 2.844 0.000 2.878) 4.046 3.582 ( 7.813 0.000 3.174) 8.433 3.588 ( 7.248 0.000 -21.370) 22.565 3.995 ( -1.492 -0.000 -0.261) 1.515 4.048 ( -1.729 -0.000 1.615) 2.366 4.161 ( 0.331 0.000 -0.623) 0.705 4.424 ( 1.526 0.000 3.457) 3.779 4.450 ( 2.090 0.000 -4.354) 4.829 4.537 ( 2.862 0.000 -0.982) 3.026 4.642 ( 3.434 0.000 1.308) 3.675 4.829 ( 0.131 0.000 -0.509) 0.526 4.913 ( 4.787 0.000 -9.292) 10.452 4.931 ( 2.587 0.000 -0.856) 2.724 5.178 ( -1.408 -0.000 -0.376) 1.458 5.250 ( 1.438 0.000 1.190) 1.866 5.398 ( 4.325 0.000 -0.384) 4.342 5.456 ( -1.355 -0.000 -0.884) 1.618 5.709 ( 3.388 0.000 8.631) 9.272 6.040 ( -20.857 -0.000 11.005) 23.582 6.054 ( -2.737 -0.000 -5.714) 6.336 6.325 ( -19.768 -0.000 1.586) 19.831 7.583 ( -0.771 -0.000 0.303) 0.829 7.699 ( -7.637 -0.000 -6.814) 10.236 7.984 ( -6.642 -0.000 -1.290) 6.766 8.025 ( -8.129 -0.000 1.411) 8.251 8.145 ( -4.377 -0.000 2.407) 4.995 8.181 ( -4.092 -0.000 -0.157) 4.095 9.113 ( 0.687 0.000 1.203) 1.385 9.155 ( 3.777 0.000 -0.364) 3.795 9.317 ( 6.299 0.000 -4.149) 7.543 9.355 ( 3.583 0.000 -3.965) 5.344 9.694 ( 0.276 0.000 9.170) 9.174 9.914 ( 1.815 0.000 -2.321) 2.946 10.039 ( 6.098 0.000 -1.621) 6.310 10.073 ( 6.844 0.000 3.550) 7.710 10.309 ( 7.200 0.000 -4.423) 8.450 10.312 ( 11.145 0.000 4.253) 11.929 12.346 ( 3.107 0.000 0.784) 3.205 12.360 ( 3.869 0.000 -0.961) 3.986 12.670 ( 10.139 0.000 5.308) 11.444 12.753 ( 9.759 0.000 -9.576) 13.673 13.012 ( -5.688 -0.000 0.107) 5.689 13.051 ( -4.481 -0.000 0.000) 4.481 13.211 ( -2.166 -0.000 -9.247) 9.497 13.220 ( 1.601 0.000 2.050) 2.601 13.630 ( -5.462 -0.000 7.593) 9.353 13.677 ( -4.425 -0.000 -1.394) 4.639 15.263 ( -4.057 -0.000 7.639) 8.649 15.330 ( -0.655 -0.000 -2.250) 2.344 15.404 ( -3.335 -0.000 -0.748) 3.418 15.463 ( -1.445 -0.000 -1.104) 1.818 16.239 ( 1.747 0.000 0.136) 1.753 16.266 ( 2.078 0.000 -0.534) 2.146 19.903 ( 1.330 0.000 -0.039) 1.331 20.037 ( 2.200 0.000 -1.643) 2.746 20.185 ( 2.588 0.000 1.393) 2.939 20.371 ( 4.012 0.000 -4.895) 6.329 26.018 ( -0.013 -0.000 0.004) 0.013 26.021 ( 0.048 0.000 0.011) 0.049 26.351 ( -3.659 -0.000 1.859) 4.105 26.482 ( 2.307 0.000 -3.877) 4.511 26.486 ( -1.593 -0.000 -2.543) 3.001 26.652 ( 2.585 0.000 -2.441) 3.556 27.934 ( 1.939 0.000 -0.261) 1.957 27.966 ( 1.931 0.000 -0.263) 1.948 28.010 ( 5.112 0.000 0.697) 5.159 28.056 ( 1.216 0.000 1.512) 1.941 28.265 ( 5.918 0.000 1.216) 6.042 28.319 ( 11.960 0.000 -9.552) 15.306 30.312 ( 1.303 0.000 -4.366) 4.557 30.324 ( 0.915 0.000 0.176) 0.931 30.388 ( 2.299 0.000 0.031) 2.300 30.507 ( 8.731 0.000 2.577) 9.103 31.544 ( -34.591 -0.000 30.847) 46.347 32.061 ( -28.252 -0.000 -9.680) 29.864 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 11.930 -1.743 9.678) 15.461 1.665 ( 12.819 -6.377 11.475) 18.349 1.763 ( -0.295 -4.230 -18.100) 18.590 1.942 ( 9.252 -1.442 -10.909) 14.377 2.258 ( -15.989 4.746 -1.014) 16.709 2.442 ( -5.279 2.138 -3.100) 6.484 2.560 ( -4.045 3.951 2.829) 6.323 2.621 ( -6.843 3.869 3.530) 8.617 2.767 ( -4.316 1.769 0.799) 4.732 2.821 ( -7.344 3.739 -1.778) 8.431 2.847 ( 0.814 0.629 4.586) 4.700 2.920 ( 0.373 -2.188 4.191) 4.743 3.143 ( -3.386 -2.128 0.881) 4.095 3.183 ( 2.690 -5.108 9.186) 10.849 3.278 ( 3.449 -0.023 -4.203) 5.437 3.457 ( 3.817 2.856 -2.051) 5.190 3.612 ( 6.393 -2.389 -14.525) 16.049 3.720 ( 9.297 -3.567 7.035) 12.192 3.965 ( -0.515 1.454 -1.058) 1.871 4.048 ( -2.001 -1.449 1.283) 2.784 4.201 ( 0.529 -4.170 -0.322) 4.216 4.421 ( -0.290 1.763 1.107) 2.102 4.469 ( -0.515 -2.072 0.225) 2.147 4.546 ( 3.651 3.127 1.105) 4.933 4.675 ( 2.627 1.460 0.319) 3.023 4.818 ( -1.115 0.212 -1.142) 1.610 4.884 ( -0.031 1.105 -6.466) 6.559 4.949 ( 1.657 0.125 0.119) 1.666 5.186 ( 0.438 -1.182 1.690) 2.108 5.306 ( -3.261 -4.259 1.326) 5.525 5.418 ( 5.466 1.559 -2.122) 6.067 5.472 ( 1.016 -1.890 -1.191) 2.454 5.758 ( 0.011 1.336 5.821) 5.972 5.845 ( -13.757 4.398 5.771) 15.553 5.894 ( -15.285 2.806 -3.437) 15.916 6.208 ( 2.184 3.356 -2.938) 4.966 7.583 ( -1.236 -0.360 0.254) 1.312 7.632 ( -5.929 -3.092 -4.451) 8.033 7.854 ( -5.558 6.879 0.740) 8.874 7.972 ( -5.673 -0.387 0.119) 5.687 8.059 ( -4.621 4.278 2.731) 6.864 8.142 ( -3.174 0.825 -0.913) 3.405 9.068 ( 1.302 3.749 0.358) 3.985 9.255 ( 3.281 -4.267 1.171) 5.508 9.370 ( 4.993 -1.580 -2.334) 5.734 9.397 ( 2.792 -1.890 -2.521) 4.210 9.728 ( -0.817 -0.387 8.092) 8.143 9.967 ( 0.844 -5.027 -3.260) 6.051 10.054 ( 5.287 3.251 1.287) 6.339 10.180 ( 5.648 -3.363 1.022) 6.652 10.376 ( 7.250 -1.632 -4.572) 8.725 10.433 ( 7.372 -0.843 1.406) 7.552 12.385 ( 5.553 -1.443 0.071) 5.738 12.438 ( 3.277 -3.578 -0.130) 4.854 12.770 ( 3.583 -1.046 2.764) 4.644 12.812 ( 2.479 -1.998 -3.909) 5.042 12.937 ( -4.620 2.625 -0.042) 5.314 12.988 ( -3.801 2.514 0.060) 4.558 13.179 ( -0.377 -1.575 -6.601) 6.796 13.241 ( 1.163 0.499 1.831) 2.226 13.552 ( -5.261 4.089 3.236) 7.407 13.638 ( -4.297 0.212 0.812) 4.378 15.197 ( -2.921 4.510 3.186) 6.247 15.338 ( -1.560 -1.247 -3.360) 3.909 15.393 ( -0.159 -1.047 1.978) 2.244 15.448 ( -0.834 -0.264 -0.197) 0.897 16.266 ( 2.186 -0.738 0.347) 2.333 16.297 ( 2.236 -1.346 -0.457) 2.650 19.913 ( 1.224 0.440 0.981) 1.629 20.067 ( 0.720 -1.703 -0.399) 1.892 20.224 ( 2.876 -1.062 0.688) 3.142 20.386 ( 1.653 -0.154 -3.476) 3.852 26.017 ( -0.037 0.053 0.052) 0.083 26.022 ( 0.078 -0.051 -0.045) 0.104 26.328 ( -2.989 -0.091 3.131) 4.330 26.441 ( -0.120 2.115 -1.406) 2.543 26.500 ( 0.810 -0.923 -5.016) 5.164 26.658 ( 2.170 0.969 -0.767) 2.498 27.966 ( 2.803 0.930 0.810) 3.062 27.990 ( 2.514 -3.027 -1.198) 4.113 28.073 ( 0.739 -2.789 2.428) 3.771 28.142 ( 5.135 -5.000 1.398) 7.302 28.274 ( 4.381 2.712 -2.232) 5.616 28.428 ( 5.788 -3.196 -5.010) 8.295 30.292 ( 0.357 2.923 1.207) 3.183 30.308 ( 1.366 -0.226 -5.820) 5.983 30.487 ( 3.571 -6.715 -0.222) 7.609 30.617 ( 10.856 -0.484 2.658) 11.188 31.269 ( -26.551 8.921 26.123) 38.300 31.659 ( -26.815 9.218 -13.489) 31.400 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 8.090 -8.055 -4.829) 12.395 1.833 ( 4.585 -5.690 5.705) 9.271 1.874 ( -0.803 -2.357 5.148) 5.719 2.013 ( 4.088 -2.424 -1.064) 4.870 2.104 ( -1.739 -0.778 -0.921) 2.116 2.349 ( -2.798 1.847 -4.188) 5.364 2.450 ( -3.874 4.547 0.863) 6.035 2.501 ( -2.644 5.198 0.429) 5.848 2.681 ( -4.891 2.630 -0.432) 5.570 2.707 ( -3.810 1.615 -1.103) 4.283 2.859 ( 1.014 0.402 1.906) 2.196 2.978 ( 3.154 1.616 0.790) 3.630 3.090 ( -6.303 -0.962 -0.677) 6.412 3.290 ( -0.734 -1.792 1.529) 2.467 3.344 ( 1.680 -3.365 6.881) 7.842 3.441 ( 4.497 1.674 -4.316) 6.454 3.652 ( 4.926 -1.508 -10.690) 11.866 3.869 ( 7.793 0.939 3.717) 8.685 3.943 ( 0.976 0.591 -1.860) 2.182 4.053 ( -2.381 -0.477 0.026) 2.428 4.315 ( 1.943 -7.673 -0.550) 7.934 4.404 ( 0.690 -0.996 1.267) 1.753 4.484 ( -1.562 3.705 2.531) 4.751 4.504 ( 0.670 0.766 0.860) 1.332 4.616 ( -0.047 4.744 -2.394) 5.314 4.800 ( -2.872 0.607 0.055) 2.936 4.873 ( 0.666 -1.694 -2.661) 3.224 4.966 ( 1.285 -0.246 1.715) 2.157 5.180 ( -6.115 1.779 6.473) 9.081 5.286 ( -5.624 1.292 0.938) 5.846 5.441 ( 4.384 0.332 -1.917) 4.796 5.537 ( 3.452 -3.013 -1.979) 4.991 5.621 ( -3.316 3.983 -3.573) 6.295 5.756 ( -4.689 -0.636 1.199) 4.882 5.855 ( -3.103 -3.284 5.404) 7.044 6.153 ( 2.991 5.343 -4.462) 7.576 7.573 ( 0.785 0.215 -1.844) 2.015 7.642 ( -2.960 -3.540 -3.088) 5.553 7.706 ( -2.157 5.566 3.001) 6.681 7.919 ( -3.076 1.643 0.494) 3.522 7.965 ( -7.062 1.008 2.450) 7.543 8.094 ( -1.409 1.307 -1.725) 2.582 9.042 ( 1.958 1.480 1.205) 2.734 9.335 ( 2.338 -1.306 1.167) 2.921 9.424 ( 1.337 -2.449 -6.142) 6.746 9.461 ( 3.885 -1.941 4.636) 6.352 9.757 ( -1.836 -1.270 6.200) 6.589 9.992 ( -0.707 0.472 -7.862) 7.908 10.099 ( 3.004 -2.009 9.102) 9.793 10.285 ( 5.654 -2.251 -3.404) 6.973 10.451 ( 5.599 -1.099 -2.003) 6.047 10.468 ( 0.789 0.927 -2.830) 3.081 12.489 ( 8.180 -2.356 -0.160) 8.514 12.537 ( 5.466 -2.903 0.125) 6.191 12.779 ( -3.429 0.809 0.181) 3.527 12.810 ( -1.655 2.038 -0.512) 2.675 12.864 ( -4.774 -0.313 0.190) 4.789 12.912 ( -3.945 1.121 0.241) 4.108 13.204 ( 1.078 -3.250 -3.824) 5.133 13.235 ( 0.620 1.748 1.393) 2.319 13.454 ( -2.607 3.550 0.974) 4.511 13.588 ( -4.343 0.867 0.851) 4.509 15.111 ( -1.922 4.032 2.393) 5.068 15.327 ( 0.337 -0.081 -2.528) 2.552 15.407 ( -0.011 0.027 0.359) 0.360 15.470 ( -0.394 -2.434 0.747) 2.577 16.300 ( 1.585 -0.704 0.395) 1.778 16.341 ( 1.613 -1.467 -0.214) 2.190 19.920 ( 0.618 0.492 1.829) 1.992 20.092 ( 0.047 -0.772 0.459) 0.900 20.280 ( 2.235 -2.558 -1.327) 3.646 20.379 ( 0.458 0.874 -1.393) 1.707 26.017 ( -0.079 -0.074 0.075) 0.132 26.023 ( 0.107 0.061 -0.093) 0.154 26.325 ( -1.624 -0.611 3.880) 4.251 26.400 ( -0.773 1.828 0.092) 1.987 26.495 ( 0.882 -0.161 -5.226) 5.303 26.665 ( 1.726 0.079 -0.537) 1.809 27.982 ( 5.179 2.255 1.439) 5.829 28.045 ( 1.040 -1.725 -1.650) 2.604 28.157 ( 1.702 -2.690 4.370) 5.406 28.245 ( 4.350 2.289 -4.895) 6.937 28.299 ( 1.041 -6.876 3.219) 7.663 28.482 ( -0.250 -3.079 -4.029) 5.077 30.264 ( 0.121 1.686 4.351) 4.668 30.298 ( 0.704 -0.233 -6.435) 6.478 30.633 ( 8.652 -1.813 0.490) 8.854 30.771 ( 7.270 -7.993 0.451) 10.814 30.978 ( -18.458 9.951 19.682) 28.759 31.195 ( -19.952 11.263 -14.568) 27.151 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.009 7.898 6.173) 10.796 1.844 ( 0.600 -2.182 -0.437) 2.305 2.067 ( 1.383 -9.187 -0.979) 9.342 2.099 ( 1.727 -3.824 2.088) 4.686 2.200 ( 3.305 -6.339 3.347) 7.893 2.279 ( -2.277 3.191 -3.126) 5.014 2.369 ( -0.837 -0.819 -2.049) 2.360 2.425 ( 2.833 3.149 -0.650) 4.286 2.652 ( -1.389 -2.133 1.141) 2.789 2.671 ( -0.325 -0.773 -1.623) 1.827 2.852 ( -1.434 1.550 -4.376) 4.859 2.915 ( 4.024 5.245 2.398) 7.032 3.104 ( -4.507 -4.858 -0.277) 6.632 3.301 ( -0.116 0.085 0.527) 0.546 3.398 ( -0.825 2.916 -1.682) 3.466 3.426 ( 1.080 1.128 4.313) 4.587 3.672 ( 5.236 1.676 -4.499) 7.104 3.841 ( 0.935 5.605 -0.826) 5.742 3.943 ( 2.493 0.503 -1.903) 3.176 4.022 ( -2.593 0.587 0.015) 2.658 4.351 ( 1.137 2.906 -0.425) 3.149 4.414 ( 2.375 3.185 -0.318) 3.986 4.505 ( -1.908 0.066 1.996) 2.762 4.532 ( -0.525 -1.364 -3.958) 4.219 4.606 ( 2.623 -11.566 0.548) 11.872 4.741 ( -3.143 2.407 -0.414) 3.980 4.897 ( -0.917 -1.229 0.191) 1.545 4.993 ( 0.436 -0.193 2.389) 2.436 5.099 ( -7.135 0.832 4.712) 8.591 5.218 ( -1.932 0.629 1.507) 2.529 5.478 ( 4.027 0.710 0.671) 4.144 5.583 ( 3.910 0.581 -4.210) 5.775 5.596 ( 2.074 -1.011 -1.956) 3.025 5.737 ( -3.658 -0.602 -0.100) 3.709 5.901 ( -2.778 -2.478 3.507) 5.115 6.070 ( 0.771 4.535 0.644) 4.645 7.575 ( 1.832 0.508 -0.403) 1.944 7.649 ( 3.276 -0.336 -1.625) 3.672 7.700 ( -0.386 -3.840 -0.502) 3.892 7.871 ( -3.988 0.219 1.428) 4.242 7.916 ( -6.144 -2.195 1.060) 6.610 8.067 ( 0.002 0.107 -2.128) 2.131 9.057 ( 2.283 0.503 2.540) 3.452 9.357 ( 0.511 0.489 0.540) 0.890 9.441 ( 0.444 -1.556 -5.680) 5.906 9.546 ( 2.953 -1.257 5.497) 6.365 9.771 ( -1.370 0.207 0.183) 1.398 9.922 ( -3.954 1.793 -1.658) 4.647 10.205 ( 2.709 -2.273 9.109) 9.771 10.310 ( 5.353 3.024 -7.614) 9.787 10.399 ( -3.238 3.287 -4.538) 6.472 10.507 ( 2.416 -0.463 1.380) 2.821 12.568 ( 8.065 5.072 0.109) 9.528 12.587 ( 4.176 5.112 0.159) 6.603 12.727 ( -5.115 -2.645 -0.206) 5.762 12.779 ( 0.698 -2.253 -0.281) 2.376 12.848 ( -3.883 -2.589 0.193) 4.671 12.894 ( -5.070 -3.715 0.028) 6.285 13.215 ( -0.304 0.758 0.236) 0.851 13.268 ( 1.838 -2.814 0.717) 3.437 13.400 ( 0.731 1.362 -2.545) 2.978 13.544 ( -4.248 -0.603 0.630) 4.337 15.049 ( -1.006 3.070 3.891) 5.057 15.330 ( 0.833 -0.590 -2.035) 2.276 15.410 ( 0.346 -0.206 0.294) 0.499 15.501 ( -0.604 -1.469 -0.553) 1.682 16.315 ( 0.575 0.488 0.530) 0.922 16.365 ( 0.460 -0.139 -0.274) 0.553 19.923 ( -0.365 0.243 2.096) 2.141 20.102 ( 1.111 0.379 1.232) 1.702 20.305 ( -0.593 0.338 -4.428) 4.481 20.384 ( 1.377 -1.567 0.510) 2.148 26.019 ( -0.059 -0.190 0.034) 0.202 26.022 ( 0.089 0.145 -0.075) 0.186 26.340 ( -3.192 -1.834 1.867) 4.127 26.374 ( 1.140 1.689 2.925) 3.565 26.488 ( 1.553 -0.035 -4.350) 4.619 26.681 ( 0.894 -1.081 -2.520) 2.884 27.995 ( 6.363 3.511 0.093) 7.268 28.057 ( -1.631 -0.304 -0.648) 1.781 28.159 ( 3.181 4.656 2.007) 5.986 28.242 ( -2.776 -0.030 -0.569) 2.834 28.386 ( 1.387 0.093 4.841) 5.036 28.565 ( -0.023 -10.253 -8.039) 13.029 30.276 ( -0.402 -0.599 -2.901) 2.989 30.293 ( 0.305 -1.082 8.448) 8.522 30.680 ( 4.493 5.825 -0.263) 7.361 30.739 ( -10.433 8.230 12.337) 18.132 30.811 ( -5.644 9.446 -8.639) 13.990 31.067 ( 2.136 -18.798 -3.953) 19.328 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.401 13.995 8.548) 16.404 1.789 ( 1.200 13.307 0.701) 13.379 2.076 ( -3.104 -4.646 -4.930) 7.452 2.148 ( -0.301 4.836 -5.507) 7.335 2.214 ( -4.058 -5.033 -1.466) 6.629 2.345 ( 2.284 -5.174 1.470) 5.844 2.460 ( 0.017 -6.196 0.584) 6.224 2.512 ( 2.499 -9.902 -0.670) 10.235 2.680 ( 1.822 -2.245 -4.033) 4.963 2.700 ( -0.267 -1.679 1.046) 1.997 2.812 ( -0.454 -1.373 -0.697) 1.605 2.923 ( 3.947 1.661 1.721) 4.615 3.129 ( -5.016 -3.369 -0.125) 6.044 3.168 ( -2.083 15.579 2.683) 15.945 3.331 ( 3.249 0.565 -0.295) 3.311 3.455 ( -0.719 -0.702 1.057) 1.459 3.668 ( 5.916 4.243 2.080) 7.571 3.797 ( -3.995 -2.641 -0.490) 4.814 3.951 ( 1.834 0.985 -0.992) 2.306 3.990 ( -0.320 0.869 -0.592) 1.099 4.326 ( 1.381 -0.177 -0.692) 1.555 4.384 ( 2.561 4.103 -0.796) 4.901 4.477 ( -2.256 1.201 -0.051) 2.556 4.524 ( 1.126 0.184 -2.580) 2.821 4.670 ( -1.671 2.339 -0.883) 3.007 4.830 ( 1.551 -10.924 -7.433) 13.304 4.895 ( -1.239 0.031 -0.755) 1.451 4.972 ( -2.285 0.087 -3.468) 4.154 5.116 ( -3.031 -4.895 8.223) 10.038 5.253 ( -1.516 -4.591 3.956) 6.247 5.474 ( 3.482 4.063 -0.019) 5.351 5.590 ( 4.272 1.831 -1.765) 4.971 5.625 ( 0.954 0.298 1.691) 1.964 5.702 ( -1.730 -0.951 -2.251) 2.994 5.902 ( -0.831 0.344 2.567) 2.720 6.047 ( -2.677 -0.083 6.738) 7.250 7.604 ( -1.499 -3.824 -1.421) 4.346 7.693 ( 4.150 -0.933 -1.662) 4.567 7.781 ( -0.811 -4.133 0.530) 4.245 7.866 ( -2.066 -4.724 -0.450) 5.175 7.941 ( -0.139 -4.477 1.243) 4.649 8.076 ( 0.271 -2.026 -1.962) 2.833 9.077 ( 1.685 0.990 2.943) 3.532 9.338 ( -1.212 1.399 -0.219) 1.864 9.439 ( -0.055 -0.469 -6.619) 6.636 9.588 ( 1.382 1.247 3.381) 3.860 9.690 ( -1.172 5.242 -7.092) 8.896 9.890 ( -4.078 -0.815 8.579) 9.534 10.210 ( 3.299 7.592 -7.144) 10.934 10.255 ( -2.280 3.734 1.579) 4.651 10.345 ( 2.183 -0.742 1.407) 2.701 10.502 ( 1.473 4.458 1.931) 5.077 12.470 ( -1.879 7.183 0.422) 7.437 12.500 ( 1.383 6.968 -0.168) 7.106 12.751 ( 0.285 0.004 1.398) 1.426 12.867 ( 3.767 -3.580 -0.696) 5.244 12.890 ( 1.417 -4.216 -0.742) 4.510 12.932 ( -4.809 -6.355 -1.125) 8.048 13.200 ( -0.744 0.491 -0.680) 1.121 13.332 ( 0.976 -1.972 4.634) 5.130 13.403 ( 2.205 -1.559 -5.510) 6.136 13.544 ( -3.419 -3.728 0.503) 5.084 15.023 ( -0.173 1.514 6.268) 6.451 15.346 ( 0.468 -1.495 -1.768) 2.362 15.425 ( 0.591 -0.919 -0.058) 1.094 15.499 ( -0.849 0.304 -1.614) 1.849 16.299 ( -0.026 1.806 0.686) 1.932 16.352 ( -0.145 1.542 -0.577) 1.653 19.915 ( -1.956 0.354 1.527) 2.506 20.122 ( 3.574 0.701 2.809) 4.600 20.251 ( -1.056 2.538 -3.917) 4.785 20.427 ( -0.123 -2.530 -3.022) 3.944 26.020 ( 0.059 0.134 -0.007) 0.146 26.021 ( -0.028 -0.157 -0.049) 0.166 26.330 ( -4.991 -1.922 0.440) 5.366 26.382 ( 0.930 0.839 2.357) 2.669 26.506 ( 4.640 -0.026 -1.430) 4.855 26.698 ( 0.360 -2.249 -5.934) 6.356 27.970 ( -0.673 3.518 -1.316) 3.816 28.016 ( 2.178 3.013 -2.172) 4.306 28.148 ( -5.251 4.388 4.256) 8.059 28.159 ( 4.170 2.811 2.397) 5.571 28.395 ( -0.521 1.359 1.877) 2.375 28.684 ( 2.636 -5.474 -12.797) 14.166 30.259 ( -1.199 -0.811 -4.565) 4.789 30.425 ( -0.553 -6.561 20.846) 21.862 30.521 ( -5.254 5.068 -6.018) 9.461 30.567 ( -7.506 4.683 9.581) 13.041 30.715 ( 10.596 9.504 0.908) 14.263 31.431 ( 0.064 -24.722 -5.855) 25.406 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.962 16.843 12.311) 21.236 1.504 ( 3.792 21.339 5.201) 22.289 2.021 ( 2.397 6.272 -9.106) 11.314 2.067 ( -0.297 1.697 -12.456) 12.574 2.318 ( -0.888 -3.310 10.359) 10.911 2.404 ( -1.681 -4.523 -0.539) 4.855 2.581 ( -5.760 -10.586 -0.396) 12.058 2.655 ( -1.154 -6.142 -2.078) 6.586 2.732 ( 2.387 -3.029 0.947) 3.972 2.763 ( -0.671 -4.345 1.035) 4.516 2.839 ( -1.582 -2.560 -1.568) 3.394 2.904 ( 2.767 3.318 3.022) 5.273 2.986 ( 2.046 4.528 2.712) 5.661 3.143 ( -5.188 -4.167 -1.026) 6.732 3.358 ( 2.765 0.211 -0.727) 2.866 3.436 ( -1.019 1.362 -1.802) 2.478 3.654 ( 3.279 4.238 1.624) 5.599 3.815 ( -1.709 -2.574 -3.726) 4.840 3.930 ( -0.477 0.469 -2.379) 2.471 4.006 ( 2.883 -0.838 0.605) 3.063 4.315 ( -0.997 2.286 -3.622) 4.397 4.382 ( 3.228 -0.437 5.125) 6.073 4.430 ( -0.921 1.632 -2.280) 2.952 4.516 ( 0.378 0.360 -4.239) 4.271 4.631 ( 0.354 1.062 -1.322) 1.733 4.873 ( -0.737 0.424 -2.373) 2.521 4.913 ( 2.086 -1.308 -10.662) 10.942 4.950 ( 0.233 -0.532 -4.453) 4.491 5.189 ( -2.956 -3.067 2.108) 4.752 5.329 ( -3.425 -3.662 6.769) 8.423 5.434 ( 2.619 3.239 -2.761) 4.997 5.557 ( -1.373 3.993 0.492) 4.251 5.632 ( 1.874 -0.229 5.567) 5.879 5.795 ( 3.514 -6.662 5.178) 9.140 5.951 ( -2.480 -8.874 3.877) 9.996 6.044 ( -3.708 -0.442 6.529) 7.521 7.636 ( -3.659 -3.592 -3.579) 6.253 7.746 ( 2.186 -2.673 -3.211) 4.715 7.809 ( -8.306 -5.989 2.611) 10.568 7.970 ( 0.096 -6.466 1.547) 6.649 8.079 ( 6.098 -6.693 -0.094) 9.055 8.121 ( -0.233 -3.835 -1.213) 4.029 9.069 ( -0.335 1.958 1.254) 2.349 9.287 ( -1.913 2.589 -0.506) 3.258 9.382 ( -0.567 3.362 -9.102) 9.720 9.541 ( 2.851 4.484 -7.637) 9.303 9.613 ( 0.140 2.582 6.502) 6.997 9.906 ( -3.702 -0.617 9.983) 10.665 10.067 ( 3.305 9.059 -3.215) 10.165 10.181 ( 0.857 3.465 -3.721) 5.156 10.368 ( 1.780 2.903 1.862) 3.881 10.407 ( 2.535 9.223 2.200) 9.815 12.344 ( -2.078 5.271 0.068) 5.666 12.409 ( 0.982 4.859 0.255) 4.963 12.725 ( 2.168 5.158 2.384) 6.081 12.954 ( -0.101 -4.828 0.262) 4.836 12.958 ( -3.097 -2.465 -3.416) 5.228 12.982 ( 4.127 -2.379 -3.522) 5.924 13.182 ( -0.130 0.408 -0.880) 0.979 13.375 ( 0.197 -1.294 -3.009) 3.281 13.448 ( -0.363 -3.783 2.804) 4.723 13.602 ( -2.099 -5.685 0.713) 6.102 15.051 ( -0.025 -1.630 8.948) 9.095 15.376 ( -0.489 -2.781 -1.405) 3.154 15.447 ( 0.563 -1.217 -0.890) 1.609 15.466 ( -0.785 1.755 -1.972) 2.754 16.267 ( 0.065 2.113 0.557) 2.186 16.314 ( 0.300 2.460 -0.803) 2.605 19.889 ( -2.156 0.645 1.189) 2.545 20.164 ( 4.670 1.010 2.866) 5.572 20.182 ( -0.703 2.802 -2.524) 3.836 20.427 ( -1.192 -0.537 -7.644) 7.755 26.019 ( 0.039 0.061 0.053) 0.090 26.022 ( -0.024 -0.028 -0.103) 0.109 26.322 ( -4.456 -2.520 0.729) 5.171 26.383 ( 0.338 -0.014 0.705) 0.782 26.549 ( 5.190 0.954 0.506) 5.302 26.711 ( 0.067 -2.171 -9.636) 9.878 27.886 ( -3.331 2.120 -1.417) 4.196 27.984 ( 2.838 4.094 -2.197) 5.445 28.027 ( -3.158 3.547 2.571) 5.401 28.190 ( 5.637 2.469 4.394) 7.562 28.332 ( -1.461 5.486 0.584) 5.707 28.663 ( 3.564 4.706 -17.521) 18.489 30.249 ( -1.352 -1.236 -2.636) 3.210 30.396 ( -1.270 2.771 -2.817) 4.151 30.426 ( -3.944 3.598 2.338) 5.828 30.644 ( 8.442 10.331 0.946) 13.375 30.793 ( -4.339 -20.212 36.968) 42.356 31.817 ( -5.101 -26.601 -7.030) 27.984 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 3.966 0.000 -17.904) 18.338 1.713 ( 12.727 0.000 5.723) 13.954 1.771 ( 12.769 0.000 10.309) 16.412 1.995 ( 7.283 0.000 -1.081) 7.363 2.145 ( -15.019 -0.000 -1.034) 15.055 2.384 ( -4.897 -0.000 -6.129) 7.845 2.581 ( -3.296 -0.000 3.882) 5.092 2.597 ( -6.715 -0.000 0.962) 6.783 2.721 ( -6.235 -0.000 -0.975) 6.311 2.766 ( -7.654 -0.000 -3.802) 8.546 2.884 ( -1.047 -0.000 1.036) 1.473 2.931 ( 3.668 0.000 10.758) 11.366 3.036 ( -7.029 -0.000 -2.473) 7.452 3.223 ( 2.490 0.000 10.155) 10.456 3.301 ( 4.785 0.000 -6.597) 8.150 3.503 ( 1.257 0.000 0.215) 1.275 3.606 ( 8.772 0.000 -15.409) 17.731 3.816 ( 8.445 0.000 7.748) 11.461 3.963 ( -1.268 -0.000 -0.504) 1.365 4.018 ( -3.719 -0.000 0.859) 3.817 4.175 ( 0.440 0.000 2.100) 2.146 4.413 ( 0.664 0.000 -2.138) 2.239 4.472 ( -1.458 -0.000 8.336) 8.463 4.608 ( 3.427 0.000 -0.328) 3.442 4.726 ( 3.788 0.000 1.599) 4.111 4.803 ( -2.913 -0.000 -0.283) 2.926 4.868 ( -0.713 -0.000 -6.202) 6.243 4.964 ( 0.359 0.000 1.957) 1.990 5.192 ( 1.032 0.000 2.671) 2.863 5.238 ( -2.649 -0.000 -2.618) 3.724 5.455 ( 2.337 0.000 -0.980) 2.534 5.476 ( 3.087 0.000 -2.852) 4.203 5.749 ( -7.408 -0.000 2.756) 7.904 5.755 ( -11.370 -0.000 -4.517) 12.234 5.824 ( -4.968 -0.000 7.257) 8.794 6.236 ( 2.488 0.000 -6.474) 6.935 7.522 ( -5.906 -0.000 -2.137) 6.281 7.572 ( -0.697 -0.000 0.059) 0.699 7.889 ( -6.380 -0.000 2.237) 6.761 7.908 ( -0.805 -0.000 0.336) 0.872 8.089 ( -2.888 -0.000 1.701) 3.352 8.103 ( -3.025 -0.000 -1.196) 3.253 9.140 ( 0.290 0.000 2.581) 2.597 9.212 ( 2.440 0.000 -2.071) 3.201 9.392 ( 4.185 0.000 -2.375) 4.812 9.417 ( 3.507 0.000 2.453) 4.280 9.757 ( -1.136 -0.000 8.999) 9.071 9.916 ( 1.621 0.000 -5.263) 5.507 10.137 ( 4.549 0.000 -0.020) 4.549 10.196 ( 3.394 0.000 1.712) 3.801 10.398 ( 5.531 0.000 -6.007) 8.166 10.507 ( 5.989 0.000 -0.035) 5.989 12.406 ( 2.205 0.000 0.593) 2.284 12.431 ( 3.886 0.000 -0.717) 3.951 12.790 ( 0.563 0.000 -3.753) 3.795 12.795 ( -1.789 -0.000 3.519) 3.948 12.942 ( -0.899 -0.000 1.172) 1.477 12.989 ( -1.116 -0.000 -0.699) 1.317 13.143 ( 1.169 0.000 -4.914) 5.051 13.271 ( 1.849 0.000 1.991) 2.717 13.540 ( -7.839 -0.000 3.611) 8.631 13.601 ( -2.052 -0.000 -1.520) 2.554 15.243 ( -2.675 -0.000 3.309) 4.255 15.278 ( 0.041 0.000 -5.158) 5.158 15.391 ( -0.189 -0.000 2.445) 2.452 15.437 ( -0.899 -0.000 0.092) 0.904 16.282 ( 2.006 0.000 0.482) 2.063 16.304 ( 1.982 0.000 -0.417) 2.026 19.934 ( 1.080 0.000 1.640) 1.964 20.061 ( 0.762 0.000 0.859) 1.148 20.242 ( 1.887 0.000 0.495) 1.951 20.386 ( 1.463 0.000 -3.159) 3.481 26.018 ( 0.018 0.000 0.034) 0.038 26.022 ( 0.034 0.000 -0.016) 0.037 26.300 ( -3.406 -0.000 1.978) 3.939 26.467 ( 0.520 0.000 1.393) 1.487 26.483 ( 1.781 0.000 -6.228) 6.477 26.692 ( 2.480 0.000 1.244) 2.774 27.950 ( 0.376 0.000 0.004) 0.376 27.984 ( 0.286 0.000 -0.370) 0.468 28.105 ( 1.697 0.000 2.046) 2.658 28.131 ( 4.949 0.000 2.408) 5.504 28.352 ( 2.271 0.000 0.013) 2.271 28.449 ( 8.233 0.000 -4.146) 9.218 30.294 ( 1.791 0.000 -8.421) 8.610 30.344 ( 0.624 0.000 1.062) 1.232 30.426 ( 1.443 0.000 0.094) 1.446 30.767 ( 15.864 0.000 3.131) 16.170 31.177 ( -25.503 -0.000 21.936) 33.639 31.413 ( -26.551 -0.000 -15.531) 30.759 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 8.831 -4.036 -6.591) 11.735 1.839 ( 7.649 -0.356 1.040) 7.728 1.925 ( 5.785 1.154 7.704) 9.703 1.999 ( -6.814 -0.839 9.713) 11.895 2.067 ( 0.610 -2.666 -2.011) 3.395 2.342 ( 2.757 0.676 -6.052) 6.685 2.481 ( -5.791 4.729 0.044) 7.476 2.549 ( -1.307 1.992 0.617) 2.461 2.662 ( -4.833 1.551 -1.245) 5.226 2.684 ( -4.329 -0.572 -2.325) 4.947 2.861 ( -0.539 0.681 -0.970) 1.302 2.972 ( -7.277 -1.980 2.119) 7.834 3.043 ( 4.081 -0.946 3.757) 5.627 3.273 ( -1.098 -1.414 4.078) 4.454 3.335 ( 2.217 -1.505 1.470) 3.056 3.493 ( 0.875 1.801 -1.807) 2.698 3.648 ( 8.650 -1.179 -13.312) 15.919 3.891 ( -2.460 -2.378 -2.777) 4.406 3.946 ( 0.239 -0.121 -0.381) 0.466 3.990 ( -3.885 -2.269 -0.265) 4.506 4.228 ( 0.369 -4.243 2.020) 4.714 4.449 ( 6.067 1.100 5.156) 8.037 4.486 ( -1.528 0.148 8.344) 8.484 4.592 ( 0.566 4.095 -1.707) 4.473 4.703 ( 1.449 5.035 -0.584) 5.271 4.794 ( -0.675 -0.198 1.383) 1.551 4.849 ( 1.201 -0.524 -4.033) 4.241 4.980 ( 0.525 -0.353 4.225) 4.273 5.162 ( -5.389 2.258 0.241) 5.848 5.239 ( -2.492 -1.916 0.128) 3.146 5.472 ( 1.611 0.231 -2.218) 2.751 5.509 ( 2.935 -3.193 -1.148) 4.486 5.643 ( -3.280 3.441 -0.550) 4.786 5.711 ( -2.692 -1.234 1.891) 3.514 5.807 ( -3.120 -0.828 1.756) 3.674 6.212 ( 1.548 2.001 -8.098) 8.484 7.511 ( -1.535 -3.906 -1.688) 4.524 7.576 ( -0.690 -1.186 -0.973) 1.682 7.799 ( -2.251 5.301 3.751) 6.873 7.913 ( -0.481 0.451 1.313) 1.469 8.003 ( -2.795 5.784 1.572) 6.614 8.087 ( -1.220 0.228 -1.914) 2.281 9.103 ( 1.060 2.994 2.388) 3.974 9.287 ( -0.047 -5.000 -1.802) 5.315 9.414 ( 2.562 0.379 -1.829) 3.171 9.483 ( 3.342 -1.874 5.775) 6.930 9.763 ( -1.692 0.849 7.630) 7.861 9.932 ( -0.560 -1.891 -6.294) 6.596 10.162 ( 3.317 0.858 4.058) 5.311 10.253 ( 1.254 -3.301 -0.998) 3.670 10.437 ( 3.408 -1.859 -6.992) 7.998 10.523 ( 1.939 1.820 -2.296) 3.514 12.470 ( 2.137 -5.049 0.294) 5.491 12.500 ( 3.066 -4.441 -0.638) 5.434 12.769 ( -2.365 0.795 0.766) 2.610 12.784 ( -2.058 -0.205 -0.636) 2.164 12.904 ( -0.529 4.291 1.189) 4.484 12.948 ( -0.161 3.994 -0.367) 4.014 13.166 ( 2.920 -1.809 -2.402) 4.191 13.282 ( 1.621 1.454 1.072) 2.427 13.460 ( -6.452 1.564 1.390) 6.783 13.572 ( -1.666 1.150 -0.966) 2.243 15.171 ( -1.525 4.138 1.196) 4.569 15.306 ( 0.701 -2.013 -3.504) 4.102 15.408 ( 0.126 -0.703 1.797) 1.933 15.435 ( -0.836 -0.780 0.986) 1.510 16.304 ( 1.057 -0.533 0.477) 1.276 16.330 ( 1.211 -1.215 -0.247) 1.733 19.944 ( 0.519 0.682 2.280) 2.436 20.082 ( 0.424 -1.011 1.734) 2.051 20.263 ( 0.639 -1.000 -0.790) 1.426 20.388 ( 1.432 0.189 -2.135) 2.578 26.017 ( -0.028 0.106 0.075) 0.133 26.023 ( 0.053 -0.077 -0.067) 0.115 26.285 ( -2.855 -1.056 1.224) 3.281 26.457 ( 1.687 2.120 0.961) 2.875 26.483 ( 0.857 0.031 -3.413) 3.519 26.708 ( 2.660 1.776 1.742) 3.642 27.993 ( 0.396 -3.638 0.735) 3.732 28.019 ( 0.783 -3.449 -0.581) 3.585 28.134 ( 1.919 -1.217 1.408) 2.673 28.191 ( -0.963 -2.013 2.757) 3.547 28.351 ( 3.219 0.970 -1.740) 3.786 28.499 ( 5.760 2.358 0.149) 6.226 30.273 ( 1.280 0.138 -9.718) 9.803 30.318 ( 0.419 2.354 2.680) 3.591 30.526 ( 1.078 -8.676 -0.920) 8.791 30.915 ( 14.483 2.800 1.083) 14.790 30.983 ( -20.614 4.815 17.068) 27.192 31.080 ( -16.931 4.990 -14.026) 22.546 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.782 -3.369 -0.613) 7.598 1.867 ( 1.628 1.432 5.540) 5.950 1.997 ( 0.246 -3.076 3.146) 4.407 2.069 ( 3.517 -4.354 10.971) 12.317 2.153 ( 6.605 -2.484 -3.905) 8.065 2.315 ( 0.522 3.107 -0.878) 3.271 2.358 ( -3.484 3.067 -3.115) 5.590 2.523 ( 3.133 3.399 -0.414) 4.641 2.618 ( -0.939 0.234 0.128) 0.976 2.669 ( 1.216 -1.181 0.353) 1.732 2.841 ( -0.630 0.469 -4.195) 4.268 2.929 ( -6.710 -1.507 -2.574) 7.343 3.077 ( 3.132 2.309 2.807) 4.798 3.299 ( -1.111 -1.721 2.086) 2.923 3.370 ( -3.064 -1.223 4.495) 5.576 3.468 ( 0.066 0.555 -1.199) 1.323 3.689 ( 3.446 -1.086 -7.465) 8.294 3.857 ( -3.248 -2.380 -10.784) 11.511 3.967 ( 1.358 -0.256 -0.739) 1.567 3.999 ( -0.876 -1.099 -0.376) 1.455 4.347 ( 1.032 -8.005 0.964) 8.129 4.439 ( -1.159 6.456 -0.463) 6.576 4.478 ( -0.834 0.925 4.394) 4.567 4.570 ( 3.758 1.355 7.115) 8.160 4.651 ( 7.541 5.767 -0.010) 9.493 4.759 ( -2.021 2.580 0.255) 3.287 4.869 ( 0.626 -1.156 -1.493) 1.989 5.017 ( 1.167 0.358 4.108) 4.285 5.057 ( -5.538 1.762 -0.653) 5.849 5.215 ( -3.605 0.415 1.560) 3.950 5.514 ( 3.657 -1.576 1.425) 4.230 5.575 ( 1.579 -2.559 -2.839) 4.135 5.594 ( -0.161 0.380 -0.872) 0.965 5.716 ( -0.959 0.464 0.564) 1.206 5.828 ( -2.241 -4.189 3.122) 5.685 6.137 ( -0.236 3.818 -7.011) 7.987 7.578 ( -0.957 -0.395 -2.317) 2.537 7.605 ( 4.645 -6.258 -2.873) 8.306 7.721 ( 0.266 4.143 5.078) 6.559 7.873 ( -3.850 5.822 1.346) 7.108 7.903 ( 0.657 1.291 1.271) 1.927 8.064 ( 0.258 0.607 -2.753) 2.831 9.101 ( 1.666 0.724 4.185) 4.562 9.334 ( -1.909 -2.654 -2.028) 3.847 9.417 ( 0.960 0.311 -2.219) 2.438 9.572 ( 2.374 -1.726 7.291) 7.860 9.766 ( -1.295 0.201 4.165) 4.367 9.888 ( -4.449 0.843 -4.417) 6.326 10.231 ( 2.838 -2.404 7.787) 8.629 10.292 ( -1.341 -2.225 -6.498) 6.998 10.430 ( 0.515 2.427 -7.024) 7.450 10.515 ( 1.000 -1.179 -0.631) 1.670 12.592 ( -2.071 -7.085 -0.107) 7.382 12.627 ( 1.776 -7.906 -0.834) 8.145 12.712 ( -1.626 4.049 0.831) 4.441 12.749 ( 1.829 4.393 -0.073) 4.759 12.833 ( 0.307 2.713 0.743) 2.830 12.872 ( -0.176 3.304 -0.197) 3.315 13.219 ( 2.420 -0.746 -0.806) 2.657 13.279 ( 2.570 0.512 1.701) 3.124 13.393 ( -3.965 0.128 -1.340) 4.187 13.524 ( -1.330 2.133 -0.980) 2.698 15.105 ( -1.292 3.067 2.833) 4.370 15.322 ( 1.114 -0.564 -2.695) 2.970 15.418 ( 0.733 0.299 0.741) 1.084 15.458 ( -0.981 -2.263 0.216) 2.476 16.320 ( -0.076 -0.452 0.584) 0.742 16.356 ( 0.105 -1.034 -0.310) 1.084 19.939 ( -0.444 1.053 2.520) 2.767 20.114 ( 1.129 -1.042 2.109) 2.609 20.272 ( -1.236 -0.987 -2.946) 3.344 20.394 ( 1.941 0.337 -0.670) 2.081 26.016 ( -0.041 -0.041 0.087) 0.105 26.024 ( 0.055 0.036 -0.097) 0.117 26.281 ( -2.940 -1.098 0.439) 3.169 26.447 ( 1.319 2.851 4.991) 5.897 26.478 ( 2.105 -1.005 -5.265) 5.759 26.701 ( 2.143 2.148 0.191) 3.040 28.040 ( -1.355 -0.257 1.207) 1.833 28.083 ( 2.903 -1.361 0.799) 3.304 28.174 ( -0.872 -2.644 -3.690) 4.622 28.199 ( -3.016 -0.936 5.646) 6.469 28.390 ( -2.949 -4.137 -5.211) 7.278 28.509 ( 10.437 3.455 4.507) 11.882 30.242 ( 0.195 -0.131 -9.379) 9.382 30.318 ( 0.111 -0.125 7.154) 7.156 30.672 ( -4.589 -3.741 -5.418) 8.025 30.770 ( -13.569 3.476 2.494) 14.227 30.785 ( -9.529 -1.994 -0.953) 9.782 31.051 ( 18.245 6.869 1.845) 19.582 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -9.330 -6.367 0.501) 11.307 1.848 ( 1.924 1.863 6.379) 6.919 2.001 ( -3.911 5.326 -3.445) 7.452 2.127 ( 3.558 0.446 5.597) 6.647 2.237 ( 1.995 1.044 -4.413) 4.955 2.287 ( -0.909 -1.730 0.244) 1.970 2.372 ( 1.716 -6.988 0.266) 7.201 2.474 ( 1.501 4.925 2.925) 5.921 2.640 ( 3.423 -2.356 -1.726) 4.499 2.709 ( 0.543 0.447 -0.287) 0.760 2.797 ( -0.037 0.783 -3.280) 3.372 2.908 ( -3.009 -3.623 -5.302) 7.092 3.070 ( 0.568 1.910 4.559) 4.976 3.315 ( -0.534 0.407 1.135) 1.319 3.366 ( -2.738 -0.726 1.233) 3.089 3.455 ( 0.019 1.186 0.212) 1.205 3.693 ( -3.795 -3.180 -4.203) 6.495 3.829 ( 4.514 5.075 -0.421) 6.805 3.975 ( 0.495 0.795 -1.906) 2.124 4.001 ( 1.256 -0.184 -0.729) 1.464 4.321 ( -0.853 2.054 -2.425) 3.290 4.441 ( -1.122 1.041 0.755) 1.707 4.486 ( -2.115 -3.153 -0.943) 3.912 4.590 ( 4.271 5.271 6.923) 9.692 4.668 ( 1.310 0.077 -1.603) 2.072 4.711 ( 4.858 -0.468 -0.608) 4.918 4.875 ( 0.147 -0.125 -2.659) 2.666 4.955 ( -1.153 1.716 -4.158) 4.643 5.080 ( -0.531 -1.422 7.897) 8.042 5.205 ( -2.160 -1.627 3.789) 4.655 5.544 ( 1.106 1.789 -1.779) 2.755 5.583 ( -1.393 -1.743 -3.221) 3.918 5.645 ( 0.548 -3.687 0.729) 3.798 5.681 ( 1.672 2.582 -1.595) 3.465 5.899 ( -0.739 -2.642 6.343) 6.911 6.051 ( -2.324 2.145 -1.923) 3.701 7.554 ( -1.291 0.347 -1.911) 2.332 7.690 ( -2.481 -0.155 3.094) 3.969 7.760 ( 3.072 1.615 -3.984) 5.284 7.793 ( 4.019 -4.857 0.942) 6.374 7.911 ( 1.666 -1.048 1.872) 2.716 8.055 ( 1.014 -0.117 -2.535) 2.733 9.122 ( 0.852 0.938 4.918) 5.078 9.330 ( -2.374 -0.369 -0.720) 2.508 9.406 ( -0.154 -0.154 -4.694) 4.699 9.623 ( 0.593 0.336 3.657) 3.719 9.725 ( -1.094 3.273 -4.572) 5.729 9.853 ( -5.215 -2.109 8.737) 10.391 10.248 ( -2.253 0.662 -6.205) 6.635 10.318 ( 1.293 1.876 -4.021) 4.622 10.364 ( 2.356 0.289 2.435) 3.401 10.547 ( 0.014 -0.928 0.673) 1.146 12.532 ( -7.413 4.441 -0.407) 8.651 12.611 ( -4.657 5.240 0.481) 7.027 12.747 ( 1.304 -2.742 0.126) 3.039 12.784 ( 3.597 -3.304 -0.296) 4.893 12.854 ( 3.638 -2.714 0.740) 4.598 12.874 ( 4.699 -1.806 -0.669) 5.078 13.214 ( 0.539 1.627 -0.083) 1.716 13.324 ( -0.522 -1.247 4.009) 4.231 13.385 ( 2.182 -1.868 -4.723) 5.528 13.481 ( -1.221 0.465 -0.592) 1.435 15.067 ( -1.281 1.680 4.412) 4.892 15.330 ( 0.899 -0.381 -2.132) 2.345 15.424 ( 0.407 0.060 0.806) 0.905 15.479 ( -0.295 -1.177 -1.313) 1.788 16.319 ( -0.777 0.424 0.683) 1.118 16.361 ( -0.411 0.072 -0.426) 0.596 19.919 ( -1.580 1.253 2.443) 3.168 20.159 ( 2.733 -1.231 1.956) 3.579 20.246 ( -1.938 0.472 -3.757) 4.254 20.404 ( 1.189 0.256 -0.908) 1.518 26.018 ( -0.052 -0.142 0.004) 0.151 26.023 ( 0.074 0.098 -0.043) 0.131 26.266 ( -3.347 -0.743 0.575) 3.477 26.419 ( -0.197 2.124 1.836) 2.814 26.534 ( 5.286 -2.295 -1.704) 6.009 26.682 ( 1.412 1.729 -2.314) 3.215 27.974 ( -5.431 2.901 -0.149) 6.159 28.113 ( 4.833 2.673 -0.176) 5.526 28.158 ( -5.610 1.928 -0.019) 5.932 28.215 ( 0.467 -0.853 3.957) 4.075 28.377 ( -3.853 -2.852 -1.859) 5.142 28.634 ( 10.898 -2.033 -1.855) 11.240 30.213 ( -0.955 -0.781 -6.839) 6.950 30.392 ( -0.843 -4.447 14.107) 14.815 30.510 ( -6.294 3.581 -8.288) 11.006 30.598 ( -9.929 4.718 7.855) 13.511 30.947 ( 4.130 -7.776 -3.702) 9.551 31.108 ( 10.226 0.289 -1.064) 10.285 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 3.809 8.540 7.188) 11.794 1.832 ( 1.709 11.730 3.262) 12.295 1.939 ( -3.264 -9.235 -4.625) 10.832 2.144 ( -3.324 -2.224 -0.507) 4.031 2.154 ( 2.860 7.501 -4.960) 9.436 2.329 ( -2.115 -4.453 -3.292) 5.928 2.436 ( -2.126 -1.881 1.218) 3.089 2.520 ( -0.522 -6.680 0.010) 6.701 2.684 ( -1.326 -1.635 1.430) 2.545 2.733 ( 5.004 -2.801 -3.461) 6.698 2.793 ( -1.331 -0.955 -1.665) 2.336 2.924 ( -2.614 -3.320 -5.003) 6.549 3.067 ( 0.238 1.332 5.676) 5.835 3.243 ( 1.885 9.867 7.622) 12.610 3.376 ( 1.871 -0.514 -0.599) 2.031 3.434 ( -1.075 0.557 -1.755) 2.132 3.706 ( -3.423 -3.041 0.257) 4.586 3.776 ( 2.183 3.552 -0.554) 4.206 3.939 ( 0.103 1.446 -3.950) 4.208 4.023 ( 1.784 -0.436 0.901) 2.046 4.327 ( 0.936 0.179 -3.859) 3.974 4.405 ( -1.209 -0.418 0.721) 1.468 4.463 ( -0.784 3.170 2.218) 3.948 4.554 ( 2.723 4.730 3.842) 6.674 4.636 ( -0.858 0.210 -3.037) 3.163 4.840 ( 5.363 -4.789 -5.299) 8.931 4.869 ( 1.328 -0.620 -4.738) 4.959 4.926 ( 0.287 -0.020 -3.105) 3.119 5.125 ( -2.617 -2.128 7.679) 8.387 5.252 ( -2.811 -4.045 6.687) 8.305 5.488 ( -0.024 3.123 -4.076) 5.135 5.584 ( -2.055 -0.757 -2.860) 3.602 5.631 ( 0.130 -0.341 -2.391) 2.419 5.750 ( 5.149 -3.038 0.879) 6.043 5.931 ( -1.287 1.256 9.555) 9.723 6.012 ( -4.316 -0.970 1.405) 4.641 7.539 ( -2.357 -1.411 -1.452) 3.107 7.662 ( -6.941 -2.517 1.890) 7.622 7.757 ( 3.218 0.475 -2.139) 3.893 7.898 ( 0.764 -3.070 1.415) 3.466 8.029 ( 5.622 -5.617 -1.172) 8.034 8.074 ( 2.222 -2.116 -1.203) 3.295 9.104 ( -2.009 2.566 2.228) 3.948 9.306 ( -1.132 1.229 1.541) 2.273 9.380 ( 0.302 0.463 -7.026) 7.048 9.591 ( 1.065 3.012 -7.509) 8.161 9.669 ( -1.084 1.635 6.317) 6.615 9.889 ( -3.496 -2.066 10.304) 11.076 10.203 ( -1.072 1.772 -1.124) 2.357 10.217 ( 4.010 5.443 -9.455) 11.623 10.418 ( 0.872 0.491 2.082) 2.310 10.536 ( 0.771 2.666 1.001) 2.950 12.398 ( -3.654 4.228 -0.259) 5.594 12.492 ( -2.075 4.647 0.537) 5.117 12.767 ( 0.013 -0.059 0.036) 0.070 12.847 ( -2.154 -4.202 -0.235) 4.728 12.941 ( 3.673 -1.731 0.460) 4.087 12.979 ( 5.919 -2.485 -1.232) 6.536 13.192 ( 0.128 1.250 0.182) 1.270 13.346 ( -2.051 -2.007 1.147) 3.091 13.404 ( 0.874 -0.332 -3.529) 3.651 13.514 ( 0.708 -3.914 1.899) 4.407 15.060 ( -1.541 -0.261 5.339) 5.563 15.338 ( 0.396 -0.829 -2.115) 2.306 15.428 ( -0.577 -0.389 0.166) 0.716 15.482 ( 0.902 0.470 -1.287) 1.640 16.300 ( -0.513 1.292 0.592) 1.511 16.346 ( 0.078 1.213 -0.407) 1.282 19.892 ( -1.660 1.004 2.468) 3.139 20.189 ( -0.266 0.961 -6.219) 6.298 20.229 ( 2.611 -0.432 5.078) 5.727 20.392 ( -0.269 0.727 -3.497) 3.582 26.019 ( -0.051 -0.091 -0.080) 0.131 26.022 ( 0.067 0.078 0.017) 0.104 26.255 ( -2.960 -1.317 1.385) 3.524 26.398 ( 0.188 0.889 1.377) 1.650 26.615 ( 5.078 -1.271 -1.637) 5.485 26.655 ( 0.816 0.990 -5.155) 5.312 27.878 ( -4.165 2.038 -0.694) 4.689 28.032 ( -5.813 4.255 0.915) 7.262 28.100 ( 3.983 3.284 -1.760) 5.454 28.261 ( 1.316 -0.999 4.098) 4.418 28.380 ( -1.104 0.645 0.339) 1.323 28.708 ( 7.448 2.213 -8.364) 11.416 30.201 ( -1.402 -1.514 -3.091) 3.716 30.407 ( -1.253 1.483 -4.087) 4.524 30.447 ( -5.301 2.687 3.662) 6.981 30.610 ( -4.118 -11.037 22.883) 25.737 30.951 ( 12.090 12.750 0.303) 17.573 31.316 ( -5.697 -21.248 -8.033) 23.420 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 3.869 0.000 -2.919) 4.847 1.909 ( -2.160 -0.000 3.167) 3.833 1.918 ( -8.441 -0.000 8.011) 11.637 2.000 ( 6.446 0.000 -3.510) 7.340 2.110 ( 13.391 0.000 9.988) 16.706 2.384 ( 6.046 0.000 -3.765) 7.123 2.493 ( -3.668 -0.000 -2.698) 4.553 2.519 ( -5.620 -0.000 -0.419) 5.636 2.611 ( -0.807 -0.000 -3.071) 3.175 2.638 ( -0.962 -0.000 -2.612) 2.783 2.866 ( -1.283 -0.000 0.023) 1.283 2.912 ( -3.860 -0.000 2.196) 4.441 3.097 ( 4.704 0.000 6.254) 7.825 3.242 ( -6.866 -0.000 5.314) 8.682 3.352 ( 3.294 0.000 -0.825) 3.396 3.485 ( -3.278 -0.000 -4.216) 5.340 3.682 ( 9.435 0.000 -10.578) 14.174 3.743 ( -13.158 -0.000 -9.532) 16.247 3.952 ( 0.578 0.000 0.208) 0.614 3.955 ( 0.960 0.000 0.000) 0.960 4.199 ( -0.581 -0.000 4.384) 4.422 4.504 ( -1.778 -0.000 8.547) 8.730 4.562 ( 4.930 0.000 7.843) 9.264 4.614 ( -1.102 -0.000 -1.856) 2.158 4.780 ( -0.037 -0.000 1.203) 1.203 4.793 ( 4.841 0.000 2.822) 5.604 4.849 ( 3.411 0.000 -3.807) 5.112 5.008 ( 1.709 0.000 6.814) 7.025 5.142 ( -2.233 -0.000 -7.571) 7.894 5.195 ( -3.399 -0.000 1.720) 3.810 5.484 ( 3.536 0.000 -1.261) 3.754 5.493 ( 1.368 0.000 -1.165) 1.797 5.653 ( -5.017 -0.000 4.552) 6.775 5.692 ( 2.556 0.000 -1.429) 2.928 5.762 ( -4.329 -0.000 -1.413) 4.554 6.197 ( -0.142 -0.000 -10.506) 10.507 7.473 ( 1.805 0.000 0.496) 1.872 7.561 ( 0.534 0.000 -1.626) 1.711 7.842 ( -0.532 -0.000 3.763) 3.801 7.943 ( 2.110 0.000 3.783) 4.331 8.059 ( 0.049 0.000 -2.207) 2.208 8.061 ( -1.262 -0.000 0.881) 1.539 9.159 ( -0.512 -0.000 2.788) 2.835 9.213 ( -0.197 -0.000 -2.584) 2.592 9.435 ( 1.117 0.000 -0.454) 1.206 9.520 ( 2.743 0.000 7.426) 7.916 9.786 ( -3.173 -0.000 8.721) 9.280 9.891 ( 0.319 0.000 -6.803) 6.810 10.202 ( 1.460 0.000 1.644) 2.199 10.218 ( -1.909 -0.000 0.067) 1.910 10.411 ( 1.267 0.000 -7.745) 7.848 10.522 ( -2.318 -0.000 -4.971) 5.485 12.429 ( -0.420 -0.000 0.358) 0.552 12.474 ( 0.497 0.000 -0.695) 0.855 12.750 ( -2.605 -0.000 0.722) 2.703 12.787 ( 2.257 0.000 -0.291) 2.276 12.940 ( -1.097 -0.000 1.117) 1.566 12.997 ( 2.005 0.000 0.089) 2.007 13.186 ( 5.334 0.000 -0.129) 5.336 13.310 ( 1.672 0.000 -1.521) 2.260 13.407 ( -7.268 -0.000 1.691) 7.462 13.577 ( 0.473 0.000 -0.956) 1.067 15.197 ( -3.631 -0.000 -0.286) 3.642 15.275 ( 2.697 0.000 -3.239) 4.215 15.408 ( -0.204 -0.000 2.640) 2.648 15.434 ( 0.318 0.000 0.906) 0.960 16.305 ( -0.220 -0.000 0.424) 0.478 16.327 ( 0.429 0.000 -0.096) 0.440 19.963 ( -0.039 -0.000 2.893) 2.893 20.086 ( 0.602 0.000 2.415) 2.489 20.249 ( -1.062 -0.000 -1.152) 1.566 20.400 ( 2.506 0.000 -2.002) 3.207 26.019 ( -0.006 -0.000 0.046) 0.046 26.022 ( -0.003 -0.000 -0.033) 0.033 26.260 ( -1.438 -0.000 0.861) 1.676 26.460 ( 1.232 0.000 -6.329) 6.448 26.517 ( 1.259 0.000 5.279) 5.427 26.765 ( 3.133 0.000 2.742) 4.163 27.955 ( 0.090 0.000 0.068) 0.113 27.981 ( -0.089 -0.000 -0.579) 0.586 28.123 ( -1.391 -0.000 1.426) 1.992 28.209 ( -0.066 -0.000 4.292) 4.293 28.350 ( -1.439 -0.000 -2.045) 2.501 28.608 ( 9.045 0.000 3.009) 9.533 30.244 ( 1.320 0.000 -12.647) 12.716 30.362 ( 0.075 0.000 1.859) 1.860 30.440 ( 0.004 0.000 -0.043) 0.043 30.837 ( -16.908 -0.000 -14.957) 22.574 30.886 ( -19.136 -0.000 13.569) 23.458 31.186 ( 22.219 0.000 2.006) 22.309 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -15.905 0.905 -2.253) 16.089 1.819 ( -17.381 -3.244 5.772) 18.599 2.014 ( 14.697 0.232 4.994) 15.524 2.128 ( 10.891 -2.730 -0.306) 11.232 2.249 ( 9.036 2.261 8.519) 12.622 2.361 ( -1.693 3.902 -2.623) 4.997 2.384 ( -0.574 3.223 -4.645) 5.683 2.529 ( -3.544 -3.853 -3.228) 6.150 2.639 ( 3.003 0.024 0.765) 3.099 2.654 ( 6.074 -1.268 -1.103) 6.303 2.835 ( -0.321 1.581 -1.789) 2.409 2.892 ( -1.591 1.021 2.885) 3.449 3.135 ( -1.818 0.899 1.000) 2.261 3.191 ( -9.432 -3.208 2.214) 10.206 3.366 ( -0.963 1.114 0.752) 1.653 3.430 ( -2.623 -1.773 -3.452) 4.684 3.633 ( -5.115 -1.036 -5.483) 7.570 3.763 ( 8.052 -3.337 -8.059) 11.871 3.969 ( 1.545 -0.946 -0.320) 1.840 3.977 ( 1.072 -0.640 -0.396) 1.310 4.257 ( 0.903 -5.061 4.184) 6.628 4.507 ( -1.633 1.767 5.782) 6.263 4.525 ( -1.791 4.066 -3.589) 5.711 4.627 ( 0.076 0.652 7.364) 7.393 4.764 ( -2.639 1.175 1.543) 3.275 4.828 ( 2.537 1.533 1.326) 3.247 4.911 ( 13.091 2.195 1.541) 13.363 5.054 ( 0.259 1.415 0.593) 1.556 5.070 ( 1.734 2.205 -0.053) 2.805 5.171 ( -3.539 -0.907 -0.485) 3.686 5.509 ( -0.044 -2.300 -0.174) 2.307 5.533 ( 1.012 -0.842 0.331) 1.357 5.596 ( -3.896 1.379 -0.701) 4.192 5.718 ( 1.550 -0.218 -1.721) 2.326 5.761 ( 0.336 -3.514 2.292) 4.209 6.132 ( -2.009 1.379 -10.906) 11.175 7.553 ( 6.320 -4.285 -0.019) 7.636 7.566 ( 1.583 -0.382 -2.097) 2.655 7.831 ( 1.874 4.265 5.183) 6.969 7.954 ( 2.045 2.880 2.693) 4.442 7.976 ( -0.593 6.555 0.275) 6.587 8.071 ( 1.547 0.254 -2.716) 3.136 9.140 ( 0.357 1.003 3.460) 3.620 9.247 ( -1.871 -3.818 -2.271) 4.820 9.428 ( -0.628 0.859 0.107) 1.069 9.592 ( 1.664 -1.771 8.732) 9.063 9.778 ( -3.208 0.332 7.709) 8.356 9.845 ( -2.871 1.445 -7.580) 8.233 10.205 ( -4.038 -1.977 -2.205) 5.008 10.235 ( 0.130 -2.101 3.800) 4.344 10.402 ( -0.668 -1.480 -7.951) 8.115 10.469 ( -4.475 -1.374 -4.538) 6.520 12.462 ( -2.828 -4.751 0.077) 5.530 12.504 ( -2.311 -4.378 -0.508) 4.976 12.727 ( -1.732 0.227 -0.257) 1.766 12.821 ( 5.189 0.133 0.310) 5.200 12.903 ( 0.393 3.454 0.909) 3.593 12.974 ( 2.622 5.440 0.537) 6.063 13.251 ( 5.621 0.069 0.475) 5.641 13.310 ( 2.089 -0.435 -4.223) 4.731 13.348 ( -5.027 0.916 3.475) 6.180 13.563 ( 1.194 2.273 -0.837) 2.700 15.134 ( -3.544 1.998 -0.005) 4.068 15.309 ( 2.302 -1.388 -2.623) 3.755 15.424 ( -0.074 -1.026 1.806) 2.079 15.440 ( 0.923 0.510 1.014) 1.463 16.305 ( -1.339 -0.648 0.436) 1.550 16.335 ( -0.558 -0.969 -0.082) 1.122 19.963 ( -0.801 0.970 3.030) 3.281 20.112 ( 0.945 -1.086 2.298) 2.712 20.231 ( -2.530 -0.599 -1.847) 3.189 20.421 ( 3.458 0.248 -1.265) 3.691 26.017 ( -0.016 0.113 0.084) 0.142 26.023 ( -0.010 -0.093 -0.076) 0.121 26.257 ( -0.410 -0.078 0.625) 0.751 26.457 ( 1.466 -0.921 -5.240) 5.519 26.525 ( 0.850 2.524 5.326) 5.955 26.778 ( 2.906 2.890 1.672) 4.426 27.999 ( -0.625 -4.678 0.651) 4.764 28.027 ( 0.849 -4.006 -0.133) 4.097 28.101 ( -4.216 -0.417 0.457) 4.261 28.209 ( -1.712 0.352 4.431) 4.763 28.319 ( -3.212 0.126 -3.417) 4.691 28.689 ( 10.429 2.895 5.377) 12.086 30.202 ( 0.280 -0.004 -12.354) 12.357 30.347 ( -0.258 1.111 3.897) 4.060 30.514 ( -1.351 -7.454 -1.703) 7.765 30.626 ( -11.451 1.036 -12.568) 17.034 30.738 ( -15.432 2.608 9.777) 18.454 31.378 ( 24.345 5.624 1.561) 25.035 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -19.422 -6.741 -1.129) 20.590 1.765 ( -14.977 -7.111 3.011) 16.851 2.131 ( 11.187 3.768 3.001) 12.180 2.230 ( 4.036 -0.238 -5.421) 6.763 2.246 ( -4.822 0.588 -0.673) 4.904 2.299 ( 8.878 7.015 6.070) 12.840 2.359 ( 1.948 -0.319 0.597) 2.062 2.555 ( -0.346 -2.409 0.461) 2.477 2.649 ( 1.952 3.179 0.276) 3.741 2.724 ( 5.645 -0.418 -1.660) 5.899 2.802 ( 1.199 1.820 -5.111) 5.556 2.873 ( 1.313 1.630 2.480) 3.245 3.096 ( -10.392 -5.422 0.482) 11.731 3.177 ( -3.880 -1.338 1.303) 4.306 3.350 ( 0.646 -0.477 -0.883) 1.193 3.445 ( -1.388 -1.113 1.435) 2.286 3.604 ( -1.937 -1.814 -4.649) 5.353 3.870 ( 6.006 -2.758 -3.890) 7.669 3.981 ( 0.504 0.771 -1.813) 2.033 4.005 ( 1.942 -1.247 0.660) 2.400 4.378 ( -1.660 3.462 -2.657) 4.669 4.401 ( 1.730 -2.930 3.199) 4.671 4.480 ( -1.231 2.786 1.809) 3.543 4.643 ( -1.018 0.652 6.292) 6.407 4.707 ( -2.881 1.787 1.283) 3.625 4.822 ( 2.533 1.593 -0.432) 3.024 4.964 ( 8.388 7.038 -7.540) 13.295 4.990 ( 7.501 3.719 1.395) 8.488 5.110 ( 1.074 0.646 9.014) 9.101 5.164 ( -2.553 -1.857 1.303) 3.415 5.518 ( -4.768 -1.112 -1.294) 5.064 5.543 ( -1.439 -0.918 -5.215) 5.487 5.573 ( -1.978 -2.908 3.394) 4.887 5.728 ( 3.626 0.459 -2.764) 4.582 5.865 ( 1.578 -4.323 6.369) 7.858 6.039 ( -3.295 1.749 -8.384) 9.177 7.564 ( 2.005 1.297 -2.657) 3.573 7.709 ( 4.733 -1.057 1.204) 4.996 7.794 ( 4.544 1.071 1.760) 4.989 7.844 ( 0.948 6.176 0.585) 6.276 7.947 ( 2.390 2.147 1.255) 3.449 8.072 ( 2.808 0.851 -2.352) 3.760 9.154 ( -0.413 0.247 4.101) 4.129 9.277 ( -1.329 -2.966 -1.421) 3.547 9.397 ( -1.870 1.196 -0.667) 2.318 9.644 ( -0.610 0.340 4.538) 4.592 9.742 ( -2.132 2.442 -4.266) 5.358 9.797 ( -4.894 -2.371 8.475) 10.069 10.179 ( -4.451 -2.055 -4.650) 6.757 10.301 ( -0.012 -3.354 0.470) 3.387 10.373 ( -1.445 -0.269 -3.987) 4.249 10.475 ( -3.869 -4.825 -2.063) 6.520 12.476 ( -6.937 -1.355 -0.381) 7.079 12.534 ( -6.898 -3.599 0.034) 7.781 12.726 ( 0.317 -1.470 -0.558) 1.604 12.863 ( 2.717 2.375 -0.003) 3.609 12.904 ( 9.101 1.686 1.056) 9.316 12.906 ( 3.496 2.156 0.261) 4.115 13.251 ( 1.301 1.240 -4.250) 4.615 13.308 ( -3.249 0.955 4.051) 5.280 13.377 ( 6.099 -1.859 -0.202) 6.379 13.522 ( 1.453 3.458 -0.665) 3.810 15.077 ( -3.704 0.866 1.266) 4.009 15.333 ( 2.005 -0.037 -1.758) 2.667 15.438 ( 0.138 0.487 0.796) 0.943 15.455 ( 1.055 -1.220 0.412) 1.665 16.303 ( -1.917 -0.789 0.435) 2.118 16.344 ( -1.042 -1.042 -0.109) 1.477 19.940 ( -1.660 1.636 2.920) 3.736 20.152 ( 0.997 -1.692 -0.810) 2.125 20.211 ( -2.536 -0.909 -0.158) 2.698 20.441 ( 3.626 1.331 -0.800) 3.944 26.017 ( -0.007 0.000 0.062) 0.062 26.024 ( 0.004 -0.024 -0.074) 0.078 26.251 ( -0.368 0.738 0.669) 1.062 26.456 ( -0.012 1.596 -0.373) 1.639 26.529 ( 2.241 -1.226 0.153) 2.559 26.753 ( 3.320 3.637 -0.012) 4.925 27.980 ( -5.254 3.823 1.195) 6.606 28.081 ( -2.659 -4.870 -0.091) 5.549 28.163 ( 1.825 -3.279 -0.732) 3.824 28.204 ( -3.276 -0.526 5.254) 6.214 28.257 ( -4.550 -1.528 -4.775) 6.770 28.773 ( 12.420 2.490 3.021) 13.023 30.163 ( -1.095 -0.704 -7.390) 7.504 30.371 ( -1.012 -2.164 8.000) 8.349 30.459 ( -5.816 1.358 -8.092) 10.057 30.589 ( -10.698 2.851 6.308) 12.742 30.675 ( -3.072 -12.475 -4.682) 13.674 31.462 ( 22.217 12.105 0.681) 25.309 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -13.673 -16.727 -1.709) 21.672 1.793 ( -8.825 -8.737 3.059) 12.789 2.113 ( 5.552 8.303 1.799) 10.149 2.173 ( 4.087 6.959 -5.850) 9.967 2.230 ( -1.467 -0.963 -0.516) 1.829 2.315 ( 5.270 3.319 5.694) 8.439 2.383 ( -0.133 -0.701 -0.726) 1.018 2.560 ( 1.961 6.887 1.840) 7.393 2.626 ( -1.195 -4.607 -0.464) 4.782 2.753 ( 4.435 2.027 -6.023) 7.749 2.776 ( 3.443 0.238 -3.625) 5.005 2.869 ( -0.611 0.872 0.615) 1.230 3.121 ( -2.439 -2.777 4.736) 6.008 3.192 ( -7.938 -7.177 2.651) 11.025 3.376 ( 1.385 -1.122 -0.395) 1.826 3.435 ( -1.455 0.974 -0.032) 1.752 3.614 ( -0.600 -2.743 -4.869) 5.621 3.882 ( 0.384 4.944 0.791) 5.021 3.946 ( 0.576 1.811 -4.674) 5.045 4.036 ( 0.671 0.143 1.267) 1.441 4.304 ( 0.437 -0.279 -2.548) 2.600 4.405 ( -3.148 2.088 1.122) 3.941 4.502 ( 2.595 -0.346 3.670) 4.508 4.612 ( -1.701 0.672 -1.891) 2.630 4.694 ( 0.745 2.292 7.043) 7.444 4.844 ( 3.481 -1.436 -1.932) 4.232 4.895 ( 5.895 5.079 -7.995) 11.156 4.981 ( 6.958 6.168 0.290) 9.302 5.127 ( -2.561 0.544 9.116) 9.484 5.197 ( -0.970 -2.645 3.796) 4.727 5.499 ( -1.534 -0.554 -4.556) 4.839 5.508 ( -2.651 -1.412 -3.794) 4.839 5.593 ( -2.402 -1.458 -2.365) 3.673 5.773 ( 4.651 -1.631 -0.355) 4.941 5.943 ( -2.335 -1.199 -0.150) 2.629 5.973 ( -2.457 -0.078 5.887) 6.379 7.541 ( 1.638 2.300 -1.992) 3.455 7.631 ( -3.263 4.176 2.655) 5.928 7.803 ( 3.186 2.153 -0.495) 3.877 7.899 ( 2.963 0.466 0.662) 3.071 7.998 ( 6.414 -4.419 -1.078) 7.863 8.082 ( 3.274 0.217 -0.963) 3.419 9.126 ( -3.226 2.218 0.950) 4.028 9.317 ( 0.478 -1.122 4.046) 4.225 9.356 ( -0.799 0.090 -4.577) 4.647 9.608 ( -0.115 1.749 -6.486) 6.719 9.698 ( -2.364 0.929 6.313) 6.805 9.845 ( -3.060 -3.789 8.113) 9.463 10.171 ( -1.816 -2.263 -2.005) 3.527 10.274 ( -0.232 2.291 -7.907) 8.235 10.411 ( -0.741 -2.634 2.340) 3.600 10.508 ( -3.400 -4.107 -1.642) 5.579 12.402 ( -5.056 1.382 -0.379) 5.255 12.493 ( -6.050 -0.049 0.289) 6.057 12.762 ( 0.209 -1.720 0.196) 1.743 12.823 ( 1.933 2.658 -0.861) 3.397 12.943 ( 3.032 -1.478 0.389) 3.396 13.011 ( 7.387 -1.349 0.293) 7.515 13.228 ( 1.229 1.817 -1.634) 2.736 13.289 ( -2.777 -1.120 2.149) 3.686 13.430 ( 3.760 1.862 -4.507) 6.158 13.507 ( 2.339 -0.292 3.997) 4.640 15.044 ( -3.758 -0.438 2.118) 4.336 15.339 ( 1.592 0.569 -1.518) 2.272 15.429 ( -0.007 0.768 0.257) 0.810 15.486 ( 1.171 -0.887 0.078) 1.471 16.298 ( -1.561 -0.447 0.337) 1.658 16.348 ( -0.682 -0.521 -0.007) 0.858 19.907 ( -1.718 1.381 3.002) 3.724 20.155 ( -1.333 -0.802 -6.036) 6.234 20.237 ( 0.545 -2.184 3.887) 4.492 20.432 ( 2.804 3.155 -1.288) 4.414 26.017 ( -0.011 -0.057 -0.048) 0.075 26.024 ( 0.035 0.018 0.001) 0.039 26.239 ( -0.222 0.581 1.611) 1.727 26.425 ( -0.322 1.576 1.948) 2.526 26.575 ( 0.570 -2.295 -4.519) 5.100 26.733 ( 5.042 3.158 -0.809) 6.004 27.876 ( -3.975 2.720 0.138) 4.818 28.036 ( -6.410 2.917 0.205) 7.045 28.163 ( 0.836 1.856 -3.469) 4.022 28.219 ( -2.057 -4.065 2.799) 5.347 28.327 ( -0.568 -5.535 1.351) 5.726 28.833 ( 10.208 4.348 -3.662) 11.684 30.154 ( -1.455 -1.451 0.021) 2.055 30.390 ( -1.170 -0.030 -4.193) 4.353 30.433 ( -4.691 -0.901 5.920) 7.606 30.515 ( -4.742 -3.441 10.823) 12.307 30.853 ( -5.469 -15.926 -7.429) 18.405 31.408 ( 17.122 16.882 -0.284) 24.047 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -20.070 -0.000 -4.182) 20.501 1.603 ( -22.817 -0.000 4.588) 23.273 2.165 ( 0.783 0.000 -3.630) 3.713 2.203 ( 13.746 0.000 1.568) 13.835 2.279 ( -12.344 -0.000 -6.437) 13.922 2.344 ( -1.278 -0.000 6.482) 6.607 2.433 ( 4.317 0.000 -6.099) 7.473 2.492 ( 11.440 0.000 3.661) 12.011 2.696 ( 5.366 0.000 1.614) 5.603 2.706 ( 7.842 0.000 -1.742) 8.033 2.840 ( -0.888 -0.000 0.254) 0.923 2.918 ( 2.334 0.000 2.599) 3.493 2.999 ( -12.594 -0.000 0.157) 12.595 3.209 ( 3.656 0.000 2.320) 4.330 3.354 ( -1.369 -0.000 -5.754) 5.914 3.404 ( 0.351 0.000 4.770) 4.783 3.571 ( -2.885 -0.000 -3.001) 4.163 3.799 ( 8.503 0.000 -2.776) 8.944 3.970 ( 1.838 0.000 -1.303) 2.253 3.995 ( 2.335 0.000 0.607) 2.413 4.236 ( 0.853 0.000 5.347) 5.415 4.515 ( -2.915 -0.000 -4.677) 5.511 4.536 ( -0.541 -0.000 4.692) 4.723 4.650 ( -1.323 -0.000 6.050) 6.193 4.754 ( -3.770 -0.000 2.249) 4.390 4.844 ( 1.793 0.000 -3.691) 4.104 5.041 ( -1.254 -0.000 -7.615) 7.718 5.075 ( 4.911 0.000 12.654) 13.574 5.129 ( 3.181 0.000 8.014) 8.622 5.173 ( 9.147 0.000 -4.177) 10.056 5.462 ( -3.053 -0.000 -2.924) 4.228 5.539 ( -6.897 -0.000 -2.771) 7.433 5.567 ( 2.512 0.000 1.824) 3.104 5.736 ( 3.717 0.000 -3.996) 5.458 5.750 ( 3.124 0.000 2.794) 4.191 6.071 ( -3.476 -0.000 -11.337) 11.858 7.583 ( 3.411 0.000 -1.504) 3.728 7.592 ( 9.467 0.000 0.859) 9.506 7.916 ( 4.055 0.000 3.766) 5.534 8.024 ( 2.585 0.000 4.383) 5.089 8.049 ( 0.127 0.000 -0.705) 0.716 8.075 ( 3.421 0.000 -2.483) 4.227 9.166 ( -0.702 -0.000 2.180) 2.290 9.177 ( -1.657 -0.000 -1.379) 2.156 9.425 ( -2.074 -0.000 0.792) 2.220 9.624 ( 0.782 0.000 10.186) 10.216 9.758 ( -6.038 -0.000 6.177) 8.638 9.810 ( -2.376 -0.000 -9.166) 9.469 10.130 ( -6.624 -0.000 -0.839) 6.677 10.216 ( -2.388 -0.000 2.925) 3.776 10.345 ( -1.802 -0.000 -5.918) 6.186 10.364 ( -8.211 -0.000 -6.348) 10.378 12.395 ( -3.073 -0.000 0.202) 3.080 12.443 ( -2.713 -0.000 -0.327) 2.733 12.694 ( -4.425 -0.000 -1.056) 4.549 12.878 ( 6.343 0.000 0.473) 6.361 12.944 ( 1.827 0.000 0.858) 2.018 13.058 ( 3.370 0.000 1.185) 3.572 13.268 ( -1.611 -0.000 -7.082) 7.263 13.335 ( 8.406 0.000 3.034) 8.937 13.352 ( -1.113 -0.000 3.629) 3.796 13.599 ( 2.209 0.000 -0.333) 2.234 15.099 ( -5.297 -0.000 -2.211) 5.740 15.317 ( 3.054 0.000 -0.752) 3.145 15.426 ( 0.356 0.000 1.803) 1.838 15.462 ( 1.684 0.000 0.832) 1.878 16.283 ( -2.067 -0.000 0.365) 2.099 16.317 ( -1.351 -0.000 0.015) 1.351 19.973 ( -1.363 -0.000 3.042) 3.334 20.120 ( 0.844 0.000 1.591) 1.801 20.191 ( -3.492 -0.000 -0.930) 3.614 20.458 ( 4.680 0.000 -1.290) 4.854 26.019 ( -0.015 -0.000 0.056) 0.058 26.021 ( -0.039 -0.000 -0.039) 0.055 26.270 ( 1.875 0.000 0.817) 2.045 26.442 ( 1.344 0.000 -4.448) 4.647 26.575 ( 0.344 0.000 4.958) 4.970 26.838 ( 2.413 0.000 0.881) 2.569 27.957 ( 0.020 0.000 0.295) 0.296 27.978 ( 0.373 0.000 -0.703) 0.796 28.087 ( -3.183 -0.000 1.844) 3.678 28.180 ( -6.575 -0.000 5.014) 8.269 28.281 ( -3.031 -0.000 -3.686) 4.772 28.835 ( 10.344 0.000 5.363) 11.651 30.153 ( -0.587 -0.000 -11.092) 11.108 30.371 ( -0.818 -0.000 1.984) 2.146 30.425 ( -1.401 -0.000 -0.327) 1.439 30.491 ( -8.227 -0.000 -10.573) 13.397 30.650 ( -13.563 -0.000 7.187) 15.349 31.684 ( 26.952 0.000 0.568) 26.958 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -24.157 0.306 -1.319) 24.195 1.451 ( -22.871 -7.701 0.486) 24.138 2.079 ( -20.586 -10.055 -7.477) 24.100 2.172 ( -4.939 0.766 -3.299) 5.989 2.269 ( -4.451 -3.650 -3.114) 6.545 2.403 ( 14.472 5.023 4.352) 15.925 2.500 ( 9.160 0.812 -2.328) 9.486 2.568 ( 10.267 4.616 3.897) 11.912 2.741 ( 3.634 1.688 2.543) 4.746 2.778 ( 6.555 -0.846 -1.830) 6.858 2.837 ( 1.782 1.604 0.343) 2.422 2.914 ( -4.184 1.359 2.031) 4.846 2.948 ( 4.093 1.572 0.613) 4.427 3.225 ( 2.133 2.188 2.100) 3.707 3.335 ( 0.217 -0.786 -2.813) 2.929 3.430 ( -1.042 -0.710 4.720) 4.886 3.542 ( -2.596 -1.319 -3.620) 4.646 3.893 ( 8.081 -1.163 -0.097) 8.164 3.992 ( 2.523 -0.556 -1.444) 2.960 4.014 ( 1.488 0.370 1.179) 1.934 4.325 ( 2.003 -5.818 4.077) 7.381 4.439 ( -3.022 3.413 -3.466) 5.726 4.521 ( -0.606 2.406 0.853) 2.623 4.656 ( -2.641 0.780 4.014) 4.868 4.709 ( -3.001 0.492 2.387) 3.866 4.840 ( 1.632 0.335 -4.802) 5.083 5.007 ( 0.498 0.466 -5.466) 5.509 5.110 ( -1.982 -0.199 5.612) 5.955 5.175 ( 2.462 1.052 8.171) 8.598 5.273 ( 14.959 5.659 1.475) 16.061 5.440 ( -3.025 -2.136 -1.994) 4.206 5.473 ( -3.535 -1.018 -3.631) 5.169 5.567 ( -1.183 1.315 4.428) 4.769 5.744 ( 2.803 0.115 -7.203) 7.731 5.844 ( 4.405 -3.731 4.158) 7.114 5.988 ( -3.885 0.782 -8.520) 9.396 7.611 ( 4.834 1.110 -1.568) 5.201 7.740 ( 12.114 -4.320 -0.636) 12.877 7.903 ( -0.089 6.482 2.046) 6.798 7.982 ( 2.682 6.849 1.968) 7.614 8.032 ( 3.681 3.563 1.192) 5.260 8.109 ( 4.229 0.218 -1.795) 4.600 9.153 ( -1.707 -0.110 1.116) 2.043 9.206 ( -0.544 -3.756 -0.027) 3.795 9.395 ( -3.088 1.022 1.460) 3.565 9.655 ( -2.952 1.006 4.767) 5.696 9.720 ( -4.043 0.084 -1.447) 4.295 9.752 ( -3.750 -1.286 2.327) 4.597 10.072 ( -6.803 -2.291 -2.411) 7.573 10.216 ( -5.659 -4.120 0.705) 7.036 10.300 ( -5.099 -2.399 -5.354) 7.773 10.337 ( -3.303 -3.886 -1.073) 5.212 12.384 ( -4.773 -2.102 0.102) 5.216 12.432 ( -4.256 -1.930 -0.299) 4.683 12.658 ( -5.474 -2.853 -1.014) 6.255 12.937 ( 5.935 1.217 0.105) 6.060 12.966 ( 5.120 0.754 0.732) 5.227 13.046 ( 3.868 4.938 0.578) 6.300 13.231 ( -0.225 -0.167 -6.880) 6.886 13.343 ( -0.434 1.735 4.002) 4.383 13.434 ( 8.126 -0.247 2.334) 8.458 13.596 ( 2.415 2.886 0.109) 3.765 15.038 ( -5.272 -0.017 -1.056) 5.377 15.351 ( 2.881 -0.385 -0.225) 2.916 15.438 ( 0.367 -0.233 1.005) 1.095 15.476 ( 1.832 0.665 0.469) 2.004 16.270 ( -2.168 -0.696 0.372) 2.307 16.311 ( -1.751 -1.080 -0.093) 2.059 19.958 ( -1.944 1.201 2.785) 3.602 20.123 ( -1.340 -0.495 -3.636) 3.906 20.175 ( -1.637 -1.312 3.435) 4.025 20.498 ( 5.256 0.549 -1.511) 5.496 26.018 ( 0.008 0.092 0.077) 0.121 26.022 ( -0.041 -0.099 -0.066) 0.126 26.285 ( 2.678 1.454 0.662) 3.119 26.455 ( 1.582 -1.319 -2.769) 3.452 26.561 ( -0.796 2.951 3.019) 4.296 26.836 ( 2.661 2.286 -1.044) 3.660 27.980 ( -1.114 -3.483 -0.584) 3.703 28.009 ( -5.070 4.326 2.461) 7.104 28.057 ( 0.779 -7.008 -0.462) 7.067 28.157 ( -6.404 -1.763 3.509) 7.512 28.223 ( -3.552 1.132 -2.991) 4.780 28.932 ( 11.013 1.647 -1.667) 11.260 30.121 ( -1.462 -0.500 0.332) 1.580 30.362 ( -1.377 -0.331 3.667) 3.931 30.391 ( -4.072 0.073 -6.698) 7.839 30.473 ( -2.417 -6.547 -2.537) 7.426 30.545 ( -10.284 1.213 4.739) 11.388 31.873 ( 25.525 8.437 -0.389) 26.886 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -18.502 -13.817 2.236) 23.200 1.449 ( -17.662 -15.847 -0.557) 23.736 2.083 ( -12.018 -9.606 -3.506) 15.779 2.132 ( -4.679 -3.272 -3.413) 6.652 2.281 ( -5.972 -6.403 -3.631) 9.479 2.432 ( 11.242 7.850 2.121) 13.874 2.520 ( 10.407 7.279 2.082) 12.869 2.598 ( 5.892 2.780 -0.431) 6.529 2.722 ( 2.608 5.308 5.620) 8.159 2.806 ( 2.098 2.469 -2.326) 3.989 2.831 ( 5.310 1.778 -2.670) 6.204 2.882 ( -3.359 -0.949 1.606) 3.842 2.941 ( 1.526 2.428 -0.749) 2.964 3.218 ( 1.540 1.609 3.858) 4.455 3.356 ( 0.117 -1.663 -0.941) 1.914 3.438 ( -1.087 0.195 2.773) 2.985 3.542 ( -1.420 -2.856 -4.702) 5.682 3.940 ( 2.995 1.505 -1.855) 3.831 3.987 ( 1.048 3.232 -0.220) 3.405 4.045 ( 1.113 -0.457 1.067) 1.608 4.324 ( -1.245 3.466 -2.871) 4.670 4.417 ( -2.976 1.758 1.724) 3.863 4.508 ( 2.336 -3.209 1.744) 4.335 4.604 ( -1.868 1.167 -2.584) 3.396 4.718 ( -1.231 -0.555 3.465) 3.719 4.842 ( 2.293 -0.613 -2.706) 3.600 4.977 ( 1.903 2.536 -4.196) 5.260 5.111 ( -3.649 -0.887 4.925) 6.193 5.214 ( 2.287 0.670 7.515) 7.884 5.259 ( 10.902 10.128 -0.059) 14.881 5.421 ( -1.737 -0.738 -2.041) 2.780 5.475 ( -0.486 -1.277 -5.442) 5.611 5.548 ( -2.775 0.860 0.851) 3.027 5.762 ( 2.103 -2.648 -3.939) 5.191 5.907 ( -1.901 1.036 -3.302) 3.948 5.964 ( 0.637 -2.890 8.255) 8.770 7.611 ( 4.259 3.390 -3.446) 6.443 7.745 ( 0.049 8.645 3.264) 9.240 7.892 ( 4.751 4.248 -2.494) 6.844 7.960 ( 7.355 -0.738 2.240) 7.724 8.013 ( 4.251 1.500 0.267) 4.516 8.130 ( 3.887 1.520 -0.684) 4.230 9.122 ( -3.164 1.190 -0.965) 3.515 9.286 ( 1.493 -4.583 0.069) 4.820 9.350 ( -2.902 1.308 2.980) 4.361 9.596 ( -1.903 0.653 -5.444) 5.804 9.696 ( -4.660 -0.687 4.461) 6.488 9.770 ( -2.943 -3.337 3.735) 5.810 10.081 ( -4.018 -4.849 0.492) 6.317 10.238 ( -2.601 -1.995 -3.925) 5.114 10.304 ( -5.901 -7.787 -1.044) 9.826 10.375 ( -3.622 -4.110 -0.741) 5.529 12.354 ( -5.036 -0.651 -0.225) 5.083 12.414 ( -5.254 -1.869 0.186) 5.580 12.687 ( -3.784 -5.694 -0.321) 6.844 12.924 ( 3.679 5.669 -0.908) 6.819 12.982 ( 3.543 2.124 0.487) 4.159 13.065 ( 6.218 -0.611 -0.837) 6.304 13.222 ( 1.341 -0.893 -5.381) 5.617 13.317 ( -0.316 2.937 4.711) 5.560 13.494 ( 5.544 2.028 -3.014) 6.628 13.571 ( 2.655 2.739 4.348) 5.784 14.996 ( -4.597 -0.731 1.145) 4.794 15.371 ( 2.640 1.132 -0.421) 2.903 15.446 ( 0.382 0.228 -0.040) 0.447 15.484 ( 1.079 -0.142 0.504) 1.199 16.267 ( -1.824 -1.069 0.311) 2.137 16.318 ( -1.501 -1.660 -0.136) 2.243 19.925 ( -1.849 1.409 2.946) 3.753 20.101 ( -1.987 -1.112 -4.936) 5.436 20.210 ( -0.761 -2.182 2.990) 3.779 20.515 ( 4.740 2.630 -2.184) 5.844 26.017 ( 0.028 0.049 0.029) 0.063 26.023 ( -0.011 -0.097 -0.048) 0.109 26.281 ( 2.618 2.227 1.193) 3.638 26.457 ( -0.630 1.823 1.662) 2.546 26.532 ( -0.687 -0.925 -2.652) 2.892 26.823 ( 4.395 2.466 -2.855) 5.792 27.895 ( -3.573 3.708 0.655) 5.191 28.004 ( -5.048 -0.037 -0.376) 5.062 28.101 ( -4.232 -3.308 -1.776) 5.658 28.181 ( -1.851 -0.696 -0.079) 1.979 28.220 ( -0.397 -7.296 2.730) 7.800 28.968 ( 8.940 2.599 -13.026) 16.011 30.152 ( -0.097 0.106 15.958) 15.959 30.357 ( -0.589 -1.067 -3.266) 3.486 30.388 ( -3.123 -2.036 5.050) 6.277 30.466 ( -5.757 -0.341 4.437) 7.276 30.566 ( -4.111 -9.766 -5.010) 11.721 31.880 ( 20.408 17.000 -1.247) 26.590 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -24.541 -0.000 -0.221) 24.542 1.118 ( -27.814 -0.000 -6.869) 28.650 1.630 ( -37.224 -0.000 4.718) 37.522 2.134 ( -6.775 -0.000 -4.725) 8.260 2.145 ( -4.994 -0.000 -4.831) 6.948 2.603 ( 14.006 0.000 -3.258) 14.380 2.625 ( 14.445 0.000 4.221) 15.049 2.727 ( 7.410 0.000 2.526) 7.829 2.802 ( 4.073 0.000 -1.746) 4.431 2.814 ( 6.395 0.000 1.694) 6.615 2.899 ( 6.268 0.000 0.971) 6.343 2.945 ( 2.124 0.000 1.485) 2.591 3.011 ( 5.638 0.000 -1.424) 5.815 3.270 ( 0.732 0.000 1.807) 1.950 3.315 ( -0.247 -0.000 -2.919) 2.929 3.430 ( -2.231 -0.000 5.398) 5.840 3.484 ( -3.778 -0.000 -3.957) 5.471 3.979 ( 7.497 0.000 3.672) 8.348 4.006 ( 2.632 0.000 -0.730) 2.731 4.050 ( 4.467 0.000 0.627) 4.511 4.291 ( -0.345 -0.000 4.887) 4.899 4.419 ( -3.072 -0.000 -5.026) 5.891 4.537 ( -1.180 -0.000 -2.047) 2.363 4.663 ( -5.507 -0.000 -1.563) 5.725 4.664 ( -1.871 -0.000 4.280) 4.671 4.833 ( 2.030 0.000 -7.284) 7.561 4.985 ( 0.269 0.000 -3.891) 3.900 5.133 ( 1.134 0.000 3.375) 3.560 5.219 ( -3.020 -0.000 11.280) 11.678 5.358 ( -3.775 -0.000 -4.711) 6.037 5.439 ( -0.089 -0.000 -0.542) 0.549 5.487 ( 14.598 0.000 -2.189) 14.761 5.594 ( -1.927 -0.000 8.436) 8.653 5.723 ( 0.664 0.000 -13.849) 13.865 5.885 ( 8.055 0.000 3.594) 8.820 5.951 ( -0.861 -0.000 2.094) 2.264 7.675 ( 6.584 0.000 -0.790) 6.632 7.815 ( 12.727 0.000 -1.778) 12.851 7.965 ( -1.237 -0.000 -0.530) 1.346 8.102 ( 2.451 0.000 3.564) 4.325 8.109 ( 6.306 0.000 0.976) 6.382 8.143 ( 4.930 0.000 -1.617) 5.188 9.135 ( -1.926 -0.000 -0.267) 1.944 9.162 ( -0.817 -0.000 0.019) 0.817 9.379 ( -3.553 -0.000 1.878) 4.019 9.646 ( -7.949 -0.000 1.140) 8.030 9.665 ( -4.389 -0.000 -8.932) 9.952 9.706 ( -0.515 -0.000 8.949) 8.964 9.971 ( -8.453 -0.000 -0.669) 8.480 10.067 ( -12.050 -0.000 -2.508) 12.309 10.233 ( -3.144 -0.000 0.709) 3.223 10.280 ( -2.128 -0.000 -0.056) 2.129 12.328 ( -3.637 -0.000 -0.073) 3.637 12.381 ( -3.270 -0.000 -0.036) 3.270 12.548 ( -9.326 -0.000 -0.866) 9.366 13.009 ( 6.436 0.000 -0.233) 6.440 13.025 ( 5.065 0.000 0.640) 5.105 13.120 ( 2.307 0.000 -2.017) 3.065 13.203 ( 0.973 0.000 -7.952) 8.011 13.371 ( -0.044 -0.000 4.717) 4.717 13.522 ( 7.851 0.000 1.107) 7.928 13.651 ( 2.812 0.000 1.755) 3.314 14.984 ( -4.680 -0.000 0.888) 4.764 15.373 ( 2.217 0.000 1.211) 2.526 15.448 ( 1.163 0.000 0.269) 1.193 15.501 ( 1.927 0.000 -0.319) 1.953 16.247 ( -1.604 -0.000 0.365) 1.645 16.281 ( -1.986 -0.000 -0.341) 2.016 19.960 ( -1.943 -0.000 2.224) 2.953 20.082 ( -2.864 -0.000 -4.119) 5.017 20.169 ( -0.699 -0.000 4.160) 4.218 20.542 ( 5.112 0.000 -4.192) 6.611 26.019 ( 0.015 0.000 0.056) 0.058 26.020 ( -0.048 -0.000 -0.031) 0.057 26.340 ( 4.517 0.000 0.620) 4.559 26.445 ( 1.563 0.000 -2.185) 2.686 26.602 ( -0.631 -0.000 2.686) 2.759 26.854 ( 0.453 0.000 -5.335) 5.355 27.958 ( -0.295 -0.000 0.366) 0.470 27.977 ( -0.531 -0.000 -0.231) 0.579 28.047 ( -1.675 -0.000 1.131) 2.021 28.060 ( -8.284 -0.000 3.276) 8.909 28.178 ( -4.907 -0.000 -2.652) 5.577 28.986 ( 5.905 0.000 -24.090) 24.803 30.168 ( 2.450 0.000 30.884) 30.981 30.334 ( -2.216 -0.000 -4.041) 4.609 30.365 ( -1.378 -0.000 0.309) 1.412 30.385 ( -2.232 -0.000 -0.461) 2.279 30.480 ( -8.195 -0.000 3.283) 8.828 32.193 ( 24.969 0.000 -1.155) 24.996 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -22.912 -4.694 6.733) 24.338 0.963 ( -24.044 -15.955 -4.687) 29.234 1.549 ( -30.192 -22.683 14.528) 40.461 2.044 ( -4.513 -0.609 -4.518) 6.415 2.127 ( -4.635 -4.090 -7.423) 9.660 2.661 ( 11.418 5.623 -1.507) 12.816 2.727 ( 10.871 4.018 0.619) 11.607 2.759 ( 6.244 5.299 1.411) 8.310 2.806 ( 2.346 1.785 2.924) 4.152 2.876 ( 4.878 1.837 -0.864) 5.284 2.927 ( 4.092 4.668 -0.583) 6.235 2.942 ( 5.930 3.750 0.824) 7.065 3.028 ( 4.432 3.540 -2.163) 6.071 3.260 ( -0.101 1.193 1.795) 2.157 3.318 ( -1.024 -1.873 -1.149) 2.424 3.432 ( -2.254 -0.970 3.759) 4.489 3.455 ( -3.063 -2.870 -4.333) 6.033 3.990 ( 2.075 2.346 -0.773) 3.226 4.044 ( 0.235 0.792 2.401) 2.539 4.094 ( 6.973 2.622 -1.014) 7.519 4.346 ( -1.772 2.109 -4.006) 4.862 4.378 ( -1.854 -5.571 3.846) 7.019 4.481 ( -2.247 1.000 -4.813) 5.405 4.591 ( -2.229 0.976 -3.676) 4.408 4.680 ( -2.932 -2.235 0.078) 3.687 4.840 ( 2.630 -0.980 -4.946) 5.687 4.978 ( -0.337 -0.380 -3.441) 3.478 5.119 ( -0.619 2.546 -1.259) 2.907 5.229 ( -3.454 -1.206 8.272) 9.045 5.345 ( -1.120 -3.121 -0.056) 3.316 5.447 ( 2.394 1.011 1.547) 3.024 5.496 ( 3.057 2.993 -17.621) 18.133 5.575 ( -2.899 2.868 -1.740) 4.433 5.713 ( 1.075 -2.322 -1.429) 2.931 5.985 ( 5.531 1.632 8.338) 10.138 5.997 ( 9.318 4.112 19.023) 21.578 7.692 ( 3.672 3.664 -5.344) 7.448 7.894 ( 0.899 5.670 3.702) 6.831 7.963 ( 11.211 -2.984 -5.392) 12.793 8.074 ( 3.623 6.266 4.521) 8.534 8.124 ( 4.863 4.709 0.404) 6.782 8.190 ( 4.311 0.790 -0.233) 4.389 9.108 ( -2.171 0.913 -1.040) 2.574 9.203 ( -0.282 -5.430 -0.993) 5.527 9.348 ( -3.211 0.214 2.471) 4.058 9.555 ( -5.329 0.487 -0.969) 5.438 9.598 ( -5.765 -1.688 -7.976) 9.985 9.748 ( -2.331 -0.233 7.319) 7.685 9.941 ( -4.977 -6.307 0.598) 8.057 10.035 ( -10.181 -9.171 -0.557) 13.714 10.211 ( -2.696 -0.632 -0.171) 2.774 10.290 ( -2.552 -2.714 1.092) 3.882 12.297 ( -3.986 -0.527 -0.154) 4.024 12.350 ( -3.779 -0.442 0.095) 3.806 12.517 ( -7.768 -6.656 -0.411) 10.238 13.048 ( 4.972 3.357 0.053) 6.000 13.062 ( 3.355 2.911 -0.870) 4.526 13.083 ( 1.351 -0.506 -7.080) 7.226 13.200 ( 2.125 -1.278 -7.627) 8.020 13.382 ( 0.639 1.764 6.452) 6.720 13.564 ( 4.399 1.829 -5.069) 6.957 13.669 ( 3.363 2.709 5.885) 7.299 14.964 ( -2.174 0.319 6.202) 6.579 15.404 ( 1.539 -0.857 1.027) 2.039 15.452 ( 1.174 1.047 -0.142) 1.579 15.507 ( 1.455 0.902 -0.931) 1.949 16.240 ( -1.067 -0.446 0.316) 1.199 16.273 ( -1.700 -1.373 -0.592) 2.264 19.939 ( -1.740 0.985 2.351) 3.086 20.046 ( -2.276 -0.743 -4.123) 4.768 20.183 ( -1.315 -0.937 2.641) 3.095 20.565 ( 3.703 -0.379 -8.252) 9.053 26.019 ( 0.029 0.072 0.055) 0.095 26.021 ( -0.031 -0.102 -0.046) 0.116 26.361 ( 4.384 2.521 0.501) 5.082 26.470 ( 1.172 -1.093 -0.809) 1.795 26.533 ( -3.684 4.817 0.246) 6.069 26.851 ( 2.218 -1.561 -8.562) 8.981 27.928 ( -3.719 3.663 0.517) 5.245 27.952 ( -2.722 -0.515 0.255) 2.782 28.013 ( -4.051 -1.910 -0.206) 4.484 28.104 ( -1.953 -5.520 0.870) 5.919 28.133 ( -2.971 -1.920 -0.838) 3.636 28.895 ( -2.263 -5.497 -42.221) 42.637 30.313 ( 0.630 -0.178 1.735) 1.854 30.351 ( -1.943 -0.393 2.287) 3.027 30.392 ( 7.310 2.339 36.039) 36.847 30.410 ( 1.466 -1.149 15.794) 15.903 30.423 ( -4.661 0.423 4.446) 6.456 32.316 ( 20.192 11.245 -1.634) 23.170 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -23.499 -0.000 3.398) 23.744 0.586 ( -20.368 -0.000 16.459) 26.187 1.099 ( -33.118 -0.000 37.888) 50.322 1.977 ( -4.723 -0.000 -5.668) 7.378 2.022 ( -1.818 -0.000 -8.687) 8.875 2.791 ( 1.825 0.000 0.208) 1.837 2.833 ( 8.317 0.000 -0.642) 8.342 2.838 ( 2.018 0.000 -1.412) 2.463 2.867 ( 5.940 0.000 0.701) 5.981 2.983 ( 8.900 0.000 0.231) 8.903 3.014 ( 5.616 0.000 -1.354) 5.777 3.071 ( 8.856 0.000 1.819) 9.041 3.105 ( 5.809 0.000 -2.713) 6.412 3.270 ( -1.295 -0.000 0.520) 1.395 3.273 ( -2.775 -0.000 -1.248) 3.042 3.362 ( -5.474 -0.000 -4.315) 6.970 3.392 ( -4.947 -0.000 2.568) 5.574 4.051 ( 1.846 0.000 0.083) 1.848 4.053 ( 0.740 0.000 2.330) 2.444 4.174 ( 4.525 0.000 -6.063) 7.565 4.289 ( -1.886 -0.000 1.786) 2.597 4.329 ( -1.923 -0.000 -4.394) 4.797 4.431 ( -5.246 -0.000 -7.664) 9.287 4.561 ( -1.952 -0.000 -4.717) 5.104 4.595 ( -6.945 -0.000 -7.962) 10.565 4.830 ( 2.368 0.000 -5.240) 5.750 4.960 ( -0.688 -0.000 -3.462) 3.530 5.071 ( -11.461 -0.000 -19.974) 23.029 5.200 ( -3.995 -0.000 5.053) 6.442 5.291 ( -1.347 -0.000 3.576) 3.821 5.401 ( -5.976 -0.000 -10.274) 11.885 5.504 ( 2.135 0.000 5.794) 6.175 5.518 ( -3.891 -0.000 -10.786) 11.466 5.719 ( 0.378 0.000 7.669) 7.678 6.116 ( 9.520 0.000 10.935) 14.499 6.451 ( 38.404 0.000 43.834) 58.278 7.745 ( 1.317 0.000 -9.032) 9.128 7.969 ( 2.459 0.000 6.449) 6.902 7.989 ( 7.425 0.000 -7.358) 10.453 8.190 ( 3.824 0.000 3.743) 5.351 8.222 ( 3.507 0.000 -0.229) 3.515 8.232 ( 4.645 0.000 0.795) 4.712 9.102 ( -1.385 -0.000 0.242) 1.406 9.135 ( -0.575 -0.000 -2.199) 2.273 9.305 ( -4.718 -0.000 -2.835) 5.505 9.509 ( -2.876 -0.000 -11.515) 11.868 9.517 ( -6.010 -0.000 2.911) 6.678 9.750 ( -2.720 -0.000 8.111) 8.555 9.827 ( -5.798 -0.000 0.928) 5.872 9.846 ( -7.919 -0.000 1.282) 8.022 10.176 ( -3.084 -0.000 -0.416) 3.112 10.253 ( -2.081 -0.000 1.670) 2.668 12.262 ( -2.757 -0.000 -0.909) 2.903 12.325 ( -2.288 -0.000 -0.193) 2.296 12.369 ( -7.502 -0.000 0.590) 7.526 12.929 ( -18.349 -0.000 -27.800) 33.309 13.121 ( 3.993 0.000 0.217) 3.999 13.123 ( 3.478 0.000 -0.451) 3.507 13.171 ( 1.706 0.000 -7.607) 7.796 13.434 ( 1.271 0.000 8.524) 8.618 13.583 ( 1.510 0.000 -8.810) 8.938 13.751 ( 3.029 0.000 6.534) 7.202 15.059 ( 10.091 0.000 18.652) 21.206 15.396 ( -0.692 -0.000 0.446) 0.823 15.487 ( 2.339 0.000 0.787) 2.468 15.523 ( 1.299 0.000 -1.922) 2.320 16.233 ( -0.254 -0.000 0.275) 0.374 16.243 ( -1.228 -0.000 -0.841) 1.489 19.938 ( -1.652 -0.000 1.142) 2.009 20.007 ( -1.387 -0.000 -3.604) 3.861 20.176 ( -1.502 -0.000 2.551) 2.960 20.465 ( -9.468 -0.000 -22.626) 24.527 26.019 ( -0.025 -0.000 -0.012) 0.028 26.020 ( 0.018 0.000 0.032) 0.037 26.430 ( 3.952 0.000 -0.464) 3.979 26.464 ( 1.329 0.000 -0.270) 1.356 26.599 ( -0.820 -0.000 0.871) 1.196 26.705 ( -9.717 -0.000 -20.045) 22.276 27.931 ( -5.008 -0.000 1.247) 5.161 27.950 ( -2.063 -0.000 0.604) 2.149 27.952 ( -2.098 -0.000 0.113) 2.101 28.031 ( -0.340 -0.000 -4.194) 4.208 28.077 ( -3.312 -0.000 -0.760) 3.399 28.442 ( -28.531 -0.000 -46.545) 54.593 30.302 ( 0.525 0.000 -1.296) 1.398 30.339 ( -1.735 -0.000 -0.571) 1.827 30.339 ( -1.506 -0.000 0.193) 1.519 30.382 ( -3.715 -0.000 1.024) 3.853 31.185 ( 59.293 0.000 97.389) 114.019 32.587 ( 15.835 0.000 -1.200) 15.880 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.415 0.000 26.490) 26.493 1.203 ( 0.636 0.000 26.348) 26.356 1.630 ( 0.335 0.000 -19.881) 19.884 1.647 ( 1.740 0.000 -17.551) 17.637 2.207 ( 5.001 0.000 53.500) 53.733 2.780 ( -0.873 -0.000 -0.565) 1.040 2.789 ( 0.379 0.000 -1.270) 1.325 2.901 ( -2.579 -0.000 -0.775) 2.693 2.908 ( 0.881 0.000 0.054) 0.883 3.061 ( 1.109 0.000 -19.997) 20.027 3.125 ( -2.529 -0.000 0.216) 2.538 3.129 ( 3.005 0.000 -0.448) 3.039 3.179 ( -5.227 -0.000 0.305) 5.236 3.195 ( 0.237 0.000 -1.842) 1.857 3.238 ( 5.939 0.000 0.244) 5.944 3.259 ( 6.701 0.000 -0.136) 6.702 3.263 ( -6.032 -0.000 -2.241) 6.435 3.358 ( -6.330 -0.000 -24.146) 24.962 4.089 ( 2.442 0.000 1.029) 2.650 4.095 ( -2.361 -0.000 0.583) 2.432 4.192 ( -5.103 -0.000 1.469) 5.310 4.240 ( 4.714 0.000 -3.199) 5.697 4.355 ( 1.810 0.000 1.378) 2.274 4.364 ( -1.352 -0.000 0.193) 1.366 4.541 ( 1.314 0.000 2.707) 3.009 4.628 ( -0.735 -0.000 -6.330) 6.372 4.851 ( -0.890 -0.000 2.237) 2.407 4.877 ( -0.502 -0.000 -0.866) 1.001 5.174 ( 1.971 0.000 -1.318) 2.371 5.200 ( -1.600 -0.000 -5.272) 5.510 5.495 ( -1.656 -0.000 5.843) 6.073 5.571 ( 0.450 0.000 -1.968) 2.019 5.617 ( -1.582 -0.000 14.552) 14.637 5.834 ( 3.569 0.000 -6.518) 7.431 6.793 ( -1.809 -0.000 24.306) 24.373 7.218 ( 2.359 0.000 -19.535) 19.677 7.607 ( 1.049 0.000 4.326) 4.451 7.773 ( 0.107 0.000 -11.561) 11.561 8.194 ( 0.847 0.000 5.114) 5.184 8.257 ( -0.668 -0.000 -1.560) 1.697 8.269 ( 0.046 0.000 0.495) 0.497 8.275 ( -0.742 -0.000 -0.158) 0.759 9.106 ( -0.989 -0.000 1.024) 1.424 9.124 ( 1.201 0.000 -0.863) 1.479 9.141 ( -1.513 -0.000 1.131) 1.889 9.216 ( 0.713 0.000 -6.736) 6.774 9.658 ( -1.157 -0.000 8.094) 8.176 9.751 ( 2.522 0.000 -1.537) 2.953 9.861 ( 2.421 0.000 3.786) 4.494 9.904 ( -2.053 -0.000 0.538) 2.122 10.077 ( -0.210 -0.000 -0.540) 0.580 10.118 ( -1.612 -0.000 -3.891) 4.212 12.196 ( -2.545 -0.000 0.166) 2.551 12.205 ( 2.138 0.000 -0.842) 2.298 12.327 ( -0.745 -0.000 0.590) 0.951 12.329 ( 0.461 0.000 0.512) 0.689 13.141 ( 1.639 0.000 2.480) 2.973 13.161 ( 0.325 0.000 -0.103) 0.340 13.172 ( 0.850 0.000 1.333) 1.581 13.288 ( -2.714 -0.000 -9.650) 10.025 13.725 ( 2.165 0.000 7.974) 8.262 13.827 ( -2.068 -0.000 -2.478) 3.227 15.356 ( -1.637 -0.000 -0.316) 1.667 15.360 ( 1.244 0.000 -0.751) 1.453 15.553 ( -0.588 -0.000 1.183) 1.321 15.565 ( 0.840 0.000 -0.024) 0.840 16.235 ( -0.461 -0.000 0.154) 0.486 16.237 ( 0.440 0.000 -0.053) 0.443 19.881 ( -2.170 -0.000 0.805) 2.314 19.918 ( 1.827 0.000 -2.878) 3.408 20.117 ( 2.366 0.000 2.945) 3.778 20.155 ( -2.134 -0.000 -0.986) 2.350 26.020 ( 0.045 0.000 0.021) 0.050 26.020 ( -0.055 -0.000 -0.013) 0.056 26.392 ( 0.280 0.000 1.172) 1.205 26.423 ( -0.056 -0.000 -2.002) 2.002 26.540 ( 2.604 0.000 2.047) 3.312 26.572 ( -2.119 -0.000 -1.194) 2.433 27.843 ( 3.023 0.000 -0.000) 3.023 27.847 ( -2.746 -0.000 -0.459) 2.784 27.938 ( -0.896 -0.000 0.313) 0.950 27.941 ( 0.792 0.000 -0.037) 0.793 28.069 ( 1.691 0.000 0.578) 1.787 28.074 ( -1.861 -0.000 0.116) 1.864 30.309 ( -0.670 -0.000 0.173) 0.692 30.314 ( 0.697 0.000 -0.311) 0.763 30.329 ( 2.225 0.000 0.102) 2.227 30.333 ( -2.276 -0.000 -0.300) 2.296 32.727 ( -0.657 -0.000 0.463) 0.804 32.736 ( 0.408 0.000 -0.507) 0.651 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 4.204 -4.977 21.474) 22.441 1.360 ( 2.068 -5.402 22.132) 22.875 1.589 ( 1.870 -3.389 -22.194) 22.529 1.628 ( 3.259 -3.071 -17.214) 17.787 2.509 ( 4.381 -3.140 36.701) 37.094 2.747 ( -2.655 1.742 3.070) 4.417 2.759 ( 0.445 3.421 -1.312) 3.690 2.835 ( -6.102 -0.368 -8.557) 10.516 2.893 ( -3.629 2.699 -0.224) 4.529 2.942 ( -0.913 5.765 -5.875) 8.282 2.972 ( -5.677 8.378 -0.908) 10.160 3.012 ( -0.300 6.147 -7.082) 9.382 3.075 ( -0.523 2.345 -1.385) 2.773 3.125 ( -1.233 6.500 -6.356) 9.174 3.252 ( 1.111 -0.943 -0.803) 1.664 3.297 ( 1.442 -3.953 -1.930) 4.629 3.419 ( 3.602 -8.459 -0.593) 9.213 3.451 ( 3.562 -9.846 -4.118) 11.251 4.022 ( -3.719 4.320 0.632) 5.736 4.092 ( 1.603 1.918 0.674) 2.589 4.211 ( -2.708 -4.170 -1.615) 5.228 4.299 ( 6.388 -1.860 0.361) 6.663 4.390 ( -0.010 -2.256 -1.047) 2.487 4.416 ( 3.557 -2.654 -0.143) 4.440 4.584 ( 2.104 -1.270 2.448) 3.469 4.635 ( 4.270 -2.617 -5.216) 7.231 4.843 ( -0.481 0.797 1.577) 1.831 4.873 ( 0.862 0.334 -1.260) 1.563 5.179 ( -0.878 -1.684 0.138) 1.904 5.235 ( 2.412 -3.401 -3.124) 5.210 5.457 ( -4.489 1.307 4.723) 6.646 5.541 ( -0.228 1.235 -1.091) 1.663 5.726 ( 0.440 -4.996 11.198) 12.270 5.884 ( 4.619 -3.484 -8.407) 10.205 6.611 ( -12.929 19.768 16.965) 29.081 6.805 ( -13.111 26.285 -11.314) 31.477 7.644 ( 0.219 -0.778 5.465) 5.525 7.715 ( -1.212 1.244 -9.802) 9.955 8.146 ( -4.661 7.094 3.257) 9.092 8.204 ( -2.938 3.725 -0.842) 4.819 8.239 ( -2.256 1.647 -0.095) 2.795 8.248 ( -0.611 2.829 -0.438) 2.927 9.061 ( -1.510 3.109 1.081) 3.622 9.125 ( 3.668 -1.650 -1.621) 4.336 9.180 ( 0.251 -3.543 1.835) 3.998 9.250 ( 3.003 -4.127 -5.049) 7.179 9.722 ( 2.355 -1.884 7.121) 7.734 9.796 ( 4.246 -1.718 -4.321) 6.297 9.958 ( 0.026 -6.101 1.232) 6.224 9.989 ( 2.115 -6.624 0.725) 6.991 10.137 ( 1.190 -3.775 -2.762) 4.827 10.151 ( 4.710 -6.731 2.058) 8.469 12.215 ( 0.350 -2.254 0.308) 2.301 12.309 ( 7.231 -0.851 -0.555) 7.303 12.432 ( 2.232 -14.457 -1.582) 14.714 12.487 ( 7.572 -11.747 -0.150) 13.977 13.109 ( -2.360 3.846 -0.507) 4.541 13.120 ( -0.721 3.493 0.313) 3.580 13.204 ( 1.035 -0.273 3.934) 4.077 13.236 ( -2.142 -1.021 -7.180) 7.562 13.731 ( -1.315 4.028 4.757) 6.371 13.761 ( -1.823 3.011 -1.686) 3.903 15.339 ( -2.264 0.831 0.447) 2.453 15.375 ( 1.480 -0.757 0.905) 1.893 15.496 ( -3.173 4.395 -0.313) 5.429 15.506 ( -1.959 4.554 0.453) 4.978 16.229 ( -0.398 -0.211 0.141) 0.472 16.239 ( 0.443 -0.392 -0.128) 0.605 19.889 ( -1.103 -1.599 2.297) 3.009 19.977 ( 3.117 -4.056 -4.242) 6.646 20.156 ( -0.670 -2.206 -0.624) 2.388 20.200 ( 5.237 -3.262 0.523) 6.192 26.019 ( -0.056 -0.003 0.025) 0.061 26.020 ( 0.037 -0.021 -0.020) 0.047 26.395 ( -0.020 0.803 0.777) 1.118 26.414 ( 0.081 0.064 -0.715) 0.723 26.548 ( -2.081 -0.208 -3.674) 4.228 26.562 ( 2.267 0.713 1.582) 2.855 27.837 ( 0.312 -0.076 -0.287) 0.431 27.886 ( 4.880 -0.148 -0.207) 4.887 27.961 ( -0.952 -2.631 1.228) 3.055 28.040 ( 3.830 -8.055 -2.532) 9.272 28.121 ( 0.506 -6.918 -0.966) 7.003 28.144 ( 3.775 -4.997 1.492) 6.438 30.290 ( -0.703 1.086 0.693) 1.468 30.324 ( 1.104 -0.573 -0.501) 1.341 30.337 ( -1.119 -1.696 -0.323) 2.057 30.394 ( 3.632 -4.245 -0.038) 5.587 32.395 ( -15.484 25.823 11.818) 32.346 32.502 ( -10.973 19.639 -6.141) 23.320 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.394 -9.859 -0.592) 9.885 1.585 ( 8.387 -7.490 10.057) 15.086 1.625 ( 5.333 -7.484 -10.902) 14.258 1.712 ( 5.175 -8.055 -3.613) 10.233 2.484 ( -6.437 9.027 4.434) 11.941 2.618 ( -11.491 8.272 0.814) 14.182 2.662 ( -1.676 9.038 -0.324) 9.198 2.697 ( -6.301 4.236 -0.575) 7.614 2.797 ( -0.987 2.737 -0.110) 2.911 2.839 ( -2.142 6.165 -1.915) 6.802 2.884 ( -1.438 6.007 1.748) 6.419 2.942 ( 0.766 1.021 -2.008) 2.380 3.085 ( 5.639 -5.725 -1.267) 8.135 3.115 ( 3.123 -3.313 -2.078) 5.005 3.254 ( 0.943 -0.429 4.312) 4.435 3.352 ( 1.079 -1.965 -1.396) 2.641 3.562 ( 1.376 -6.276 -1.585) 6.617 3.642 ( 4.110 -7.998 0.375) 9.000 3.922 ( -1.780 3.886 0.089) 4.275 4.076 ( 2.087 2.043 -0.126) 2.923 4.232 ( -0.272 -0.907 -2.033) 2.242 4.384 ( -1.059 -0.650 -1.312) 1.807 4.425 ( 5.529 -2.495 1.812) 6.331 4.495 ( 1.013 -3.832 2.484) 4.677 4.614 ( 0.118 0.257 1.882) 1.903 4.734 ( 6.029 -3.311 -4.856) 8.420 4.837 ( 0.401 -0.172 0.796) 0.908 4.888 ( 2.772 -0.394 0.798) 2.912 5.213 ( -1.058 -2.139 2.674) 3.584 5.284 ( 1.618 -1.934 -3.009) 3.926 5.463 ( -1.241 -3.558 -0.970) 3.891 5.524 ( -1.079 0.208 2.947) 3.145 5.815 ( -1.903 0.644 4.531) 4.956 5.940 ( 3.375 -1.120 -7.167) 8.001 6.178 ( -12.877 17.581 6.665) 22.789 6.232 ( -11.440 19.364 -3.603) 22.778 7.610 ( -2.316 3.005 -2.052) 4.313 7.704 ( 0.637 -0.614 1.486) 1.730 7.929 ( -8.110 9.921 1.441) 12.895 8.093 ( -3.554 5.167 0.673) 6.308 8.156 ( -1.589 4.871 -0.993) 5.219 8.196 ( -0.231 2.763 -1.075) 2.974 9.015 ( -2.567 0.020 0.041) 2.567 9.236 ( 6.358 -3.413 0.662) 7.246 9.260 ( 1.299 -4.694 3.048) 5.746 9.335 ( 2.497 -4.107 -4.449) 6.549 9.781 ( 1.332 -0.376 4.502) 4.710 9.862 ( 4.343 -2.982 -6.857) 8.647 10.062 ( 0.762 -4.936 3.016) 5.834 10.095 ( 1.991 -4.256 1.435) 4.912 10.225 ( 1.473 -5.987 -2.036) 6.493 10.350 ( 4.785 -8.084 0.598) 9.414 12.271 ( 1.191 -3.130 0.388) 3.371 12.372 ( 3.334 -1.935 -0.375) 3.873 12.702 ( 4.593 -11.333 -4.773) 13.127 12.739 ( 5.201 -7.287 3.614) 9.655 13.017 ( -1.863 3.036 0.362) 3.580 13.043 ( -1.163 4.057 0.159) 4.224 13.195 ( -1.968 -1.175 -3.483) 4.169 13.244 ( 0.491 -0.127 2.078) 2.139 13.603 ( -4.619 6.489 -1.419) 8.090 13.704 ( 0.058 4.224 2.788) 5.062 15.265 ( -4.725 4.124 0.946) 6.342 15.364 ( -1.278 4.062 -1.722) 4.594 15.429 ( -0.593 0.612 1.540) 1.760 15.445 ( 0.831 -0.266 -0.204) 0.896 16.247 ( 0.438 -1.696 0.360) 1.789 16.268 ( 1.368 -2.118 -0.244) 2.533 19.918 ( -1.151 -1.685 3.539) 4.085 20.044 ( 2.779 -1.994 -3.621) 4.981 20.195 ( 0.059 -3.450 -2.325) 4.161 20.301 ( 4.011 -2.143 1.702) 4.856 26.020 ( -0.028 -0.080 0.065) 0.106 26.020 ( 0.007 0.054 -0.078) 0.095 26.367 ( -1.382 1.919 2.251) 3.265 26.428 ( 1.113 -0.522 1.932) 2.290 26.506 ( -2.010 0.384 -5.714) 6.069 26.583 ( 2.479 -0.111 0.143) 2.485 27.839 ( 0.789 0.575 -0.200) 0.997 27.939 ( 3.815 -0.965 -0.638) 3.987 27.999 ( -0.770 -2.470 1.239) 2.869 28.209 ( 1.494 -9.054 0.498) 9.189 28.272 ( 6.534 -5.997 -3.268) 9.451 28.297 ( 2.110 -8.600 0.782) 8.889 30.275 ( -0.381 0.663 2.950) 3.047 30.351 ( -2.942 -3.194 -0.005) 4.342 30.353 ( 3.420 0.442 -0.951) 3.578 30.543 ( 5.876 -8.673 -1.276) 10.553 31.837 ( -16.390 27.512 19.220) 37.349 31.914 ( -15.232 26.959 -16.232) 34.961 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.341 -11.826 -9.307) 15.230 1.742 ( 7.732 -6.521 -9.954) 14.191 1.889 ( 5.284 -10.727 9.234) 15.108 1.949 ( 8.138 -10.058 5.017) 13.877 2.227 ( -7.568 12.166 4.977) 15.168 2.423 ( -7.043 5.843 7.001) 11.522 2.498 ( -3.465 6.547 -1.914) 7.651 2.545 ( -6.852 5.612 -1.990) 9.078 2.694 ( -1.367 6.477 -2.960) 7.252 2.728 ( 0.708 3.089 -4.027) 5.124 2.821 ( -1.327 1.432 1.757) 2.626 2.888 ( -0.842 4.269 -3.423) 5.537 3.138 ( 0.433 0.000 2.810) 2.843 3.245 ( 4.255 -8.475 -9.325) 13.300 3.359 ( 2.183 -1.745 0.184) 2.801 3.400 ( 2.061 -3.490 7.562) 8.580 3.624 ( -1.753 -1.080 -5.779) 6.135 3.757 ( 0.729 -2.468 5.293) 5.885 3.877 ( 0.675 0.988 -0.915) 1.507 4.065 ( 1.331 1.312 -0.294) 1.892 4.223 ( 0.682 0.585 -1.657) 1.885 4.411 ( 2.367 -3.188 -1.431) 4.221 4.490 ( 2.336 -0.633 -2.034) 3.161 4.569 ( -0.444 -2.903 4.899) 5.712 4.598 ( -2.176 0.812 3.181) 3.939 4.781 ( 3.042 1.157 -5.583) 6.462 4.867 ( 1.966 -1.159 2.143) 3.131 4.944 ( 3.584 -1.042 5.391) 6.557 5.231 ( -1.252 -0.426 3.450) 3.695 5.349 ( 1.916 -4.009 -1.437) 4.669 5.436 ( -3.904 3.829 -0.197) 5.471 5.537 ( -1.383 -0.199 -1.789) 2.269 5.617 ( -6.447 10.416 -2.227) 12.451 5.864 ( 2.508 7.295 -3.149) 8.332 5.937 ( -5.811 1.091 -4.873) 7.661 6.109 ( -2.032 -2.840 7.699) 8.454 7.541 ( -1.384 2.127 -0.032) 2.538 7.662 ( -3.734 4.750 -1.107) 6.142 7.781 ( -1.450 1.268 2.595) 3.231 7.987 ( -2.793 3.728 0.943) 4.753 8.069 ( -0.251 3.379 -1.160) 3.581 8.147 ( 0.385 2.469 -1.162) 2.755 9.007 ( -2.280 -1.767 -0.718) 2.972 9.304 ( 0.919 -1.413 1.796) 2.463 9.383 ( 2.828 -1.462 -0.257) 3.194 9.408 ( 3.684 -5.041 2.425) 6.698 9.800 ( -0.559 -0.303 -0.335) 0.719 9.895 ( 2.860 0.237 -6.446) 7.057 10.157 ( 1.263 -3.442 2.418) 4.392 10.188 ( 1.925 -2.980 5.233) 6.322 10.328 ( 1.766 -4.661 -1.151) 5.116 10.474 ( 0.846 -3.800 -3.720) 5.385 12.334 ( 1.353 -2.344 0.235) 2.716 12.434 ( 1.867 -2.249 -0.364) 2.946 12.786 ( -0.979 2.067 0.490) 2.339 12.828 ( 0.805 -2.314 -2.145) 3.256 12.981 ( -0.079 1.259 0.403) 1.324 13.028 ( 0.958 -1.469 1.645) 2.405 13.211 ( -0.112 -2.843 -0.221) 2.854 13.246 ( -0.372 -0.097 -0.111) 0.400 13.445 ( -3.514 6.444 -1.439) 7.479 13.650 ( 0.216 3.188 2.161) 3.858 15.157 ( -4.064 3.055 -0.059) 5.085 15.300 ( 0.038 1.722 -1.094) 2.040 15.416 ( -0.439 0.127 -0.041) 0.459 15.486 ( 1.540 -1.199 1.033) 2.208 16.283 ( 0.467 -1.534 0.151) 1.611 16.321 ( 1.363 -2.109 0.149) 2.516 19.946 ( -1.385 -1.313 4.035) 4.463 20.064 ( 1.534 0.185 -3.726) 4.034 20.251 ( 1.493 -3.366 -2.888) 4.680 20.352 ( 1.249 -0.037 2.833) 3.097 26.018 ( -0.020 0.105 -0.109) 0.153 26.022 ( 0.008 -0.124 0.083) 0.149 26.333 ( -0.947 2.031 4.115) 4.685 26.458 ( 0.119 -0.945 -2.530) 2.703 26.467 ( -0.729 -0.015 0.212) 0.759 26.614 ( 2.621 -1.049 -2.268) 3.621 27.833 ( 0.552 0.711 -0.259) 0.937 27.971 ( 0.115 -0.740 0.077) 0.753 28.045 ( 1.551 -2.076 -0.594) 2.658 28.328 ( -1.533 -3.984 2.017) 4.721 28.400 ( 3.929 -2.436 3.348) 5.708 28.457 ( 3.926 -8.514 -6.142) 11.208 30.298 ( 0.761 -1.170 8.145) 8.264 30.360 ( -1.996 -1.558 -0.692) 2.626 30.385 ( 2.279 -0.419 -0.058) 2.318 30.785 ( 8.246 -12.895 -3.760) 15.761 31.283 ( -12.380 21.610 -19.318) 31.519 31.352 ( -13.277 22.378 17.374) 31.288 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -2.339 9.451 2.651) 10.091 1.823 ( -4.220 2.094 -4.816) 6.737 1.977 ( 3.664 -3.406 -4.002) 6.407 2.177 ( 6.089 -5.880 8.195) 11.782 2.229 ( 5.301 -3.316 3.240) 7.043 2.334 ( -3.244 3.116 -1.026) 4.613 2.402 ( -1.296 -4.881 6.722) 8.408 2.424 ( -4.897 0.049 -4.191) 6.446 2.608 ( 2.025 1.268 -7.147) 7.535 2.696 ( 1.125 0.159 -3.789) 3.955 2.772 ( 0.713 2.601 1.797) 3.241 2.836 ( -1.039 -0.191 0.082) 1.059 3.173 ( 1.071 -2.182 -0.425) 2.467 3.310 ( -2.543 3.041 -1.508) 4.242 3.378 ( -0.720 1.220 -1.170) 1.837 3.444 ( -2.201 1.580 5.701) 6.312 3.548 ( 1.589 0.211 -5.097) 5.344 3.839 ( 0.894 -3.700 3.323) 5.053 3.864 ( 0.003 0.447 -1.004) 1.099 4.055 ( -0.320 0.385 0.260) 0.565 4.223 ( 0.942 -0.203 -2.171) 2.375 4.431 ( -2.995 2.065 2.926) 4.668 4.493 ( -1.126 0.017 -2.405) 2.656 4.631 ( 2.188 -2.702 3.390) 4.856 4.646 ( 2.863 -5.883 -5.062) 8.272 4.730 ( 0.195 3.345 -4.683) 5.758 4.906 ( 1.489 -0.128 0.976) 1.785 5.038 ( 2.870 -3.492 7.475) 8.735 5.250 ( -0.040 -1.567 1.866) 2.437 5.308 ( -5.136 3.192 3.561) 7.018 5.407 ( 0.742 -0.843 -0.213) 1.143 5.436 ( -0.829 3.350 -6.432) 7.299 5.541 ( 0.607 0.236 -0.459) 0.797 5.832 ( 1.861 2.939 -2.583) 4.332 5.854 ( -2.757 -0.035 -0.810) 2.874 6.162 ( -1.254 -1.246 5.658) 5.927 7.519 ( 0.120 -0.052 0.533) 0.549 7.587 ( -0.181 -0.038 -0.839) 0.859 7.790 ( 0.607 -1.126 0.229) 1.299 7.939 ( -0.846 0.088 1.350) 1.596 8.037 ( 1.206 0.553 -1.106) 1.727 8.119 ( 0.380 0.772 -0.478) 0.985 9.014 ( -1.307 -1.388 -1.346) 2.334 9.325 ( 0.296 0.326 1.680) 1.737 9.404 ( 0.676 -0.737 -3.731) 3.863 9.530 ( 2.722 -2.294 8.404) 9.127 9.758 ( -3.292 1.792 -8.284) 9.093 9.880 ( 1.900 1.885 -0.416) 2.708 10.198 ( -0.230 0.014 0.297) 0.376 10.269 ( 0.917 -1.534 7.995) 8.192 10.384 ( 0.325 -0.779 -0.594) 1.033 10.464 ( -1.951 1.787 -5.673) 6.260 12.364 ( 0.455 0.048 -0.030) 0.458 12.461 ( -0.505 0.210 0.047) 0.549 12.757 ( 0.142 -0.276 -0.282) 0.420 12.829 ( -0.355 0.598 0.141) 0.710 12.976 ( -0.543 0.109 0.291) 0.626 13.057 ( 1.007 -0.810 -0.236) 1.314 13.230 ( -0.691 0.618 2.090) 2.286 13.296 ( 1.730 -5.059 -1.752) 5.626 13.326 ( -1.012 3.834 -1.812) 4.359 13.628 ( 0.584 0.644 1.915) 2.103 15.091 ( -2.698 1.540 2.292) 3.861 15.294 ( 1.266 -0.698 -1.913) 2.398 15.414 ( -0.151 -0.290 -0.093) 0.340 15.510 ( 0.673 -0.112 0.249) 0.726 16.298 ( -0.215 0.027 0.184) 0.284 16.350 ( 0.212 -0.143 0.020) 0.257 19.968 ( -1.208 -0.947 4.190) 4.462 20.048 ( 0.693 1.153 -3.535) 3.782 20.285 ( -0.339 -0.142 -2.219) 2.249 20.374 ( 1.578 -1.289 0.593) 2.122 26.016 ( 0.012 0.043 -0.049) 0.067 26.024 ( -0.001 -0.050 0.016) 0.053 26.321 ( 0.694 1.145 4.472) 4.668 26.439 ( -0.904 -0.987 -5.804) 5.956 26.490 ( -0.594 -0.361 4.529) 4.582 26.644 ( 2.124 -1.400 -5.326) 5.903 27.828 ( 0.175 0.091 -0.202) 0.282 27.976 ( -0.409 -0.065 0.328) 0.528 28.074 ( 0.128 -0.500 -1.597) 1.678 28.343 ( -1.514 1.269 3.659) 4.158 28.433 ( -1.047 1.662 3.656) 4.150 28.585 ( 3.748 -5.052 -10.195) 11.979 30.359 ( -1.209 -0.589 -0.227) 1.364 30.385 ( 1.197 -0.666 2.795) 3.113 30.440 ( 3.306 -5.169 14.671) 15.903 30.773 ( -7.146 13.221 -15.940) 21.907 30.976 ( -9.844 16.251 12.916) 22.975 31.167 ( 10.557 -17.608 -6.837) 21.639 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -6.977 16.031 13.382) 22.017 1.593 ( -7.058 16.087 1.042) 17.598 2.040 ( -0.589 1.569 -7.131) 7.325 2.082 ( -4.796 7.625 -6.057) 10.855 2.313 ( 4.936 -1.436 2.177) 5.582 2.427 ( -0.479 -4.941 0.586) 4.999 2.477 ( 7.302 -9.526 2.450) 12.250 2.579 ( 4.414 -8.011 0.297) 9.152 2.649 ( 3.397 -5.611 -6.613) 9.315 2.718 ( 0.470 -3.927 -1.686) 4.299 2.818 ( 2.844 -3.005 2.796) 4.994 2.842 ( 0.138 -1.059 0.446) 1.158 3.069 ( -7.139 12.920 6.797) 16.251 3.216 ( 1.112 -1.839 -3.211) 3.864 3.345 ( -2.385 0.003 -0.246) 2.398 3.465 ( 0.025 -0.085 1.032) 1.036 3.554 ( 1.341 1.921 1.872) 2.999 3.867 ( 1.009 -1.245 -3.094) 3.485 3.891 ( -0.282 -1.481 -2.855) 3.228 4.050 ( -1.799 -0.842 0.907) 2.184 4.230 ( 0.497 -0.793 -2.084) 2.285 4.356 ( -3.223 2.283 0.811) 4.032 4.494 ( -1.511 -2.053 -1.291) 2.857 4.626 ( -2.822 3.260 -2.564) 5.016 4.679 ( -2.119 -0.592 3.261) 3.934 4.756 ( 5.351 -2.674 -9.881) 11.551 4.909 ( -0.073 0.419 -1.148) 1.224 5.063 ( -5.220 1.480 -4.077) 6.787 5.270 ( 2.020 -1.294 -0.514) 2.454 5.346 ( -2.438 1.804 1.837) 3.546 5.397 ( 0.569 -1.705 2.682) 3.229 5.437 ( 4.897 -5.500 2.656) 7.828 5.586 ( 6.142 -1.971 5.319) 8.361 5.753 ( -3.829 2.560 1.839) 4.960 5.905 ( 4.452 -4.724 1.089) 6.581 6.162 ( -0.952 1.590 2.707) 3.281 7.540 ( 1.789 -0.893 -0.582) 2.082 7.665 ( 4.160 -6.929 -0.470) 8.096 7.829 ( 1.975 -2.500 -1.962) 3.742 7.980 ( 1.310 -3.864 1.548) 4.364 8.060 ( 1.791 -1.784 -0.260) 2.541 8.128 ( 0.323 -1.582 0.380) 1.659 9.016 ( -0.138 -0.550 -1.728) 1.819 9.314 ( -0.059 1.819 1.458) 2.332 9.391 ( -0.164 0.769 -4.726) 4.791 9.557 ( -3.900 3.801 -3.374) 6.406 9.652 ( -2.047 1.777 2.586) 3.746 9.870 ( 0.858 1.540 1.844) 2.551 10.156 ( -2.224 3.444 0.762) 4.169 10.292 ( -0.180 2.577 1.963) 3.245 10.326 ( -6.181 4.565 -3.478) 8.434 10.386 ( 0.896 3.632 2.442) 4.468 12.340 ( -0.726 2.348 -0.362) 2.485 12.422 ( -2.339 2.466 0.782) 3.488 12.765 ( -1.637 3.045 1.593) 3.807 12.830 ( 1.378 -2.804 -1.353) 3.405 12.980 ( -0.005 -1.860 0.304) 1.885 13.070 ( 0.827 0.341 -2.205) 2.379 13.189 ( -0.411 3.542 -0.478) 3.598 13.313 ( 1.442 -2.176 -3.245) 4.164 13.403 ( 2.195 -5.380 1.530) 6.008 13.657 ( 1.025 -2.378 1.633) 3.061 15.077 ( -0.648 -0.272 6.166) 6.206 15.329 ( 2.072 -2.548 -2.477) 4.113 15.421 ( 0.158 -0.612 -0.560) 0.845 15.503 ( -0.412 0.945 -0.622) 1.204 16.280 ( -0.836 1.395 0.311) 1.656 16.328 ( -0.995 1.986 -0.494) 2.276 19.988 ( -0.526 -0.506 4.040) 4.105 20.015 ( 0.087 1.691 -2.904) 3.361 20.242 ( -2.565 1.931 -1.359) 3.486 20.414 ( 1.587 -1.146 -3.817) 4.290 26.017 ( 0.038 -0.057 0.031) 0.075 26.023 ( -0.009 0.069 -0.069) 0.098 26.346 ( 2.605 -0.151 4.037) 4.807 26.429 ( -0.870 -1.131 -4.437) 4.661 26.495 ( -2.129 -0.075 2.857) 3.564 26.655 ( 1.243 -1.058 -8.024) 8.188 27.833 ( -0.232 -0.808 -0.278) 0.885 27.967 ( -0.575 0.949 0.439) 1.193 28.053 ( -1.195 1.108 -1.556) 2.253 28.289 ( -3.822 4.505 5.670) 8.189 28.366 ( -1.213 5.599 0.793) 5.783 28.587 ( 0.139 2.008 -13.851) 13.996 30.352 ( -2.197 -0.662 0.047) 2.295 30.378 ( 1.671 2.472 -0.526) 3.030 30.495 ( -3.788 7.133 -10.126) 12.952 30.661 ( -4.149 5.168 11.252) 13.059 30.815 ( 6.046 -10.462 26.655) 29.266 31.600 ( 13.601 -22.738 -8.745) 27.901 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -7.721 13.423 19.380) 24.807 1.258 ( -2.828 16.670 14.938) 22.562 1.885 ( -5.358 4.869 -12.726) 14.642 1.902 ( -1.151 6.554 -12.169) 13.870 2.289 ( -6.482 13.633 27.167) 31.079 2.578 ( 7.714 -11.043 -4.206) 14.112 2.697 ( 4.758 -5.879 -0.832) 7.609 2.734 ( 4.610 -7.098 -2.846) 8.930 2.780 ( 5.604 -7.482 -2.183) 9.599 2.831 ( 0.713 -7.396 0.843) 7.478 2.888 ( 3.264 -3.104 0.565) 4.539 2.898 ( 0.132 -0.455 3.136) 3.172 2.940 ( 0.460 -3.520 0.445) 3.578 3.236 ( 0.508 -1.098 -4.291) 4.458 3.317 ( -2.781 0.530 0.237) 2.841 3.416 ( -1.603 3.792 -3.824) 5.619 3.522 ( -0.015 4.184 2.901) 5.091 3.811 ( -4.107 2.776 -15.808) 16.567 3.931 ( 2.429 -3.740 -0.902) 4.550 4.058 ( -2.629 -2.190 1.420) 3.705 4.235 ( 0.136 -0.151 -2.477) 2.485 4.335 ( 0.482 -0.495 1.867) 1.990 4.490 ( -4.911 -0.433 -2.993) 5.767 4.526 ( -2.171 3.971 -1.577) 4.793 4.651 ( -3.207 3.315 2.921) 5.459 4.748 ( -0.429 1.483 -11.305) 11.409 4.875 ( -1.051 1.708 -1.978) 2.817 4.960 ( -4.029 1.854 -5.124) 6.777 5.251 ( -2.716 4.294 -1.898) 5.423 5.288 ( 2.224 -0.694 -3.266) 4.012 5.412 ( -0.659 0.764 2.668) 2.853 5.555 ( 2.262 0.879 0.766) 2.545 5.690 ( -3.130 3.601 12.419) 13.304 5.810 ( 7.717 -8.155 8.613) 14.151 6.164 ( 2.859 -4.041 4.165) 6.469 6.215 ( 13.002 -21.879 3.594) 25.703 7.568 ( 1.750 -0.534 -0.325) 1.858 7.821 ( 2.247 -4.954 -7.222) 9.041 7.931 ( 7.447 -7.579 1.176) 10.691 8.086 ( 2.221 -5.013 1.101) 5.592 8.128 ( 1.417 -4.347 2.333) 5.133 8.179 ( 1.170 -3.274 0.078) 3.477 9.025 ( 0.892 -1.110 -1.264) 1.904 9.264 ( -1.464 4.813 0.473) 5.053 9.339 ( 0.221 3.312 -5.491) 6.416 9.360 ( -8.179 5.418 -8.432) 12.937 9.653 ( -2.055 1.048 10.255) 10.512 9.848 ( -0.332 2.291 0.881) 2.476 10.065 ( -2.389 4.809 2.053) 5.748 10.134 ( -3.974 9.649 -1.575) 10.553 10.217 ( -2.804 4.347 -0.815) 5.237 10.336 ( -2.021 4.018 1.978) 4.913 12.282 ( -0.981 3.042 -0.627) 3.257 12.358 ( -3.124 2.084 0.994) 3.885 12.620 ( -4.889 10.277 2.742) 11.707 12.857 ( -2.644 3.431 -7.245) 8.441 13.043 ( 0.956 -2.758 -1.199) 3.155 13.045 ( 1.029 -1.918 -1.343) 2.557 13.136 ( 1.572 2.506 0.454) 2.993 13.350 ( 0.604 -2.449 -6.633) 7.096 13.525 ( 2.756 -4.622 5.338) 7.580 13.732 ( 1.123 -4.432 0.688) 4.624 15.154 ( 3.070 -4.258 9.582) 10.925 15.393 ( 2.046 -2.829 -2.463) 4.272 15.433 ( 0.170 -1.310 -0.051) 1.322 15.475 ( -0.453 0.637 -1.766) 1.932 16.249 ( -0.718 1.265 0.176) 1.465 16.274 ( -1.213 2.495 -0.765) 2.877 19.969 ( -2.127 1.512 -0.547) 2.667 20.003 ( 2.031 1.352 0.694) 2.537 20.177 ( -3.336 1.634 -1.177) 3.897 20.381 ( -1.516 3.271 -6.899) 7.784 26.019 ( 0.015 -0.088 0.063) 0.109 26.021 ( 0.010 0.112 -0.085) 0.141 26.400 ( 2.856 -1.057 2.908) 4.211 26.420 ( -1.023 -0.559 -2.936) 3.159 26.480 ( -2.117 -0.235 0.554) 2.201 26.641 ( 0.498 -0.024 -7.992) 8.008 27.844 ( -0.635 -1.040 -0.716) 1.413 27.930 ( -3.079 1.220 0.283) 3.324 28.021 ( 0.857 1.839 -0.952) 2.242 28.161 ( -6.668 6.528 3.921) 10.121 28.245 ( 0.190 8.084 -0.505) 8.102 28.414 ( -4.373 9.526 -11.481) 15.546 30.335 ( -3.431 -0.070 -0.647) 3.492 30.344 ( 1.779 2.370 -0.854) 3.084 30.369 ( -0.146 3.111 -3.435) 4.637 30.500 ( -4.988 6.638 3.320) 8.943 31.434 ( 16.826 -29.893 35.813) 49.591 32.091 ( 13.965 -23.390 -8.436) 28.518 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.685 5.142 26.885) 27.503 1.148 ( 0.687 7.255 26.031) 27.031 1.729 ( -1.846 2.591 -16.361) 16.667 1.745 ( -0.933 4.235 -16.016) 16.593 2.117 ( -4.854 12.766 45.288) 47.303 2.755 ( 2.300 -4.369 -3.046) 5.802 2.771 ( 1.064 -1.643 -1.482) 2.455 2.866 ( 3.710 -1.810 1.353) 4.344 2.906 ( 0.822 -1.120 -0.037) 1.390 2.960 ( 5.365 -8.637 -0.241) 10.170 2.984 ( 4.807 -9.178 -1.853) 10.525 3.022 ( 4.623 -6.604 -1.970) 8.298 3.092 ( 1.129 -9.510 -0.933) 9.622 3.213 ( -1.135 0.625 -6.362) 6.493 3.269 ( -2.423 2.851 0.419) 3.765 3.312 ( -1.033 4.504 -4.940) 6.765 3.420 ( -3.102 6.982 0.016) 7.640 3.603 ( -6.558 5.601 -25.219) 26.653 4.026 ( 3.613 -3.507 0.084) 5.036 4.083 ( -2.583 -2.845 1.548) 4.143 4.227 ( 1.757 0.488 -3.006) 3.516 4.341 ( -2.672 6.630 -1.321) 7.269 4.359 ( -5.469 1.720 -1.794) 6.008 4.426 ( -2.199 4.167 -0.371) 4.726 4.556 ( -1.658 3.500 2.725) 4.736 4.674 ( -2.989 0.091 -7.121) 7.724 4.847 ( -0.991 -0.039 0.941) 1.368 4.899 ( -1.548 0.583 -3.029) 3.451 5.178 ( 0.110 1.958 -0.767) 2.105 5.269 ( -1.233 2.141 -6.185) 6.660 5.437 ( 1.311 -2.267 5.600) 6.182 5.550 ( 1.445 0.403 -0.176) 1.510 5.644 ( -3.066 3.982 12.996) 13.934 5.871 ( 1.309 3.768 -1.153) 4.152 6.496 ( 8.304 -16.908 18.943) 26.715 6.833 ( 18.455 -29.458 -4.073) 34.999 7.588 ( 0.945 -0.025 1.897) 2.120 7.826 ( 0.449 0.010 -11.750) 11.758 8.131 ( 3.952 -3.693 4.702) 7.167 8.192 ( 3.249 -5.337 -0.162) 6.250 8.237 ( 1.905 -4.431 0.941) 4.915 8.246 ( 1.473 -2.728 -0.362) 3.122 9.066 ( 0.752 -2.959 0.205) 3.060 9.130 ( -2.690 3.864 -1.919) 5.084 9.210 ( -4.287 3.733 -0.679) 5.725 9.271 ( -0.143 2.459 -7.679) 8.064 9.652 ( -2.775 0.567 9.732) 10.135 9.794 ( -1.304 3.025 -0.440) 3.323 9.938 ( -2.108 9.603 2.812) 10.226 9.977 ( -1.141 5.061 2.284) 5.668 10.122 ( -2.206 2.916 -1.796) 4.074 10.217 ( -4.879 5.159 -3.307) 7.833 12.226 ( -0.218 2.397 -0.694) 2.505 12.301 ( -6.578 0.507 0.225) 6.601 12.397 ( -1.737 10.982 1.227) 11.186 12.556 ( -9.962 16.126 -7.075) 20.232 13.096 ( 2.242 -2.224 -0.111) 3.160 13.125 ( 1.064 -3.241 -0.089) 3.412 13.145 ( 2.630 -0.217 1.778) 3.182 13.342 ( -1.346 -0.748 -9.105) 9.235 13.643 ( 2.953 -2.826 7.743) 8.756 13.811 ( 0.004 -3.596 -0.793) 3.682 15.312 ( 3.775 -4.073 4.164) 6.941 15.388 ( -1.796 1.194 -0.665) 2.257 15.488 ( 2.727 -3.844 -0.128) 4.715 15.510 ( 1.638 -3.378 0.361) 3.772 16.233 ( 0.132 0.402 -0.243) 0.488 16.236 ( -0.393 0.384 0.064) 0.553 19.920 ( -2.679 1.388 0.229) 3.026 19.972 ( 1.520 4.082 -4.195) 6.047 20.123 ( -2.329 1.236 1.170) 2.884 20.239 ( -4.089 5.758 -3.132) 7.726 26.020 ( 0.019 0.055 -0.010) 0.059 26.020 ( -0.010 -0.035 0.007) 0.038 26.399 ( -2.373 -0.105 -0.161) 2.381 26.431 ( 0.896 0.289 -1.801) 2.032 26.496 ( 2.015 -1.229 2.039) 3.119 26.606 ( -0.767 1.110 -3.780) 4.014 27.842 ( -0.683 0.092 -0.906) 1.139 27.885 ( -4.621 -0.314 -0.048) 4.632 27.988 ( 0.548 3.299 -0.470) 3.377 28.003 ( -2.681 6.519 0.036) 7.049 28.113 ( -0.257 6.445 0.001) 6.450 28.171 ( -5.171 7.910 -1.930) 9.645 30.307 ( -0.262 0.323 -0.587) 0.719 30.322 ( -1.838 -0.080 -0.696) 1.967 30.334 ( 2.255 2.308 -0.111) 3.228 30.387 ( -3.292 3.176 0.726) 4.631 32.290 ( 18.336 -32.770 18.935) 42.055 32.535 ( 10.178 -16.873 -4.277) 20.164 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.646 0.000 8.530) 9.713 1.433 ( 2.269 0.000 18.475) 18.613 1.520 ( 8.487 0.000 -18.470) 20.327 1.558 ( 2.045 0.000 -14.032) 14.180 2.647 ( -2.190 -0.000 19.607) 19.729 2.678 ( -3.706 -0.000 -17.983) 18.361 2.749 ( -4.189 -0.000 -1.824) 4.569 2.824 ( 1.797 0.000 14.967) 15.074 2.912 ( -0.934 -0.000 0.485) 1.052 2.918 ( -7.809 -0.000 -12.061) 14.368 2.984 ( -0.280 -0.000 -6.720) 6.726 2.999 ( -6.645 -0.000 -0.923) 6.709 3.087 ( -2.119 -0.000 6.359) 6.703 3.131 ( -7.972 -0.000 -0.470) 7.986 3.244 ( -0.541 -0.000 -0.328) 0.633 3.301 ( 6.572 0.000 -3.406) 7.402 3.397 ( 5.683 0.000 1.325) 5.836 3.422 ( 10.678 0.000 3.336) 11.187 4.033 ( -2.998 -0.000 -0.172) 3.003 4.101 ( -1.516 -0.000 1.060) 1.850 4.162 ( -0.044 -0.000 2.097) 2.097 4.344 ( 6.562 0.000 -1.553) 6.743 4.391 ( 3.802 0.000 1.701) 4.165 4.435 ( 4.070 0.000 -2.538) 4.797 4.617 ( 3.376 0.000 4.652) 5.748 4.641 ( 7.293 0.000 -7.249) 10.283 4.860 ( -0.497 -0.000 3.056) 3.096 4.887 ( 1.782 0.000 0.223) 1.796 5.159 ( 0.563 0.000 -2.423) 2.488 5.214 ( 2.413 0.000 0.429) 2.451 5.464 ( -4.879 -0.000 4.638) 6.732 5.498 ( -3.966 -0.000 -1.701) 4.316 5.746 ( 2.854 0.000 8.839) 9.289 5.868 ( 6.555 0.000 -11.874) 13.564 6.662 ( -25.770 -0.000 15.562) 30.105 6.783 ( -25.530 -0.000 -14.488) 29.354 7.649 ( -1.525 -0.000 6.914) 7.080 7.680 ( -1.001 -0.000 -8.705) 8.762 8.144 ( -8.674 -0.000 -1.735) 8.846 8.179 ( -5.660 -0.000 1.333) 5.815 8.245 ( -2.710 -0.000 1.473) 3.084 8.251 ( -2.886 -0.000 -0.069) 2.887 9.095 ( 0.827 0.000 -0.309) 0.883 9.118 ( 0.089 0.000 0.132) 0.159 9.186 ( 3.960 0.000 2.338) 4.598 9.234 ( 4.792 0.000 -2.529) 5.418 9.760 ( 3.842 0.000 6.266) 7.350 9.822 ( 3.267 0.000 -7.101) 7.816 9.904 ( 4.750 0.000 -0.991) 4.853 9.975 ( 6.052 0.000 1.637) 6.270 10.130 ( 4.761 0.000 -3.000) 5.628 10.169 ( 8.070 0.000 4.446) 9.213 12.268 ( 5.144 0.000 -1.665) 5.407 12.294 ( 3.692 0.000 0.879) 3.795 12.415 ( 11.128 0.000 -2.494) 11.404 12.469 ( 14.358 0.000 3.341) 14.741 13.115 ( -4.065 -0.000 0.257) 4.073 13.128 ( -3.006 -0.000 -1.076) 3.193 13.163 ( -3.130 -0.000 -6.692) 7.388 13.239 ( 1.606 0.000 6.186) 6.391 13.730 ( -4.329 -0.000 -4.699) 6.389 13.783 ( -2.095 -0.000 5.551) 5.933 15.330 ( -1.229 -0.000 -0.696) 1.412 15.378 ( 0.232 0.000 1.467) 1.486 15.488 ( -5.701 -0.000 -0.606) 5.733 15.514 ( -4.660 -0.000 0.344) 4.673 16.224 ( -0.155 -0.000 0.123) 0.198 16.239 ( 0.300 0.000 -0.043) 0.303 19.884 ( 0.915 0.000 1.415) 1.685 19.958 ( 3.727 0.000 -1.290) 3.944 20.150 ( 2.331 0.000 0.106) 2.333 20.228 ( 5.949 0.000 -0.559) 5.976 26.019 ( -0.049 -0.000 0.004) 0.049 26.021 ( 0.032 0.000 0.016) 0.036 26.408 ( -0.112 -0.000 0.439) 0.453 26.413 ( 0.773 0.000 -0.792) 1.106 26.506 ( -3.150 -0.000 -1.935) 3.697 26.600 ( 2.266 0.000 0.824) 2.411 27.864 ( 4.142 0.000 0.590) 4.184 27.928 ( 1.899 0.000 0.026) 1.899 27.961 ( 1.235 0.000 0.034) 1.235 27.993 ( 8.554 0.000 -1.222) 8.641 28.074 ( 2.299 0.000 -0.477) 2.348 28.153 ( 6.163 0.000 0.681) 6.201 30.292 ( -1.580 -0.000 -1.065) 1.905 30.311 ( 0.705 0.000 0.497) 0.863 30.343 ( 2.166 0.000 0.005) 2.166 30.395 ( 4.667 0.000 0.438) 4.688 32.430 ( -27.440 -0.000 9.521) 29.045 32.479 ( -24.385 -0.000 -7.470) 25.504 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.422 -3.186 -17.977) 18.313 1.523 ( 6.791 -6.480 -19.966) 22.062 1.623 ( 6.385 -4.144 12.711) 14.816 1.665 ( 10.083 -4.234 12.663) 16.732 2.572 ( -3.156 3.781 -0.542) 4.955 2.579 ( -14.999 6.605 -1.852) 16.493 2.655 ( -5.813 0.376 -1.643) 6.053 2.784 ( -2.955 6.054 -0.869) 6.793 2.837 ( -4.353 2.578 1.318) 5.228 2.892 ( -3.887 -0.123 -0.410) 3.910 2.904 ( -0.899 2.639 -0.163) 2.793 2.976 ( 4.428 -0.555 -10.706) 11.599 3.002 ( -5.495 3.152 -3.291) 7.139 3.181 ( 4.981 -1.358 10.497) 11.698 3.268 ( -1.420 -3.572 3.588) 5.259 3.328 ( 3.639 1.492 -0.170) 3.936 3.490 ( 2.690 -4.135 -0.642) 4.974 3.605 ( 10.575 -5.131 8.126) 14.290 3.973 ( -1.591 3.458 -0.187) 3.811 4.092 ( -1.430 -0.195 0.505) 1.529 4.199 ( 0.457 -2.608 1.378) 2.984 4.412 ( 2.513 2.666 -0.219) 3.670 4.435 ( 3.915 -3.626 0.181) 5.339 4.475 ( 4.967 -1.059 2.270) 5.563 4.653 ( 2.579 1.605 2.699) 4.063 4.718 ( 6.341 -2.899 -5.540) 8.906 4.848 ( -0.702 1.126 2.382) 2.726 4.914 ( 2.974 -0.498 1.451) 3.346 5.181 ( 1.313 -2.093 1.373) 2.827 5.278 ( 2.878 -2.324 -1.276) 3.913 5.404 ( -2.007 -0.323 2.024) 2.869 5.495 ( -3.753 -1.639 -0.477) 4.123 5.812 ( 1.666 -1.502 4.368) 4.910 5.897 ( 2.716 -1.997 -11.599) 12.079 6.299 ( -24.375 14.638 2.496) 28.542 6.368 ( -19.603 13.106 -4.009) 23.919 7.625 ( -1.367 1.753 -4.585) 5.096 7.680 ( -2.697 -2.293 5.791) 6.787 8.002 ( -9.195 6.666 -0.774) 11.383 8.103 ( -6.407 1.599 0.356) 6.613 8.180 ( -4.467 2.195 1.478) 5.192 8.198 ( -3.649 2.457 -1.311) 4.590 9.050 ( 0.526 3.806 0.533) 3.879 9.206 ( 3.716 -5.919 0.354) 6.998 9.250 ( 4.577 -1.436 1.842) 5.139 9.306 ( 5.480 -2.504 0.235) 6.030 9.796 ( 0.761 -0.150 0.258) 0.818 9.854 ( 5.206 -1.659 -3.923) 6.726 10.005 ( 3.541 -5.239 3.018) 7.007 10.052 ( 5.147 -2.132 -2.573) 6.136 10.197 ( 6.147 -2.774 -1.426) 6.893 10.306 ( 7.321 -3.783 2.262) 8.545 12.280 ( 4.991 0.189 0.180) 4.998 12.380 ( 2.458 -2.084 -0.528) 3.266 12.579 ( 10.966 -7.624 -4.409) 14.065 12.706 ( 10.804 -6.687 5.979) 14.042 13.037 ( -4.539 2.955 -0.050) 5.416 13.074 ( -3.899 2.419 0.162) 4.591 13.127 ( -2.301 -1.658 -5.501) 6.189 13.272 ( 0.505 0.511 5.977) 6.020 13.637 ( -4.304 3.787 -3.839) 6.900 13.751 ( -3.771 2.050 2.962) 5.215 15.274 ( -4.213 2.908 -3.159) 6.015 15.385 ( -2.963 0.907 0.913) 3.230 15.431 ( -1.296 -0.102 2.030) 2.411 15.456 ( -1.851 1.553 -0.399) 2.449 16.236 ( 1.167 -0.799 0.501) 1.501 16.254 ( 1.484 -1.144 -0.234) 1.888 19.907 ( 0.919 -0.662 2.362) 2.620 20.018 ( 3.002 -2.641 -1.517) 4.277 20.181 ( 3.194 -0.173 1.287) 3.448 20.300 ( 3.848 -2.509 -0.616) 4.635 26.019 ( -0.038 -0.026 0.057) 0.073 26.021 ( 0.034 0.016 -0.043) 0.057 26.396 ( -0.283 1.262 0.895) 1.573 26.428 ( 0.396 -0.960 1.591) 1.900 26.468 ( -2.571 0.209 -2.817) 3.820 26.613 ( 2.082 0.966 0.546) 2.360 27.889 ( 4.335 1.983 0.545) 4.798 27.964 ( 1.466 -2.491 1.252) 3.149 28.014 ( 6.534 2.200 -0.686) 6.928 28.078 ( 1.705 -6.950 0.675) 7.188 28.158 ( 4.314 -5.951 -2.580) 7.790 28.274 ( 7.240 -4.828 1.382) 8.812 30.283 ( -1.690 -1.124 -1.083) 2.301 30.304 ( 0.337 1.028 1.913) 2.197 30.397 ( 4.765 -1.542 -0.364) 5.022 30.476 ( 5.506 -3.936 -0.206) 6.771 32.013 ( -27.992 16.403 -17.031) 36.643 32.060 ( -27.106 15.150 14.210) 34.149 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.687 -12.071 -10.747) 17.491 1.652 ( 9.957 -8.498 -18.579) 22.728 1.827 ( 5.292 -7.150 10.878) 14.052 1.915 ( 10.656 -6.652 11.325) 16.913 2.302 ( -13.087 7.312 1.342) 15.051 2.465 ( -6.736 4.499 5.185) 9.618 2.549 ( -5.473 4.671 -1.104) 7.279 2.605 ( -6.217 9.128 0.315) 11.049 2.748 ( -2.667 2.770 -4.107) 5.626 2.780 ( -5.436 5.743 -1.131) 7.988 2.862 ( 0.891 2.474 1.555) 3.055 2.922 ( 0.486 2.869 -2.579) 3.888 3.107 ( 9.248 -9.581 -14.118) 19.407 3.194 ( 0.060 2.695 2.669) 3.793 3.333 ( -1.309 -1.099 -0.092) 1.712 3.386 ( 2.636 -3.811 8.135) 9.362 3.555 ( -0.251 -2.937 -3.109) 4.284 3.790 ( 7.009 -1.144 7.541) 10.359 3.911 ( 0.337 2.542 -0.681) 2.653 4.082 ( -0.738 0.271 -0.496) 0.929 4.261 ( 2.989 -1.573 -0.254) 3.388 4.377 ( 2.069 0.685 -1.413) 2.598 4.512 ( -0.850 -1.783 2.378) 3.091 4.534 ( 2.333 0.159 3.179) 3.946 4.627 ( -1.499 3.059 3.517) 4.897 4.779 ( 2.017 -1.334 -4.775) 5.352 4.865 ( 0.891 -1.876 2.582) 3.313 4.970 ( 2.412 -1.344 5.273) 5.952 5.247 ( 2.599 -1.287 3.474) 4.526 5.318 ( 3.776 -1.860 -2.113) 4.710 5.446 ( -4.207 2.221 -2.026) 5.170 5.473 ( -0.964 -4.764 1.890) 5.215 5.713 ( -10.574 11.555 -6.407) 16.923 5.877 ( -0.046 -0.858 -8.516) 8.560 5.945 ( -10.751 5.439 0.936) 12.085 6.104 ( -1.863 2.690 3.319) 4.660 7.566 ( -0.998 2.055 -2.091) 3.097 7.692 ( -3.428 0.560 2.777) 4.447 7.802 ( -5.423 6.068 1.205) 8.227 8.010 ( -4.953 2.779 0.606) 5.711 8.105 ( -2.905 2.703 -0.748) 4.038 8.121 ( -5.604 0.353 -1.406) 5.788 9.016 ( 1.925 1.981 1.727) 3.258 9.309 ( 2.771 -1.040 3.363) 4.480 9.331 ( 1.752 -4.334 -3.848) 6.054 9.426 ( 6.631 -3.321 6.540) 9.888 9.788 ( 0.189 0.351 -5.867) 5.880 9.915 ( 3.952 -0.611 -1.067) 4.139 10.122 ( 3.727 -2.675 -3.492) 5.766 10.143 ( 1.913 -5.376 6.246) 8.460 10.317 ( 6.868 -3.685 0.279) 7.799 10.406 ( 1.900 -2.686 -3.196) 4.587 12.345 ( 5.870 -1.077 0.021) 5.969 12.441 ( 4.460 -1.477 -0.444) 4.719 12.751 ( 3.250 -5.668 -3.899) 7.608 12.835 ( 0.759 1.905 3.596) 4.139 12.976 ( -4.130 -1.180 1.900) 4.697 12.995 ( -3.744 1.326 -0.119) 3.973 13.143 ( 0.297 -3.606 -3.259) 4.870 13.271 ( -0.667 1.828 4.500) 4.902 13.507 ( -3.341 5.442 -2.191) 6.751 13.682 ( -3.852 2.095 0.638) 4.431 15.169 ( -2.927 2.936 -2.731) 4.964 15.323 ( -2.168 2.117 0.443) 3.063 15.420 ( -0.531 0.633 0.666) 1.062 15.475 ( 0.747 -1.827 0.884) 2.163 16.271 ( 1.655 -1.231 0.354) 2.093 16.302 ( 2.041 -2.139 0.058) 2.958 19.936 ( 0.304 -0.689 2.991) 3.085 20.065 ( 1.953 -0.873 -2.436) 3.242 20.227 ( 2.831 -1.279 0.908) 3.237 20.357 ( 0.731 -1.331 0.743) 1.691 26.019 ( -0.044 -0.003 0.002) 0.044 26.021 ( 0.041 -0.008 -0.005) 0.042 26.372 ( -0.367 1.231 0.374) 1.338 26.432 ( -1.069 0.769 -2.060) 2.445 26.459 ( -0.790 -1.330 3.879) 4.176 26.619 ( 1.761 0.442 -0.565) 1.902 27.894 ( 4.518 2.871 0.488) 5.375 28.012 ( 2.504 0.376 0.344) 2.555 28.041 ( 6.166 0.513 -0.667) 6.223 28.219 ( -0.854 -7.570 1.700) 7.805 28.311 ( 2.241 -9.268 -2.890) 9.964 28.409 ( 4.061 -2.860 2.828) 5.716 30.285 ( -2.649 -1.963 -1.011) 3.449 30.318 ( 0.856 -0.758 6.018) 6.126 30.463 ( 7.812 0.976 -0.339) 7.880 30.640 ( 5.630 -9.962 -2.649) 11.745 31.381 ( -21.193 18.464 -23.448) 36.604 31.594 ( -21.912 18.207 15.727) 32.542 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 7.227 -8.530 -1.237) 11.249 1.831 ( 10.502 -7.627 -13.531) 18.749 1.949 ( -4.223 4.496 4.903) 7.880 2.102 ( 2.594 -8.489 4.969) 10.173 2.243 ( 3.489 -4.136 5.777) 7.915 2.348 ( -7.895 3.452 5.189) 10.058 2.400 ( -2.582 6.360 0.956) 6.931 2.418 ( -3.793 4.517 -1.268) 6.033 2.653 ( -0.553 3.243 -3.043) 4.481 2.688 ( -2.099 1.144 -2.307) 3.322 2.828 ( -2.037 2.930 -4.863) 6.032 2.855 ( 3.224 3.322 1.562) 4.885 3.179 ( 0.518 0.474 3.045) 3.125 3.283 ( 4.408 -3.695 -3.363) 6.663 3.342 ( -1.075 -3.116 -2.400) 4.077 3.472 ( 0.365 -1.253 3.845) 4.061 3.546 ( 0.046 0.963 -5.094) 5.184 3.836 ( 1.549 0.679 3.755) 4.119 3.885 ( 1.172 1.656 -0.732) 2.157 4.060 ( -1.332 0.900 -0.512) 1.687 4.271 ( 4.757 2.975 -0.848) 5.675 4.448 ( -0.890 0.137 0.972) 1.325 4.490 ( -0.030 -0.791 -1.430) 1.635 4.571 ( -0.516 -2.161 2.419) 3.284 4.589 ( -2.085 -1.658 3.339) 4.272 4.757 ( -0.765 2.087 -3.955) 4.537 4.910 ( 0.722 -0.917 0.242) 1.192 5.045 ( 0.497 -1.846 7.856) 8.086 5.255 ( -2.373 2.875 -2.923) 4.737 5.310 ( -5.760 2.038 5.136) 7.982 5.407 ( 3.336 -1.335 0.805) 3.682 5.474 ( 0.116 4.223 -6.834) 8.034 5.531 ( 0.943 -1.806 -1.043) 2.289 5.811 ( -4.577 0.618 -1.341) 4.809 5.883 ( 2.599 0.899 -4.359) 5.154 6.132 ( -1.603 -2.828 5.430) 6.328 7.530 ( 0.376 0.944 -0.526) 1.145 7.619 ( 0.042 3.405 0.172) 3.410 7.750 ( -3.456 -1.690 1.099) 4.001 7.939 ( -2.610 1.247 1.336) 3.186 8.046 ( -1.021 1.212 -2.621) 3.062 8.066 ( -6.705 -1.711 -0.778) 6.964 9.027 ( 3.139 1.018 2.412) 4.087 9.347 ( 2.029 0.167 1.338) 2.436 9.375 ( 0.189 -1.606 -2.703) 3.150 9.563 ( 4.147 -2.203 8.692) 9.879 9.738 ( -0.877 1.972 -8.260) 8.537 9.935 ( 3.592 1.720 -1.173) 4.152 10.170 ( -0.164 -2.140 -2.748) 3.486 10.266 ( 2.046 -3.420 8.013) 8.949 10.394 ( -0.567 1.162 -2.610) 2.913 10.439 ( 3.514 -2.551 -2.462) 4.992 12.409 ( 6.311 0.994 -0.511) 6.409 12.496 ( 4.792 0.886 0.175) 4.876 12.773 ( -0.397 2.291 0.130) 2.328 12.808 ( -2.234 -1.276 -0.528) 2.626 12.945 ( -4.170 -0.738 0.709) 4.294 12.995 ( -4.677 -3.723 0.085) 5.979 13.216 ( 1.116 -4.799 -2.203) 5.397 13.249 ( -0.331 1.202 3.809) 4.008 13.388 ( -1.324 4.974 -1.702) 5.421 13.625 ( -3.479 0.344 -0.438) 3.523 15.110 ( -0.797 1.808 1.439) 2.444 15.291 ( -0.066 0.307 -1.319) 1.356 15.413 ( -0.054 0.170 0.550) 0.578 15.504 ( -0.128 -1.004 -0.195) 1.031 16.301 ( 1.205 -0.374 0.299) 1.297 16.347 ( 1.085 -1.008 -0.013) 1.481 19.960 ( -0.214 -0.687 3.447) 3.522 20.070 ( 1.719 1.013 -2.599) 3.277 20.273 ( 1.101 -0.873 -0.297) 1.436 20.370 ( -0.232 -0.446 0.222) 0.550 26.018 ( 0.064 0.087 -0.094) 0.143 26.022 ( -0.055 -0.109 0.078) 0.145 26.363 ( 1.354 0.218 -0.327) 1.410 26.407 ( -0.691 0.700 -0.150) 0.995 26.477 ( -2.685 -0.948 3.430) 4.458 26.625 ( 1.102 -0.168 -2.759) 2.975 27.885 ( 4.687 3.461 -0.096) 5.827 28.030 ( 5.384 2.020 0.813) 5.808 28.072 ( 1.650 0.706 -0.720) 1.934 28.315 ( -1.304 -4.257 1.847) 4.821 28.450 ( -2.169 -1.403 6.096) 6.620 28.467 ( 1.793 -6.153 -7.289) 9.706 30.287 ( -3.329 -2.073 -0.493) 3.953 30.413 ( 2.338 -5.054 12.966) 14.111 30.507 ( 8.481 3.125 -0.176) 9.040 30.817 ( -5.826 5.398 -15.473) 17.393 30.947 ( -0.038 -8.357 -11.146) 13.931 31.177 ( -16.294 15.907 12.719) 26.083 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -2.349 14.304 8.442) 16.774 1.782 ( 0.935 8.853 1.531) 9.033 2.019 ( 3.361 -3.835 -4.916) 7.083 2.128 ( -6.109 6.548 -7.207) 11.495 2.223 ( -1.788 -5.683 -6.345) 8.704 2.348 ( -0.363 -3.769 1.522) 4.081 2.444 ( 5.305 -6.087 6.059) 10.095 2.474 ( 1.888 -7.912 5.335) 9.728 2.618 ( 3.959 1.214 -5.371) 6.782 2.663 ( -1.667 -1.673 -3.291) 4.051 2.798 ( 1.084 -2.746 -0.389) 2.978 2.856 ( 2.655 1.147 0.880) 3.023 3.192 ( 1.769 1.083 -0.529) 2.141 3.275 ( -1.451 9.118 3.356) 9.824 3.289 ( -6.519 -0.681 0.134) 6.556 3.470 ( 0.048 0.309 1.794) 1.821 3.593 ( 5.089 -1.386 0.160) 5.277 3.857 ( -1.329 -0.906 0.426) 1.664 3.875 ( 2.346 0.612 -1.577) 2.892 4.027 ( -2.536 0.585 -0.168) 2.608 4.266 ( 4.926 2.761 -1.038) 5.741 4.366 ( -4.532 2.383 2.490) 5.694 4.482 ( 0.714 1.382 -0.317) 1.588 4.583 ( -5.750 -0.950 0.672) 5.866 4.687 ( 0.204 0.699 0.223) 0.761 4.705 ( 2.490 -4.550 -7.066) 8.766 4.907 ( -0.542 0.478 -2.346) 2.455 5.015 ( -6.118 1.976 -4.199) 7.679 5.240 ( -0.876 -4.015 4.431) 6.043 5.338 ( -0.018 -4.927 8.097) 9.479 5.403 ( 1.608 4.081 -1.781) 4.734 5.465 ( 5.183 0.669 -1.895) 5.558 5.588 ( 3.737 -3.985 -0.269) 5.469 5.744 ( -4.596 1.385 -1.125) 4.930 5.909 ( 3.269 -0.614 2.589) 4.215 6.166 ( -2.138 -0.970 3.278) 4.032 7.548 ( 3.209 -0.896 -0.788) 3.424 7.622 ( 2.559 -2.169 0.115) 3.357 7.770 ( -1.250 -3.694 -0.908) 4.004 7.937 ( -0.716 -2.150 2.150) 3.124 8.020 ( -4.036 -2.319 -2.373) 5.225 8.056 ( -2.753 -3.069 -0.867) 4.213 9.050 ( 3.900 1.641 2.456) 4.892 9.353 ( 1.127 1.504 1.215) 2.238 9.373 ( -1.012 -0.172 -3.848) 3.982 9.576 ( -2.234 4.198 -7.125) 8.566 9.695 ( 1.317 1.130 7.342) 7.544 9.928 ( 3.873 2.588 -1.897) 5.029 10.161 ( -3.523 0.409 -0.416) 3.571 10.309 ( -4.434 2.240 -6.499) 8.180 10.348 ( 2.133 0.726 7.228) 7.571 10.471 ( 2.704 2.663 1.003) 3.926 12.413 ( 4.462 4.374 -0.732) 6.291 12.483 ( 1.671 4.714 0.857) 5.075 12.773 ( 1.653 -1.153 0.036) 2.016 12.806 ( -1.699 -1.243 0.492) 2.162 12.928 ( -3.716 -2.156 0.354) 4.310 13.015 ( -4.226 -3.718 -1.513) 5.829 13.226 ( -1.272 1.263 1.570) 2.382 13.305 ( 1.363 -0.036 -4.744) 4.936 13.343 ( 2.555 -3.723 3.102) 5.478 13.607 ( -3.024 -2.475 -0.869) 4.003 15.101 ( 0.297 0.567 5.839) 5.874 15.298 ( 0.994 -1.524 -2.956) 3.471 15.416 ( 0.302 -0.149 0.265) 0.428 15.502 ( -1.043 0.165 -1.281) 1.660 16.303 ( 0.399 1.267 0.531) 1.430 16.348 ( -0.216 1.204 -0.483) 1.315 19.979 ( -1.362 -0.571 3.734) 4.015 20.055 ( 2.841 1.743 -2.728) 4.307 20.255 ( -1.510 2.104 0.009) 2.590 20.387 ( 0.438 -1.428 -2.650) 3.043 26.017 ( 0.114 0.033 -0.028) 0.122 26.023 ( -0.090 -0.049 -0.003) 0.102 26.387 ( 1.833 -1.370 -4.007) 4.615 26.398 ( 1.212 0.952 4.623) 4.873 26.464 ( -4.520 -0.630 1.601) 4.836 26.622 ( 0.367 -0.392 -5.111) 5.139 27.873 ( 4.431 2.995 -0.461) 5.368 28.027 ( 1.134 3.963 -0.692) 4.180 28.067 ( 3.374 0.895 1.145) 3.674 28.327 ( -4.610 2.216 5.467) 7.487 28.419 ( -1.405 2.005 0.948) 2.625 28.535 ( -0.332 -2.958 -9.361) 9.823 30.286 ( -3.400 -1.838 0.274) 3.875 30.491 ( 2.052 5.492 -5.092) 7.765 30.545 ( 1.073 7.097 -8.458) 11.093 30.658 ( 2.102 -10.690 19.864) 22.655 30.862 ( -9.784 8.915 10.763) 17.060 31.275 ( 6.614 -22.429 -9.862) 25.378 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.917 15.905 13.406) 20.822 1.566 ( -0.423 16.174 9.496) 18.760 1.897 ( -3.071 7.440 -11.627) 14.141 1.951 ( -2.912 6.407 -12.024) 13.932 2.397 ( 3.114 -13.080 -1.396) 13.518 2.464 ( -1.073 -3.579 7.218) 8.128 2.607 ( 4.828 -7.226 2.643) 9.084 2.649 ( 2.219 -7.381 0.001) 7.708 2.678 ( 2.547 -7.500 -2.272) 8.239 2.696 ( -0.284 -5.411 -3.061) 6.224 2.861 ( -0.041 -1.924 1.369) 2.362 2.882 ( 2.918 -1.139 -0.272) 3.144 3.048 ( -2.521 11.796 10.215) 15.807 3.228 ( 3.306 0.221 -5.475) 6.399 3.268 ( -4.909 -2.300 1.916) 5.750 3.433 ( -1.880 2.599 -5.256) 6.157 3.618 ( 2.491 3.927 4.006) 6.138 3.800 ( -2.961 4.140 -7.101) 8.737 3.911 ( 4.373 -1.770 -1.021) 4.827 3.993 ( -4.555 -1.023 0.204) 4.673 4.267 ( 4.411 2.409 -0.655) 5.069 4.361 ( 1.872 -1.405 3.904) 4.552 4.444 ( -2.902 2.229 -2.543) 4.456 4.526 ( -4.564 0.516 -0.339) 4.605 4.653 ( -1.908 1.294 2.378) 3.312 4.753 ( 1.800 0.048 -9.201) 9.375 4.877 ( -0.925 0.905 -3.059) 3.321 4.918 ( -4.227 0.663 -5.580) 7.031 5.275 ( -2.137 1.234 2.150) 3.273 5.335 ( 2.853 4.044 -3.540) 6.084 5.442 ( 0.306 -0.333 5.817) 5.835 5.547 ( 2.601 -4.266 1.688) 5.274 5.697 ( -1.562 -2.949 2.663) 4.270 5.771 ( 4.139 -9.926 5.528) 12.092 6.001 ( 3.038 -7.897 3.992) 9.356 6.155 ( -1.473 -0.172 1.463) 2.083 7.591 ( 3.792 -0.308 -0.823) 3.892 7.705 ( -1.292 -5.571 -3.377) 6.641 7.873 ( 6.122 -7.272 -0.094) 9.506 7.998 ( -3.534 -5.528 1.536) 6.738 8.046 ( -1.771 -5.434 1.012) 5.804 8.103 ( -0.490 -4.724 -1.481) 4.975 9.064 ( 3.915 2.286 2.500) 5.177 9.314 ( -3.204 2.891 -7.836) 8.946 9.327 ( -1.511 2.706 1.679) 3.525 9.422 ( -0.197 6.585 -7.240) 9.789 9.712 ( -0.362 2.196 10.344) 10.580 9.906 ( 3.640 3.355 -3.999) 6.364 10.098 ( -4.658 2.256 2.892) 5.929 10.191 ( -3.864 3.980 -3.817) 6.734 10.338 ( 3.826 6.467 1.796) 7.726 10.413 ( -1.217 5.733 2.283) 6.290 12.360 ( 2.498 5.265 -0.342) 5.837 12.399 ( -1.562 5.035 0.512) 5.296 12.746 ( -1.229 5.737 3.638) 6.903 12.850 ( 2.370 -1.506 -3.496) 4.484 12.967 ( -0.958 -4.822 -0.113) 4.917 13.007 ( -3.743 -1.356 -2.995) 4.982 13.190 ( 0.076 2.076 1.877) 2.800 13.303 ( 0.820 -0.894 -5.563) 5.694 13.479 ( 2.995 -6.085 4.781) 8.298 13.642 ( -2.411 -5.219 -1.461) 5.932 15.152 ( 1.253 -2.600 9.074) 9.522 15.338 ( 1.206 -3.612 -3.813) 5.389 15.423 ( 0.454 -0.137 -0.150) 0.497 15.472 ( -1.546 0.935 -1.849) 2.585 16.276 ( -0.060 2.190 0.677) 2.293 16.306 ( -0.642 2.677 -0.921) 2.903 19.969 ( -2.934 0.882 3.252) 4.467 20.053 ( 3.946 1.404 -4.045) 5.823 20.202 ( -0.510 2.900 2.355) 3.770 20.375 ( -1.478 0.942 -5.842) 6.099 26.018 ( 0.075 -0.016 0.060) 0.098 26.022 ( -0.052 0.023 -0.094) 0.109 26.393 ( -0.162 -0.456 -0.805) 0.940 26.425 ( -2.891 -0.302 1.166) 3.131 26.453 ( 2.675 -0.952 1.506) 3.214 26.608 ( -0.029 -0.571 -6.856) 6.879 27.868 ( 3.871 2.174 -0.608) 4.481 27.947 ( -3.089 3.388 -0.873) 4.667 28.091 ( 6.400 2.816 0.899) 7.050 28.208 ( -8.335 5.547 4.939) 11.164 28.361 ( -0.080 5.296 0.416) 5.313 28.474 ( -0.794 4.908 -10.356) 11.488 30.285 ( -2.924 -1.385 0.822) 3.338 30.366 ( -1.437 2.845 -6.660) 7.383 30.490 ( 7.008 6.582 -0.694) 9.639 30.582 ( -7.399 8.158 4.270) 11.813 31.179 ( 4.578 -26.075 29.303) 39.491 31.710 ( 5.417 -27.292 -11.921) 30.270 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 1.987 12.082 20.116) 23.550 1.400 ( 1.604 10.977 18.484) 21.558 1.726 ( 1.105 5.275 -15.708) 16.606 1.761 ( -1.660 6.288 -17.287) 18.470 2.459 ( 0.482 7.047 24.584) 25.578 2.635 ( 0.694 -10.699 -1.173) 10.786 2.725 ( -0.948 -3.505 1.284) 3.851 2.804 ( 0.511 -8.425 0.553) 8.459 2.825 ( 2.040 -10.042 -1.631) 10.376 2.860 ( -0.895 -10.842 -1.433) 10.973 2.885 ( -2.783 -0.846 1.215) 3.153 2.920 ( 1.943 -2.912 -3.131) 4.697 2.963 ( 1.154 -0.783 5.122) 5.309 3.190 ( -1.318 2.409 -9.428) 9.820 3.280 ( -0.956 -0.109 -0.852) 1.286 3.342 ( 0.221 2.370 -6.550) 6.969 3.547 ( 0.980 7.662 1.320) 7.836 3.631 ( -1.008 8.598 -10.510) 13.617 3.986 ( -4.221 -3.897 1.405) 5.915 4.005 ( 4.157 -3.415 -0.461) 5.399 4.271 ( 3.352 1.619 1.127) 3.889 4.337 ( -4.459 3.216 -4.996) 7.429 4.418 ( 4.215 1.821 3.482) 5.763 4.468 ( -3.141 2.368 -2.099) 4.458 4.611 ( -1.691 2.634 1.754) 3.588 4.685 ( 2.338 4.606 -7.029) 8.723 4.844 ( -0.925 0.508 -0.795) 1.321 4.875 ( -0.404 -0.149 -4.056) 4.079 5.220 ( -1.265 2.701 2.055) 3.622 5.290 ( 1.158 2.867 -4.716) 5.639 5.458 ( 1.185 1.007 5.929) 6.129 5.536 ( -2.306 0.627 -2.293) 3.312 5.761 ( 0.117 2.921 12.145) 12.492 5.928 ( 2.205 0.121 -2.841) 3.599 6.250 ( -1.450 -19.327 10.577) 22.080 6.387 ( 0.723 -27.797 -1.345) 27.838 7.624 ( 2.508 0.245 2.015) 3.226 7.734 ( -2.805 -3.393 -8.338) 9.429 8.056 ( -4.925 -7.632 3.803) 9.847 8.095 ( 3.948 -8.569 -0.377) 9.443 8.159 ( 1.657 -6.558 0.986) 6.836 8.181 ( -0.127 -5.201 -1.196) 5.338 9.065 ( 0.130 1.724 2.911) 3.386 9.165 ( -1.127 4.908 -7.439) 8.983 9.257 ( -1.769 4.496 1.687) 5.118 9.325 ( 2.443 4.934 -5.635) 7.878 9.706 ( -0.001 2.133 9.142) 9.388 9.849 ( 2.105 4.261 -5.177) 7.028 10.038 ( -2.003 2.980 4.385) 5.668 10.079 ( -0.866 5.591 -0.772) 5.710 10.236 ( 3.478 9.780 1.896) 10.552 10.282 ( -2.591 7.479 -2.141) 8.199 12.291 ( -1.828 4.270 1.018) 4.755 12.312 ( 1.735 3.956 -1.059) 4.448 12.612 ( 1.878 11.800 4.352) 12.716 12.731 ( -1.512 12.609 -8.580) 15.326 13.044 ( 0.551 -4.877 -0.312) 4.918 13.047 ( -0.820 -5.284 -0.382) 5.361 13.185 ( 1.278 0.791 3.339) 3.661 13.289 ( -1.024 -0.204 -7.243) 7.318 13.623 ( 1.720 -5.449 6.520) 8.669 13.711 ( -2.046 -5.932 -2.423) 6.727 15.275 ( 0.547 -5.655 8.543) 10.259 15.387 ( 0.216 -0.577 -3.554) 3.607 15.434 ( -0.540 -3.049 0.237) 3.105 15.455 ( -0.196 -1.755 -1.743) 2.481 16.244 ( -0.228 1.513 0.474) 1.602 16.256 ( 0.141 2.134 -0.751) 2.267 19.930 ( -2.840 1.802 3.361) 4.755 20.030 ( 2.715 2.680 -6.696) 7.706 20.180 ( 2.608 2.892 4.676) 6.086 20.279 ( -2.555 4.643 -6.300) 8.232 26.019 ( 0.001 -0.016 0.069) 0.071 26.021 ( 0.004 0.040 -0.085) 0.094 26.389 ( -0.963 0.092 1.229) 1.564 26.413 ( -1.525 -1.131 -0.968) 2.131 26.509 ( 3.362 -0.854 2.120) 4.065 26.587 ( -0.531 -0.254 -6.643) 6.669 27.864 ( -1.264 1.495 -0.217) 1.970 27.872 ( 1.771 1.958 -1.049) 2.841 28.055 ( -5.766 5.222 3.104) 8.375 28.098 ( 6.529 4.572 -0.836) 8.015 28.242 ( -0.793 8.089 0.968) 8.186 28.297 ( -0.069 10.722 -6.206) 12.389 30.284 ( -1.999 -0.985 0.968) 2.430 30.320 ( 0.844 0.680 -2.604) 2.820 30.424 ( -4.212 5.037 1.400) 6.714 30.441 ( 4.929 6.084 -0.456) 7.843 31.846 ( -0.428 -35.665 25.227) 43.687 32.166 ( 0.251 -28.103 -10.484) 29.996 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 4.508 0.000 -25.491) 25.886 1.460 ( 9.203 0.000 -15.683) 18.184 1.705 ( 7.744 0.000 13.843) 15.862 1.810 ( 13.721 0.000 13.151) 19.006 2.483 ( -17.378 -0.000 0.831) 17.397 2.552 ( -10.881 -0.000 3.753) 11.511 2.619 ( 2.944 0.000 -8.423) 8.922 2.782 ( -10.375 -0.000 0.696) 10.399 2.839 ( -6.224 -0.000 1.301) 6.358 2.841 ( 10.028 0.000 -12.647) 16.140 2.906 ( -1.629 -0.000 -1.017) 1.921 2.914 ( -8.173 -0.000 -2.134) 8.447 2.999 ( 0.609 0.000 -4.883) 4.921 3.185 ( -5.849 -0.000 2.141) 6.228 3.269 ( 4.732 0.000 9.421) 10.542 3.396 ( 4.741 0.000 -0.893) 4.825 3.482 ( 2.326 0.000 1.609) 2.828 3.727 ( 12.042 0.000 12.685) 17.491 3.985 ( -2.039 -0.000 -0.528) 2.106 4.072 ( -1.725 -0.000 0.670) 1.850 4.198 ( 0.992 0.000 4.301) 4.414 4.399 ( -0.265 -0.000 -0.983) 1.018 4.505 ( 5.697 0.000 -2.618) 6.270 4.521 ( 5.408 0.000 5.722) 7.873 4.717 ( 5.913 0.000 -9.196) 10.933 4.728 ( 2.051 0.000 8.190) 8.443 4.866 ( -1.793 -0.000 3.202) 3.670 4.937 ( 3.040 0.000 -0.353) 3.060 5.190 ( 2.959 0.000 1.681) 3.403 5.260 ( 0.004 0.000 2.121) 2.121 5.423 ( -1.140 -0.000 1.754) 2.091 5.426 ( -0.933 -0.000 -1.414) 1.694 5.827 ( 0.065 0.000 3.305) 3.306 5.841 ( -1.361 -0.000 -15.248) 15.309 6.211 ( -24.635 -0.000 4.274) 25.003 6.234 ( -16.556 -0.000 -9.579) 19.127 7.598 ( -3.578 -0.000 -2.462) 4.343 7.646 ( -3.974 -0.000 5.359) 6.672 7.968 ( -5.952 -0.000 -0.504) 5.973 8.053 ( -7.525 -0.000 1.788) 7.735 8.167 ( -4.801 -0.000 -1.208) 4.951 8.179 ( -4.359 -0.000 0.763) 4.425 9.134 ( 3.050 0.000 -1.148) 3.259 9.145 ( 1.763 0.000 0.810) 1.940 9.298 ( 4.937 0.000 3.666) 6.149 9.349 ( 6.522 0.000 2.607) 7.024 9.802 ( 2.091 0.000 -7.958) 8.229 9.866 ( 1.217 0.000 7.913) 8.006 10.013 ( 6.832 0.000 -1.700) 7.040 10.093 ( 7.113 0.000 -4.056) 8.188 10.222 ( 5.637 0.000 -1.619) 5.865 10.369 ( 8.064 0.000 1.075) 8.135 12.342 ( 4.193 0.000 -0.771) 4.263 12.362 ( 3.019 0.000 0.797) 3.122 12.617 ( 10.626 0.000 -4.910) 11.706 12.791 ( 10.032 0.000 7.517) 12.535 13.017 ( -5.550 -0.000 0.408) 5.565 13.051 ( -4.597 -0.000 0.009) 4.597 13.074 ( -0.594 -0.000 -4.461) 4.500 13.306 ( -0.011 -0.000 6.575) 6.575 13.615 ( -3.113 -0.000 -4.986) 5.878 13.724 ( -6.855 -0.000 2.164) 7.189 15.243 ( -3.787 -0.000 -6.613) 7.620 15.363 ( -4.266 -0.000 3.010) 5.221 15.424 ( -0.861 -0.000 2.313) 2.468 15.450 ( -1.090 -0.000 -0.291) 1.128 16.247 ( 2.046 0.000 0.753) 2.180 16.258 ( 1.820 0.000 -0.292) 1.843 19.929 ( 1.897 0.000 2.690) 3.292 20.023 ( 3.328 0.000 -0.348) 3.347 20.227 ( 2.665 0.000 4.074) 4.869 20.302 ( 3.198 0.000 -2.967) 4.362 26.019 ( 0.007 0.000 0.046) 0.047 26.021 ( 0.026 0.000 -0.022) 0.034 26.402 ( -0.065 -0.000 -3.318) 3.318 26.403 ( -4.092 -0.000 2.149) 4.622 26.472 ( 1.871 0.000 3.239) 3.740 26.648 ( 2.617 0.000 0.266) 2.630 27.941 ( 1.159 0.000 0.939) 1.492 27.963 ( 1.472 0.000 -0.054) 1.473 28.036 ( 6.726 0.000 1.942) 7.000 28.088 ( 2.641 0.000 1.699) 3.140 28.205 ( 10.801 0.000 -3.860) 11.470 28.289 ( 5.933 0.000 2.299) 6.363 30.250 ( -1.718 -0.000 -1.652) 2.383 30.339 ( 1.297 0.000 1.304) 1.840 30.388 ( 2.332 0.000 -0.039) 2.332 30.535 ( 9.930 0.000 0.341) 9.936 31.766 ( -33.059 -0.000 -22.910) 40.221 31.952 ( -30.421 -0.000 13.933) 33.460 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 12.602 -8.225 -11.587) 18.993 1.558 ( 11.959 -5.618 -14.068) 19.300 1.859 ( 8.447 -2.370 11.709) 14.631 2.011 ( 13.796 -2.130 10.632) 17.548 2.272 ( -15.395 4.583 2.077) 16.197 2.445 ( -11.858 1.236 4.803) 12.853 2.576 ( -2.064 3.945 -3.605) 5.729 2.655 ( -8.969 4.031 0.614) 9.852 2.749 ( -6.786 3.261 -6.166) 9.732 2.771 ( -3.637 2.357 0.104) 4.336 2.870 ( -2.306 0.721 -0.407) 2.450 2.978 ( 2.943 0.870 -8.999) 9.508 3.023 ( 12.679 -7.001 -8.266) 16.676 3.159 ( -6.391 -2.067 4.491) 8.080 3.344 ( 1.810 -0.967 2.258) 3.051 3.413 ( 3.224 1.571 2.922) 4.626 3.516 ( 0.645 -1.194 -0.569) 1.471 3.875 ( 5.583 -1.433 6.830) 8.937 3.947 ( -0.924 1.965 -0.626) 2.260 4.060 ( -2.278 -0.546 -0.302) 2.362 4.237 ( 1.659 -1.521 3.800) 4.417 4.418 ( -0.170 -1.355 1.163) 1.793 4.510 ( 4.237 2.501 -1.493) 5.141 4.596 ( 2.610 0.686 5.476) 6.105 4.688 ( 0.554 4.106 -1.720) 4.486 4.771 ( 1.090 -0.097 1.401) 1.777 4.852 ( -0.891 -0.647 2.709) 2.924 4.987 ( 2.492 -1.683 2.545) 3.940 5.256 ( 3.163 -2.440 4.210) 5.804 5.281 ( -3.231 -3.138 -1.072) 4.629 5.418 ( -0.547 0.706 0.770) 1.179 5.448 ( 2.543 -1.649 0.454) 3.065 5.705 ( -9.741 4.009 -11.310) 15.456 5.842 ( -0.416 -1.802 -1.767) 2.558 5.924 ( -13.278 7.242 0.624) 15.137 6.110 ( -3.707 0.481 -5.875) 6.964 7.552 ( -3.720 -0.091 -1.502) 4.013 7.640 ( -4.978 -1.915 3.347) 6.296 7.880 ( -2.717 6.053 1.791) 6.872 7.988 ( -5.510 0.769 1.492) 5.760 8.096 ( -4.800 2.885 0.815) 5.660 8.109 ( -3.581 2.231 -2.389) 4.849 9.091 ( 2.325 3.223 1.739) 4.337 9.252 ( 1.615 -5.438 -2.269) 6.109 9.354 ( 4.246 0.410 4.295) 6.054 9.458 ( 6.314 -3.180 6.062) 9.312 9.781 ( 1.436 1.045 -6.348) 6.592 9.926 ( 0.833 -2.079 4.803) 5.299 10.094 ( 5.568 -2.157 -3.895) 7.129 10.153 ( 6.059 -1.494 -0.121) 6.242 10.295 ( 4.297 -3.623 -2.511) 6.156 10.426 ( 4.743 0.696 -2.198) 5.274 12.386 ( 5.621 -1.209 0.074) 5.750 12.433 ( 3.227 -3.577 -0.320) 4.828 12.707 ( 5.430 -2.483 -3.665) 7.005 12.880 ( -0.175 -0.789 5.115) 5.179 12.943 ( -3.580 3.485 0.791) 5.059 12.989 ( -4.150 2.131 -0.197) 4.669 13.089 ( 1.514 -2.413 -2.064) 3.518 13.313 ( -0.962 1.425 5.183) 5.461 13.542 ( -2.438 3.410 -3.409) 5.404 13.652 ( -6.948 0.604 -0.058) 6.974 15.176 ( -0.825 1.761 -4.887) 5.260 15.323 ( -3.929 0.742 1.383) 4.231 15.428 ( -0.406 0.405 1.478) 1.585 15.453 ( 0.019 -1.268 0.764) 1.480 16.276 ( 2.174 -0.593 0.499) 2.308 16.292 ( 2.256 -1.516 0.031) 2.718 19.955 ( 1.567 0.303 3.364) 3.723 20.062 ( 2.519 -0.985 -1.077) 2.912 20.255 ( 1.668 0.357 3.098) 3.537 20.334 ( 0.942 -1.783 -1.625) 2.590 26.019 ( -0.024 0.015 0.092) 0.096 26.021 ( 0.061 0.009 -0.081) 0.101 26.362 ( -2.259 0.263 -1.727) 2.856 26.401 ( -1.899 -1.328 -1.337) 2.676 26.499 ( 1.971 1.713 6.704) 7.195 26.660 ( 2.639 1.644 0.125) 3.111 27.972 ( 2.703 -0.731 -0.423) 2.832 27.995 ( 1.417 -2.424 1.897) 3.389 28.120 ( 1.832 -2.947 1.168) 3.661 28.150 ( 6.522 -1.214 -0.679) 6.669 28.245 ( 6.071 1.452 0.432) 6.257 28.404 ( 4.199 -3.646 2.439) 6.072 30.234 ( -2.110 -0.880 -1.229) 2.596 30.343 ( 1.089 0.442 3.620) 3.806 30.471 ( 3.112 -5.854 -1.473) 6.791 30.640 ( 12.180 0.470 -0.226) 12.191 31.285 ( -26.112 9.089 -26.537) 38.323 31.639 ( -27.231 8.977 13.551) 31.713 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 13.632 -11.588 -1.820) 17.984 1.743 ( 10.645 -7.387 -7.866) 15.158 2.006 ( 3.266 -0.338 8.712) 9.310 2.078 ( -1.697 1.532 1.869) 2.953 2.237 ( 5.833 -3.023 4.033) 7.708 2.332 ( -10.112 1.263 9.304) 13.799 2.448 ( -5.855 4.624 -1.615) 7.634 2.492 ( -3.645 6.602 -0.372) 7.550 2.640 ( -3.249 0.459 -4.449) 5.528 2.701 ( -2.230 3.048 0.841) 3.869 2.818 ( -2.679 1.602 -4.494) 5.472 2.938 ( 0.581 2.446 -5.864) 6.380 3.158 ( -4.914 -1.811 6.744) 8.538 3.259 ( 12.050 -7.852 -6.553) 15.805 3.332 ( 3.046 3.103 -2.141) 4.847 3.454 ( 0.136 -1.717 3.939) 4.299 3.530 ( 0.406 -1.225 -2.510) 2.822 3.878 ( -3.130 2.250 -2.753) 4.737 3.927 ( 1.282 1.110 0.229) 1.711 4.042 ( -2.886 -0.555 -1.029) 3.114 4.317 ( 2.765 -4.285 0.490) 5.123 4.439 ( 3.223 1.387 2.283) 4.186 4.485 ( -0.179 2.821 -1.003) 2.999 4.594 ( -1.157 2.218 6.497) 6.962 4.614 ( 0.036 3.698 2.067) 4.237 4.766 ( -0.225 1.185 -0.554) 1.327 4.889 ( -0.308 -2.016 0.801) 2.191 5.049 ( 0.768 -1.545 5.626) 5.884 5.213 ( -10.017 1.578 -4.071) 10.927 5.323 ( -3.448 0.795 4.080) 5.400 5.426 ( 5.327 -1.971 0.357) 5.691 5.510 ( 2.360 -0.612 -0.182) 2.445 5.533 ( 1.481 3.389 -4.524) 5.843 5.780 ( -4.323 1.424 -0.823) 4.625 5.866 ( 0.055 -2.533 -2.904) 3.854 6.085 ( -1.740 -1.911 -1.958) 3.242 7.531 ( -0.328 -0.815 -1.872) 2.068 7.629 ( -4.903 -1.194 1.381) 5.232 7.764 ( 0.108 6.069 2.695) 6.642 7.936 ( -2.880 0.866 1.076) 3.194 7.993 ( -6.175 2.796 0.122) 6.780 8.043 ( -2.008 1.125 -3.058) 3.827 9.094 ( 3.362 1.181 3.690) 5.130 9.316 ( -0.060 -3.004 -4.167) 5.137 9.398 ( 2.566 0.834 4.884) 5.580 9.591 ( 3.937 -2.512 6.096) 7.679 9.745 ( 1.142 1.714 -4.380) 4.840 9.978 ( 0.216 -1.074 5.603) 5.709 10.128 ( 3.818 -0.455 -10.673) 11.345 10.258 ( 2.433 -3.344 5.011) 6.497 10.363 ( 0.275 -1.769 -4.952) 5.266 10.452 ( 4.390 -1.188 -0.297) 4.558 12.482 ( 8.134 -1.716 -0.478) 8.327 12.538 ( 5.458 -3.660 -0.089) 6.572 12.750 ( -1.165 -0.865 -1.655) 2.202 12.842 ( -1.674 5.576 1.993) 6.153 12.872 ( -6.989 -1.891 0.720) 7.276 12.914 ( -3.917 1.334 -0.040) 4.138 13.154 ( 2.456 -3.536 -0.953) 4.409 13.288 ( -1.084 1.908 3.565) 4.187 13.443 ( -1.752 4.256 -1.851) 4.961 13.579 ( -5.577 0.389 -1.774) 5.866 15.143 ( 1.097 1.422 0.223) 1.809 15.287 ( -1.560 0.330 -0.965) 1.864 15.422 ( 0.041 0.486 1.024) 1.134 15.477 ( -0.757 -1.428 -0.100) 1.619 16.309 ( 1.773 -0.675 0.415) 1.942 16.337 ( 1.357 -1.477 -0.071) 2.007 19.974 ( 0.682 0.417 3.837) 3.920 20.086 ( 2.035 -0.040 -2.301) 3.072 20.277 ( 0.490 -0.250 2.091) 2.162 20.353 ( -0.216 -0.928 -1.428) 1.716 26.019 ( -0.032 -0.009 0.079) 0.085 26.021 ( 0.056 0.021 -0.079) 0.099 26.345 ( -0.707 -0.890 -2.244) 2.515 26.399 ( -1.902 -1.253 -1.125) 2.541 26.499 ( 0.606 2.879 6.873) 7.477 26.648 ( 1.782 2.062 -1.175) 2.968 27.997 ( 5.090 2.452 0.004) 5.650 28.060 ( 2.036 -1.309 3.163) 3.983 28.158 ( 1.797 0.297 -3.669) 4.097 28.241 ( 6.439 -2.747 0.881) 7.056 28.316 ( -1.016 -6.199 0.910) 6.348 28.464 ( -0.534 0.076 3.055) 3.102 30.229 ( -2.480 -1.398 0.138) 2.850 30.398 ( 1.254 -3.482 8.470) 9.243 30.605 ( 5.145 -4.697 -3.722) 7.899 30.753 ( 10.176 -2.530 -2.482) 10.776 30.834 ( -13.882 8.342 -22.411) 27.651 31.273 ( -21.632 11.631 11.375) 27.067 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.288 -0.912 0.788) 2.586 1.915 ( 2.940 -2.217 5.555) 6.665 1.978 ( 5.084 0.227 -2.456) 5.651 2.128 ( -2.554 3.379 0.473) 4.261 2.158 ( -3.079 1.043 -4.471) 5.527 2.335 ( -3.493 3.639 -2.973) 5.855 2.391 ( 0.235 -5.267 10.150) 11.438 2.445 ( 3.328 -0.992 3.243) 4.751 2.616 ( -2.170 0.308 -2.355) 3.217 2.665 ( 2.864 1.893 -1.898) 3.923 2.753 ( -0.642 -1.545 -4.023) 4.357 2.890 ( -0.495 0.188 -4.360) 4.392 3.173 ( -4.258 -1.960 6.148) 7.731 3.268 ( 0.541 2.708 -3.262) 4.274 3.396 ( 2.918 3.096 1.787) 4.615 3.483 ( -1.006 0.377 0.696) 1.280 3.609 ( 9.349 -5.186 -2.061) 10.888 3.805 ( -5.724 -1.191 -1.894) 6.145 3.925 ( 3.112 1.531 0.092) 3.470 4.012 ( -2.806 0.618 -1.089) 3.073 4.373 ( -2.829 3.082 2.645) 4.950 4.395 ( 5.521 2.811 -2.746) 6.776 4.483 ( 0.681 -1.525 -0.969) 1.931 4.539 ( -4.689 1.627 2.386) 5.507 4.632 ( 3.809 -1.028 2.306) 4.570 4.729 ( -0.690 2.615 0.535) 2.757 4.894 ( -1.031 -0.026 -2.207) 2.436 4.981 ( -7.849 3.797 -5.250) 10.178 5.182 ( -0.769 -3.781 7.663) 8.579 5.298 ( -2.039 -1.884 3.551) 4.507 5.483 ( 2.725 2.628 -0.580) 3.830 5.518 ( 4.767 0.801 -3.916) 6.221 5.565 ( 3.489 -2.014 0.483) 4.057 5.716 ( -4.183 1.272 -2.751) 5.166 5.928 ( 3.404 -2.951 2.698) 5.251 6.107 ( -3.708 -3.536 0.472) 5.145 7.562 ( 3.844 -1.206 -1.836) 4.427 7.606 ( -3.039 -1.142 0.003) 3.247 7.729 ( 2.168 0.229 1.997) 2.957 7.898 ( -7.769 -0.108 -1.018) 7.836 7.924 ( -0.617 -0.982 1.905) 2.230 8.012 ( -0.713 -0.531 -3.108) 3.233 9.131 ( 3.946 1.042 4.756) 6.267 9.327 ( -1.408 -1.316 -5.159) 5.507 9.406 ( 0.643 2.050 4.241) 4.754 9.593 ( -0.734 3.144 -7.340) 8.019 9.761 ( 2.084 0.487 9.744) 9.976 10.008 ( 2.756 1.466 3.787) 4.908 10.109 ( -1.495 -0.526 -8.341) 8.490 10.268 ( -2.768 0.663 -8.169) 8.651 10.400 ( 2.273 -1.102 7.798) 8.196 10.516 ( 2.762 -0.858 -0.711) 2.978 12.552 ( 8.285 4.412 -1.148) 9.457 12.604 ( 4.126 5.480 0.935) 6.924 12.731 ( -4.251 -4.469 0.542) 6.191 12.776 ( -0.222 -0.381 -0.036) 0.442 12.852 ( -4.316 -2.409 0.276) 4.951 12.888 ( -4.795 -3.189 -0.627) 5.792 13.223 ( 0.366 -1.311 0.777) 1.567 13.282 ( 1.183 -1.216 -0.362) 1.735 13.374 ( 1.047 2.227 0.829) 2.597 13.525 ( -4.951 -1.278 -2.504) 5.694 15.142 ( 0.633 1.017 5.087) 5.226 15.275 ( 0.310 -0.612 -3.429) 3.497 15.423 ( 0.533 0.168 1.009) 1.153 15.481 ( -1.314 -0.595 -1.413) 2.019 16.328 ( 0.924 0.407 0.701) 1.229 16.357 ( 0.085 0.012 -0.540) 0.547 19.983 ( -0.762 0.457 4.330) 4.420 20.090 ( 2.591 0.650 -3.924) 4.747 20.275 ( -1.269 1.026 2.456) 2.948 20.362 ( 0.523 -0.804 -2.717) 2.882 26.019 ( 0.091 -0.003 -0.018) 0.093 26.021 ( -0.070 -0.013 0.000) 0.071 26.353 ( -1.618 -1.522 -0.081) 2.222 26.402 ( -0.311 -1.446 -3.303) 3.619 26.479 ( 0.890 2.782 6.332) 6.973 26.619 ( 0.664 1.653 -3.489) 3.917 27.989 ( 5.571 4.297 -0.437) 7.050 28.061 ( -2.019 2.750 0.305) 3.426 28.169 ( 5.358 0.957 1.566) 5.664 28.323 ( -1.038 -0.152 3.922) 4.060 28.404 ( -2.426 -4.946 -4.907) 7.377 28.444 ( 0.614 -0.385 0.550) 0.910 30.234 ( -2.420 -1.497 1.987) 3.471 30.504 ( -6.181 5.100 -14.562) 16.621 30.563 ( 1.027 -9.618 14.843) 17.716 30.723 ( 11.751 5.193 -2.607) 13.109 30.933 ( -7.080 -0.774 1.369) 7.252 30.959 ( -4.955 -4.628 -1.538) 6.953 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.020 12.078 10.244) 15.837 1.835 ( 1.877 10.070 4.332) 11.122 1.955 ( -5.403 2.579 -6.714) 8.995 1.998 ( 2.423 10.327 -9.370) 14.154 2.233 ( 0.210 -8.751 3.640) 9.480 2.321 ( -0.675 -7.409 -4.134) 8.511 2.520 ( -1.770 -3.734 5.219) 6.657 2.536 ( 0.049 -7.220 2.934) 7.794 2.607 ( 0.509 -3.344 -3.571) 4.918 2.645 ( 3.059 -1.168 -5.954) 6.795 2.824 ( -0.243 -3.255 2.565) 4.152 2.892 ( 1.229 -1.696 -3.824) 4.360 3.170 ( -5.501 -0.428 4.068) 6.855 3.253 ( 5.096 0.289 -3.061) 5.951 3.306 ( 1.243 9.826 6.894) 12.067 3.438 ( -1.805 2.497 -4.203) 5.212 3.726 ( 4.986 2.048 3.296) 6.318 3.780 ( -4.302 -1.245 -1.974) 4.895 3.936 ( -0.287 0.846 0.159) 0.907 3.961 ( 0.708 0.979 -2.008) 2.343 4.332 ( -2.528 -0.148 3.290) 4.152 4.401 ( 9.018 3.944 -0.818) 9.876 4.468 ( -3.236 1.831 -0.033) 3.718 4.489 ( -0.747 -0.118 -1.783) 1.937 4.672 ( -2.129 1.925 1.018) 3.046 4.707 ( 2.283 -2.801 -3.328) 4.913 4.863 ( -3.026 0.687 -2.363) 3.901 4.877 ( -0.426 0.388 -4.373) 4.411 5.265 ( -2.236 -2.211 8.023) 8.618 5.382 ( -0.306 -6.364 3.788) 7.412 5.423 ( 0.576 4.121 -0.863) 4.249 5.543 ( 3.693 -1.808 -4.760) 6.291 5.634 ( -2.238 -1.979 0.421) 3.017 5.659 ( 1.672 -2.112 -2.426) 3.625 6.021 ( 3.325 -0.899 7.968) 8.680 6.115 ( -4.593 -1.974 -0.668) 5.044 7.590 ( -2.880 -2.095 0.528) 3.600 7.632 ( 4.272 -1.273 -3.590) 5.724 7.815 ( 1.145 -5.129 2.563) 5.847 7.857 ( -3.336 -4.315 -1.375) 5.625 7.971 ( 0.505 -3.629 2.385) 4.372 8.027 ( 0.259 -2.929 -3.066) 4.248 9.159 ( 2.492 2.321 5.646) 6.593 9.286 ( -2.151 1.216 -7.357) 7.761 9.378 ( -1.093 2.935 3.556) 4.739 9.488 ( 0.497 4.585 -7.659) 8.941 9.786 ( -0.866 2.209 10.718) 10.978 9.998 ( 5.859 4.468 -8.504) 11.252 10.074 ( -5.160 -1.048 4.813) 7.133 10.195 ( -1.277 1.802 -5.413) 5.847 10.444 ( 1.152 1.716 5.018) 5.427 10.506 ( 1.295 3.870 -1.522) 4.356 12.481 ( -2.809 7.055 0.682) 7.625 12.493 ( 2.519 6.959 -0.519) 7.419 12.787 ( -0.926 -1.303 2.314) 2.813 12.834 ( 3.988 -2.983 -2.371) 5.516 12.890 ( 1.062 -3.909 0.539) 4.086 12.907 ( -3.788 -4.113 -1.256) 5.731 13.217 ( -1.072 0.949 2.535) 2.912 13.292 ( 1.354 0.422 -5.080) 5.274 13.436 ( 2.479 -4.343 5.158) 7.184 13.518 ( -3.291 -4.379 -3.068) 6.278 15.162 ( -0.593 -0.681 7.505) 7.559 15.284 ( 0.928 -1.730 -4.923) 5.300 15.433 ( 0.868 0.081 0.996) 1.324 15.462 ( -1.185 0.453 -1.981) 2.353 16.317 ( 0.037 1.850 1.049) 2.127 16.337 ( -0.143 1.748 -0.979) 2.008 19.974 ( -2.289 0.988 4.737) 5.353 20.085 ( 2.781 0.852 -6.172) 6.823 20.258 ( 0.474 1.544 4.616) 4.891 20.352 ( -0.690 0.519 -4.706) 4.785 26.020 ( 0.118 0.051 0.010) 0.129 26.020 ( -0.099 -0.065 -0.046) 0.128 26.356 ( -4.331 -1.744 2.296) 5.203 26.402 ( 0.731 0.280 -1.470) 1.665 26.500 ( 4.507 0.079 2.256) 5.041 26.581 ( -0.313 0.974 -5.619) 5.711 27.958 ( -1.509 3.793 0.153) 4.086 27.976 ( 2.217 4.123 -1.723) 4.989 28.211 ( 0.298 2.332 3.413) 4.144 28.234 ( -1.721 4.434 2.481) 5.364 28.410 ( -1.349 0.566 0.542) 1.560 28.482 ( 3.689 0.019 -7.378) 8.249 30.246 ( -1.983 -1.176 3.343) 4.061 30.365 ( -1.475 2.061 -8.183) 8.567 30.646 ( -9.645 6.840 5.092) 12.874 30.708 ( 11.353 9.026 -1.699) 14.603 30.923 ( -0.933 -17.848 21.194) 27.724 31.253 ( 0.233 -23.270 -13.187) 26.748 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 2.919 11.555 10.797) 16.082 1.688 ( 4.046 14.220 11.959) 19.016 1.795 ( -1.363 7.561 -14.087) 16.046 1.818 ( 5.243 8.725 -10.594) 14.692 2.382 ( -8.100 -11.366 -0.029) 13.957 2.471 ( -0.078 -10.250 4.390) 11.151 2.574 ( -5.898 -6.880 1.090) 9.128 2.651 ( -2.916 -6.769 0.624) 7.397 2.717 ( 2.898 -6.987 -3.113) 8.180 2.723 ( 2.497 -7.070 -3.345) 8.210 2.853 ( -2.521 -0.855 1.988) 3.322 2.913 ( 1.129 -1.158 -2.626) 3.084 3.111 ( -0.556 5.647 7.780) 9.629 3.214 ( 1.381 5.847 5.529) 8.165 3.281 ( 2.320 2.626 -4.099) 5.392 3.355 ( 1.445 1.307 -6.042) 6.348 3.672 ( -0.736 6.023 -0.109) 6.068 3.731 ( 1.513 4.657 -2.232) 5.382 3.899 ( -3.564 -1.519 -0.209) 3.880 4.007 ( 4.771 -1.568 -0.572) 5.055 4.280 ( -4.597 1.465 -0.969) 4.921 4.401 ( 4.610 3.483 0.246) 5.783 4.446 ( -1.476 0.474 -3.274) 3.622 4.500 ( 3.930 0.891 4.078) 5.733 4.629 ( -2.754 0.954 1.990) 3.529 4.740 ( 4.021 0.467 -5.775) 7.052 4.837 ( -0.337 0.171 -0.323) 0.497 4.871 ( 1.814 0.079 -1.848) 2.591 5.252 ( -2.955 2.001 4.119) 5.450 5.344 ( 1.235 4.215 -3.966) 5.918 5.486 ( -2.110 -3.053 4.391) 5.749 5.543 ( 0.251 3.224 -0.713) 3.312 5.717 ( -2.671 -11.445 2.850) 12.093 5.821 ( 3.215 -12.150 -2.996) 12.920 6.075 ( -2.572 -1.490 5.222) 6.009 6.098 ( -3.500 -3.866 0.614) 5.251 7.597 ( -3.862 -2.814 -0.686) 4.827 7.679 ( 3.456 -0.974 -2.058) 4.139 7.855 ( -8.437 -7.400 1.804) 11.366 8.001 ( 2.306 -6.621 1.237) 7.120 8.074 ( 1.924 -6.126 -0.699) 6.459 8.091 ( 2.278 -5.056 -1.189) 5.672 9.103 ( -5.438 4.156 0.925) 6.906 9.234 ( 5.234 3.063 -2.934) 6.737 9.320 ( -1.402 3.751 3.188) 5.118 9.405 ( 2.019 4.223 -5.656) 7.342 9.772 ( -0.908 1.990 8.382) 8.663 9.922 ( 2.800 4.038 -10.354) 11.461 10.081 ( 0.058 1.042 7.676) 7.746 10.142 ( 0.807 3.109 -1.354) 3.486 10.368 ( -2.906 6.921 -1.281) 7.615 10.436 ( 4.101 6.844 0.231) 7.981 12.350 ( -2.776 5.194 0.536) 5.913 12.408 ( 1.833 5.048 -0.325) 5.380 12.781 ( 0.555 2.756 3.412) 4.421 12.839 ( 0.743 3.983 -5.959) 7.206 12.962 ( 0.556 -4.364 0.487) 4.427 12.972 ( 2.057 -3.095 0.501) 3.750 13.209 ( -0.530 0.353 3.309) 3.370 13.268 ( 0.276 1.039 -5.340) 5.448 13.533 ( -3.929 -6.477 1.475) 7.718 13.599 ( 2.229 -5.552 0.841) 6.041 15.214 ( -2.625 -3.782 6.755) 8.175 15.314 ( 0.491 -3.393 -4.963) 6.032 15.433 ( -0.988 0.307 -1.129) 1.531 15.444 ( 1.557 0.920 0.754) 1.959 16.280 ( -0.316 2.408 0.608) 2.504 16.299 ( 0.836 2.556 -0.580) 2.751 19.948 ( -2.419 1.500 4.832) 5.608 20.065 ( 2.332 1.386 -6.103) 6.679 20.266 ( 1.445 2.467 3.744) 4.711 20.297 ( -0.013 1.883 -4.508) 4.886 26.020 ( -0.041 -0.034 -0.030) 0.061 26.021 ( 0.043 0.044 -0.004) 0.062 26.352 ( -3.640 -1.718 2.279) 4.626 26.411 ( 1.394 0.151 2.010) 2.451 26.540 ( -0.123 0.562 -5.402) 5.433 26.553 ( 3.598 -0.588 -1.574) 3.970 27.867 ( -3.391 2.169 -0.494) 4.055 27.949 ( 4.021 3.353 -1.125) 5.355 28.080 ( -6.569 4.032 2.166) 8.006 28.255 ( 8.365 4.040 1.406) 9.396 28.349 ( -1.928 5.230 1.622) 5.805 28.432 ( 3.194 6.535 -6.815) 9.968 30.259 ( -1.325 -0.754 3.578) 3.889 30.329 ( 1.657 0.169 -3.341) 3.733 30.468 ( -6.381 5.657 1.704) 8.696 30.637 ( 8.706 9.967 -1.609) 13.331 31.379 ( -5.551 -27.567 23.683) 36.765 31.605 ( -5.171 -27.820 -15.974) 32.494 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 19.448 0.000 -2.787) 19.647 1.603 ( 15.735 0.000 -10.296) 18.804 1.985 ( 10.821 0.000 11.833) 16.035 2.163 ( -16.006 -0.000 2.586) 16.213 2.165 ( 13.810 0.000 5.645) 14.919 2.343 ( -14.222 -0.000 7.490) 16.074 2.581 ( -2.767 -0.000 -6.953) 7.483 2.586 ( -9.048 -0.000 -1.206) 9.128 2.688 ( -8.346 -0.000 -2.424) 8.691 2.736 ( -6.371 -0.000 2.221) 6.747 2.879 ( -0.875 -0.000 -1.146) 1.442 2.954 ( 0.204 0.000 -11.938) 11.940 3.044 ( 12.419 0.000 -7.968) 14.755 3.140 ( 2.228 0.000 8.213) 8.510 3.345 ( -0.131 -0.000 1.155) 1.163 3.472 ( 3.785 0.000 -0.033) 3.785 3.510 ( -1.050 -0.000 1.030) 1.471 3.872 ( -5.381 -0.000 -1.827) 5.683 3.948 ( -0.971 -0.000 -0.595) 1.139 4.013 ( -5.762 -0.000 -0.831) 5.821 4.263 ( 1.166 0.000 6.466) 6.571 4.445 ( 8.030 0.000 0.814) 8.071 4.576 ( 3.932 0.000 -0.885) 4.030 4.643 ( 0.719 0.000 7.914) 7.947 4.732 ( 1.796 0.000 -4.473) 4.821 4.791 ( -0.823 -0.000 5.686) 5.745 4.843 ( -2.518 -0.000 3.258) 4.117 4.990 ( 3.289 0.000 -2.323) 4.027 5.197 ( -6.640 -0.000 1.416) 6.789 5.287 ( 2.173 0.000 6.189) 6.560 5.418 ( -0.900 -0.000 -3.326) 3.446 5.465 ( 2.351 0.000 3.051) 3.852 5.630 ( -2.377 -0.000 -8.120) 8.461 5.803 ( -3.457 -0.000 1.860) 3.926 5.874 ( -11.372 -0.000 -2.031) 11.552 6.048 ( 0.510 0.000 -11.532) 11.544 7.506 ( -4.061 -0.000 0.761) 4.132 7.586 ( -4.261 -0.000 1.001) 4.377 7.946 ( -3.772 0.000 3.429) 5.098 7.946 ( 0.009 0.000 3.191) 3.191 8.066 ( -3.688 -0.000 -2.576) 4.499 8.112 ( -2.917 -0.000 0.290) 2.931 9.173 ( 1.734 0.000 -1.156) 2.084 9.177 ( 0.925 0.000 0.286) 0.969 9.421 ( 3.296 0.000 6.218) 7.038 9.508 ( 6.185 0.000 5.430) 8.230 9.788 ( 2.219 0.000 -6.670) 7.030 9.920 ( -1.241 -0.000 5.547) 5.684 10.133 ( 6.120 0.000 -0.471) 6.138 10.187 ( 5.495 0.000 -3.386) 6.454 10.286 ( 2.309 0.000 -2.668) 3.529 10.456 ( 2.458 0.000 -5.301) 5.843 12.418 ( 3.813 0.000 -0.719) 3.880 12.418 ( 1.998 0.000 0.711) 2.121 12.726 ( 4.151 0.000 -2.670) 4.935 12.851 ( -5.377 -0.000 2.130) 5.783 12.980 ( -1.568 -0.000 -0.533) 1.656 12.984 ( -0.462 -0.000 3.108) 3.142 13.085 ( 3.620 0.000 -0.547) 3.661 13.327 ( -2.271 -0.000 3.181) 3.909 13.547 ( -0.212 -0.000 -4.091) 4.097 13.580 ( -8.188 -0.000 0.907) 8.238 15.176 ( 2.124 0.000 -5.172) 5.591 15.289 ( -4.807 -0.000 1.521) 5.042 15.438 ( -0.199 -0.000 2.163) 2.172 15.443 ( -0.182 -0.000 0.390) 0.431 16.296 ( 1.794 0.000 0.855) 1.987 16.297 ( 2.127 0.000 -0.330) 2.152 19.990 ( 1.470 0.000 4.014) 4.275 20.075 ( 2.317 0.000 -0.483) 2.366 20.277 ( -1.043 -0.000 4.055) 4.187 20.321 ( 2.036 0.000 -3.793) 4.305 26.019 ( 0.019 0.000 0.061) 0.064 26.021 ( 0.027 0.000 -0.051) 0.058 26.332 ( -3.928 -0.000 1.518) 4.211 26.370 ( 0.448 0.000 -4.865) 4.886 26.566 ( 1.703 0.000 8.715) 8.880 26.707 ( 3.454 0.000 -0.572) 3.501 27.954 ( 0.130 0.000 0.359) 0.382 27.975 ( 0.121 0.000 -0.567) 0.580 28.149 ( 1.353 0.000 2.617) 2.946 28.175 ( 5.436 0.000 0.456) 5.455 28.389 ( 11.463 0.000 -3.518) 11.990 28.392 ( 0.561 0.000 6.903) 6.926 30.204 ( -2.067 -0.000 -0.068) 2.068 30.375 ( 0.983 0.000 1.964) 2.197 30.424 ( 1.404 0.000 -0.397) 1.459 30.785 ( 15.018 0.000 -1.591) 15.102 31.012 ( -21.035 -0.000 -26.173) 33.578 31.492 ( -27.360 -0.000 11.736) 29.771 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 17.138 -5.581 3.566) 18.373 1.750 ( 13.765 -2.725 -5.353) 15.019 2.024 ( -9.047 0.475 1.610) 9.202 2.125 ( 7.140 0.983 7.081) 10.104 2.209 ( -8.105 -1.703 0.016) 8.283 2.352 ( 5.872 -0.197 15.165) 16.264 2.448 ( -6.645 4.099 -2.863) 8.316 2.522 ( -4.185 2.067 -2.625) 5.355 2.589 ( -3.664 -0.524 -4.809) 6.068 2.707 ( -4.758 -0.599 1.698) 5.087 2.826 ( -0.951 3.681 -2.006) 4.298 2.909 ( -1.538 0.141 -8.785) 8.920 3.125 ( 1.268 -1.752 3.639) 4.233 3.268 ( 11.608 -2.818 -1.584) 12.050 3.357 ( 1.641 -1.909 -2.658) 3.661 3.475 ( -2.977 1.077 1.839) 3.661 3.507 ( 2.386 -0.348 -1.157) 2.675 3.765 ( -13.689 -1.855 -7.635) 15.784 3.942 ( 0.823 -0.019 0.107) 0.830 3.988 ( -2.741 -1.604 -0.263) 3.187 4.308 ( 1.116 -1.097 5.693) 5.905 4.478 ( 2.015 2.244 -4.617) 5.515 4.622 ( 11.220 3.600 1.488) 11.877 4.642 ( -3.777 2.478 7.317) 8.599 4.694 ( 1.064 3.483 2.918) 4.667 4.792 ( 0.151 1.214 2.137) 2.463 4.853 ( -0.743 -1.881 1.325) 2.418 5.025 ( -1.181 -2.063 -4.362) 4.967 5.144 ( -4.410 0.544 3.755) 5.817 5.286 ( -6.531 0.050 0.971) 6.603 5.446 ( 6.471 -2.521 1.263) 7.059 5.513 ( 0.830 -1.901 2.514) 3.259 5.595 ( 3.085 2.838 -3.536) 5.484 5.755 ( -5.952 1.237 -3.313) 6.923 5.804 ( -1.745 -2.643 2.813) 4.236 6.020 ( -0.471 -1.194 -10.369) 10.448 7.497 ( -0.449 -1.565 0.407) 1.678 7.562 ( -3.526 -1.215 -0.531) 3.767 7.889 ( -0.794 4.734 5.198) 7.075 7.946 ( 0.488 2.356 1.725) 2.961 8.018 ( -2.735 1.954 -1.130) 3.546 8.037 ( -2.028 4.142 -2.294) 5.151 9.150 ( 1.883 1.008 2.324) 3.157 9.241 ( -0.473 -3.606 -2.768) 4.571 9.460 ( 1.704 1.048 6.589) 6.886 9.608 ( 4.300 -2.176 3.233) 5.803 9.773 ( 1.517 1.035 -1.821) 2.586 9.942 ( -2.884 -2.542 3.783) 5.394 10.161 ( 5.439 2.025 -6.273) 8.546 10.243 ( 0.370 -1.531 1.802) 2.393 10.317 ( 2.077 -3.134 -2.823) 4.702 10.450 ( 0.472 -1.209 -4.928) 5.096 12.477 ( 2.377 -4.544 0.352) 5.140 12.486 ( 2.515 -4.663 -0.662) 5.339 12.750 ( 2.254 0.254 -1.251) 2.590 12.803 ( -5.417 0.321 1.197) 5.557 12.935 ( -1.214 4.998 1.613) 5.390 12.941 ( -0.436 3.804 -0.219) 3.836 13.145 ( 4.975 -1.651 0.665) 5.284 13.298 ( -3.301 0.645 0.012) 3.363 13.481 ( -3.469 3.060 0.920) 4.716 13.535 ( -2.143 0.562 -2.439) 3.295 15.179 ( 2.500 1.025 -0.834) 2.828 15.256 ( -3.033 -0.857 -1.019) 3.313 15.436 ( 0.133 0.479 1.117) 1.223 15.452 ( -0.563 -0.688 0.587) 1.065 16.315 ( 1.161 -0.545 0.486) 1.372 16.326 ( 1.018 -1.154 -0.145) 1.546 20.009 ( 0.553 0.813 4.329) 4.440 20.095 ( 1.798 -0.177 -1.604) 2.416 20.277 ( -1.922 -0.335 3.182) 3.732 20.334 ( 1.950 -0.769 -3.495) 4.076 26.019 ( -0.026 0.052 0.119) 0.132 26.022 ( 0.050 -0.011 -0.113) 0.125 26.311 ( -2.784 -0.771 1.632) 3.318 26.364 ( 0.861 -0.645 -4.643) 4.766 26.588 ( 0.653 2.713 8.067) 8.536 26.710 ( 2.960 2.831 -1.882) 4.508 28.000 ( 1.349 -4.112 -0.059) 4.328 28.022 ( -0.422 -5.462 0.681) 5.521 28.154 ( 0.299 1.544 1.546) 2.205 28.219 ( 2.266 -1.042 -2.379) 3.446 28.383 ( 1.517 2.834 7.082) 7.777 28.487 ( 6.468 0.382 -1.944) 6.764 30.196 ( -1.884 -0.656 2.924) 3.540 30.393 ( 0.628 -1.216 4.382) 4.591 30.494 ( 0.902 -6.293 -2.592) 6.866 30.677 ( -13.741 2.934 -22.302) 26.359 30.954 ( 18.684 3.319 -2.084) 19.090 31.235 ( -23.737 5.412 9.579) 26.163 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -10.397 -4.240 5.400) 12.460 1.909 ( 13.292 -3.595 -2.492) 13.993 2.028 ( 2.757 1.130 1.161) 3.198 2.090 ( -6.565 -2.391 -4.034) 8.067 2.236 ( 5.492 4.037 6.350) 9.316 2.323 ( -4.879 1.976 -1.671) 5.523 2.388 ( -2.093 0.866 9.094) 9.372 2.495 ( 4.756 0.470 -2.005) 5.183 2.628 ( 3.455 -0.529 0.620) 3.550 2.678 ( -3.935 -2.618 -1.135) 4.861 2.743 ( 1.296 4.569 -1.567) 5.001 2.839 ( -2.113 1.289 -8.101) 8.471 3.165 ( 0.043 0.051 7.068) 7.069 3.294 ( 0.289 1.098 -4.378) 4.523 3.432 ( -7.170 -1.707 2.757) 7.869 3.468 ( 2.626 -2.032 0.212) 3.327 3.590 ( 7.586 -4.351 -0.979) 8.800 3.667 ( -5.566 -4.008 -7.994) 10.534 3.963 ( 2.439 -0.250 0.517) 2.505 3.982 ( -2.247 -0.516 -1.187) 2.593 4.374 ( 2.213 -3.053 1.537) 4.072 4.405 ( -2.574 3.933 -1.866) 5.057 4.557 ( -4.691 3.879 3.621) 7.082 4.621 ( 8.976 6.213 -3.040) 11.332 4.715 ( 5.617 2.691 6.240) 8.817 4.765 ( -1.486 2.416 0.777) 2.941 4.875 ( -1.309 -0.637 1.079) 1.812 4.946 ( -4.890 2.560 -5.858) 8.049 5.171 ( 1.501 -1.408 7.291) 7.576 5.246 ( -3.396 -1.970 0.032) 3.926 5.522 ( -0.187 0.743 -0.267) 0.812 5.562 ( 1.503 2.325 -1.884) 3.349 5.580 ( 4.915 -2.891 3.432) 6.655 5.679 ( -4.399 0.765 -5.079) 6.763 5.894 ( 2.457 -5.681 4.785) 7.824 6.002 ( -2.903 -2.813 -6.342) 7.521 7.547 ( -2.742 -1.189 -0.674) 3.064 7.557 ( 4.526 -3.087 -1.700) 5.737 7.822 ( 2.029 5.381 4.936) 7.578 7.882 ( -3.760 5.857 -1.057) 7.040 7.934 ( 0.011 1.108 2.260) 2.517 7.996 ( 0.596 0.438 -3.992) 4.059 9.183 ( 2.190 -0.505 4.135) 4.707 9.263 ( -1.621 -2.085 -4.393) 5.126 9.466 ( -0.316 2.166 6.499) 6.858 9.613 ( 0.290 2.707 -7.216) 7.712 9.815 ( 1.436 -1.044 10.845) 10.990 9.974 ( -5.056 -3.913 3.388) 7.236 10.132 ( 3.892 3.351 -6.611) 8.371 10.220 ( -1.698 0.225 -8.422) 8.595 10.404 ( 1.221 -3.409 5.017) 6.188 10.484 ( -0.118 -3.733 -2.905) 4.731 12.595 ( -2.735 -6.965 0.490) 7.499 12.609 ( 2.546 -7.268 -0.948) 7.759 12.729 ( -3.050 3.717 0.892) 4.891 12.743 ( 3.213 3.875 -0.551) 5.063 12.850 ( 0.263 3.157 0.938) 3.304 12.865 ( -0.172 3.480 -0.569) 3.530 13.221 ( 2.695 -0.913 1.291) 3.125 13.265 ( -0.363 -1.025 -2.728) 2.937 13.418 ( -2.099 2.080 3.585) 4.646 13.486 ( -0.458 2.074 -3.018) 3.691 15.174 ( -1.822 0.737 4.212) 4.648 15.256 ( 1.687 -0.773 -4.099) 4.500 15.438 ( 0.721 0.282 1.120) 1.361 15.455 ( -0.844 -0.524 -0.584) 1.152 16.334 ( -0.152 -0.615 0.770) 0.998 16.347 ( 0.170 -0.837 -0.600) 1.044 20.009 ( -0.784 1.152 4.602) 4.809 20.099 ( 1.434 0.184 -4.077) 4.326 20.276 ( -2.169 -0.409 3.627) 4.246 20.353 ( 2.394 -0.374 -3.531) 4.283 26.019 ( -0.067 -0.004 0.144) 0.159 26.022 ( 0.075 0.024 -0.150) 0.170 26.308 ( -3.213 -1.061 2.547) 4.235 26.378 ( 2.765 -1.266 -4.696) 5.595 26.561 ( -0.263 3.450 6.395) 7.271 26.666 ( 2.361 3.759 -3.994) 5.972 28.063 ( 0.239 0.596 1.531) 1.660 28.105 ( -1.008 -0.074 -2.944) 3.113 28.142 ( 1.434 -3.597 4.941) 6.278 28.253 ( -1.705 -5.112 -5.670) 7.822 28.364 ( -4.557 1.979 8.001) 9.418 28.511 ( 9.557 2.921 -5.027) 11.187 30.213 ( -1.117 -0.733 6.989) 7.116 30.446 ( -5.831 1.917 -13.963) 15.253 30.484 ( -0.355 -5.584 7.894) 9.676 30.635 ( -0.047 -10.956 -6.880) 12.937 30.955 ( -18.338 7.007 6.982) 20.836 31.044 ( 19.224 7.226 -2.493) 20.688 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -13.324 -7.523 3.645) 15.730 1.956 ( -2.730 3.505 1.388) 4.655 2.018 ( 6.960 5.392 6.355) 10.858 2.071 ( -1.527 -1.166 -8.867) 9.073 2.218 ( 1.086 6.733 -0.238) 6.824 2.258 ( 2.207 -1.284 0.015) 2.554 2.444 ( -1.043 -3.218 4.627) 5.732 2.544 ( 5.778 -0.428 -1.374) 5.955 2.578 ( -1.626 4.176 0.102) 4.482 2.657 ( 1.990 1.564 -5.483) 6.039 2.733 ( -5.191 -4.208 0.362) 6.692 2.848 ( 3.291 -2.387 -1.854) 4.468 3.176 ( -0.148 1.674 5.826) 6.063 3.284 ( 4.133 -0.210 -4.515) 6.125 3.415 ( -5.561 -1.641 3.132) 6.589 3.457 ( -0.258 3.248 0.165) 3.262 3.620 ( -7.503 -6.037 -3.021) 10.093 3.801 ( 7.769 -2.851 -1.553) 8.420 3.938 ( -2.977 2.391 -1.231) 4.012 3.996 ( 3.309 0.054 0.253) 3.320 4.325 ( -3.064 1.538 2.694) 4.360 4.440 ( 2.504 -0.809 -2.206) 3.434 4.476 ( -1.754 0.893 -0.159) 1.975 4.595 ( 9.131 6.182 -3.173) 11.475 4.680 ( -4.596 2.892 -2.128) 5.832 4.729 ( 2.361 2.163 3.263) 4.571 4.844 ( -1.489 0.539 0.623) 1.701 4.901 ( 3.565 2.450 0.528) 4.357 5.240 ( -0.455 -2.236 7.449) 7.791 5.288 ( -1.258 -4.798 1.712) 5.247 5.469 ( -2.015 2.445 -2.590) 4.093 5.526 ( -0.533 1.282 -3.561) 3.823 5.607 ( -3.742 0.768 -3.733) 5.341 5.674 ( 5.331 -1.270 1.233) 5.618 5.998 ( -5.351 -4.207 -2.840) 7.375 6.044 ( 3.289 -3.923 6.122) 7.980 7.535 ( -2.563 -0.827 0.202) 2.700 7.654 ( 6.652 -1.370 -4.238) 8.005 7.747 ( -5.811 1.993 0.576) 6.170 7.844 ( 5.470 -1.077 3.548) 6.608 7.943 ( 0.084 -0.991 1.443) 1.753 7.999 ( 2.736 -0.609 -2.714) 3.902 9.200 ( -3.124 0.945 1.002) 3.414 9.268 ( 2.103 -0.928 -2.177) 3.166 9.434 ( -1.919 3.221 6.015) 7.088 9.529 ( 0.422 3.350 -6.871) 7.656 9.848 ( -2.582 2.049 11.304) 11.775 9.977 ( -5.137 -2.246 -5.816) 8.078 10.110 ( 4.002 1.988 2.367) 5.057 10.182 ( 1.115 -0.270 -6.823) 6.919 10.467 ( -0.911 -1.057 4.039) 4.273 10.517 ( -0.729 -1.992 -3.652) 4.223 12.534 ( -8.078 4.239 0.576) 9.141 12.615 ( -4.231 5.370 -0.135) 6.838 12.743 ( 1.546 -5.139 -0.526) 5.392 12.778 ( 3.104 -0.318 -0.279) 3.132 12.859 ( 4.623 -2.663 -0.468) 5.356 12.873 ( 4.220 -1.914 0.817) 4.705 13.223 ( -1.490 -0.391 0.916) 1.792 13.300 ( 3.478 0.255 -3.382) 4.858 13.391 ( -4.149 -0.780 1.293) 4.415 13.475 ( 3.902 -0.563 1.168) 4.112 15.159 ( -3.849 -0.359 4.282) 5.769 15.270 ( 2.685 -0.011 -3.634) 4.518 15.439 ( -0.718 0.236 0.110) 0.764 15.460 ( 1.314 -0.248 -0.037) 1.338 16.332 ( -1.316 0.272 0.476) 1.426 16.352 ( 0.211 0.238 -0.320) 0.452 19.992 ( -2.124 1.311 4.929) 5.525 20.087 ( 1.037 0.185 -6.052) 6.143 20.285 ( -0.569 -0.532 4.325) 4.395 20.354 ( 1.781 1.198 -3.870) 4.425 26.018 ( -0.126 -0.020 0.040) 0.134 26.022 ( 0.135 0.005 -0.068) 0.151 26.303 ( -3.519 -1.011 3.106) 4.801 26.413 ( 3.114 -0.667 -2.165) 3.850 26.536 ( -0.281 1.087 1.814) 2.133 26.613 ( 3.272 3.306 -4.379) 6.389 27.979 ( -5.437 4.153 0.568) 6.865 28.077 ( 3.015 3.494 -1.784) 4.948 28.203 ( -6.919 1.745 1.607) 7.314 28.268 ( -0.411 -3.395 0.860) 3.526 28.362 ( -1.451 -3.657 3.189) 5.064 28.546 ( 10.351 2.337 -7.586) 13.044 30.246 ( -0.245 0.054 9.706) 9.709 30.343 ( -1.058 0.653 -8.264) 8.357 30.632 ( -6.576 -3.076 8.485) 11.167 30.755 ( -7.588 -3.679 9.398) 12.627 30.812 ( -0.604 -13.155 -9.832) 16.435 31.061 ( 15.359 8.793 -4.063) 18.158 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -4.528 0.043 0.516) 4.557 1.876 ( 2.742 7.645 -2.900) 8.624 1.970 ( 6.401 8.076 7.382) 12.677 2.031 ( 2.202 6.117 -5.663) 8.622 2.115 ( -5.091 -2.741 2.022) 6.125 2.345 ( 0.735 -4.813 1.946) 5.243 2.465 ( -5.814 -2.177 3.932) 7.349 2.529 ( -3.100 -2.418 -0.619) 3.980 2.617 ( 3.055 -4.292 -6.222) 8.153 2.673 ( 3.402 -1.940 -2.990) 4.928 2.783 ( -3.317 -5.464 1.019) 6.473 2.873 ( -1.272 -0.294 -1.376) 1.897 3.155 ( -0.287 2.387 3.164) 3.974 3.331 ( 5.409 0.168 -3.045) 6.209 3.367 ( -1.102 2.780 -5.247) 6.039 3.410 ( 1.601 4.242 8.014) 9.208 3.642 ( -5.441 -5.336 -5.200) 9.226 3.814 ( -0.615 5.213 3.864) 6.519 3.875 ( -0.506 0.295 -1.813) 1.906 4.029 ( 3.004 -0.379 -0.189) 3.034 4.268 ( -3.481 2.163 -1.733) 4.449 4.431 ( 0.093 0.780 0.579) 0.976 4.507 ( 5.004 1.940 -5.132) 7.426 4.566 ( 1.474 1.525 5.864) 6.236 4.615 ( 0.057 1.625 -1.900) 2.501 4.740 ( 2.270 -1.505 -3.303) 4.281 4.852 ( 1.613 0.139 2.241) 2.764 4.907 ( 3.843 1.721 3.282) 5.339 5.260 ( -3.646 0.850 5.601) 6.737 5.374 ( -1.660 -5.479 -0.499) 5.747 5.413 ( -1.801 1.753 1.862) 3.128 5.513 ( -0.610 -4.274 -7.512) 8.664 5.566 ( -2.574 -0.871 -0.052) 2.718 5.749 ( 5.648 -2.061 -0.705) 6.053 5.985 ( -6.229 -2.543 -3.844) 7.749 6.122 ( 0.422 0.415 7.617) 7.640 7.530 ( -2.160 -1.223 0.613) 2.556 7.652 ( -3.463 -1.263 -2.599) 4.510 7.747 ( 1.589 -1.526 1.248) 2.532 7.940 ( 0.473 -2.820 2.321) 3.683 8.005 ( 3.050 -4.038 -1.191) 5.198 8.053 ( 4.588 -3.245 -0.671) 5.660 9.108 ( -5.728 3.422 -2.459) 7.111 9.301 ( 2.654 0.222 0.533) 2.716 9.386 ( -0.225 2.942 4.896) 5.716 9.465 ( 1.462 3.488 -3.561) 5.194 9.818 ( -2.628 1.851 7.446) 8.110 9.921 ( -1.413 -0.004 -11.166) 11.255 10.148 ( 3.257 0.962 7.723) 8.436 10.186 ( 2.189 0.729 -1.083) 2.549 10.427 ( -2.877 3.745 -1.293) 4.897 10.518 ( 0.500 0.635 -2.725) 2.843 12.401 ( -4.102 4.145 0.476) 5.851 12.495 ( -1.933 4.675 -0.292) 5.067 12.769 ( -1.316 -1.009 0.256) 1.678 12.828 ( 0.066 -2.552 -1.425) 2.923 12.937 ( 4.153 -1.723 -0.543) 4.529 12.985 ( 5.269 -2.260 1.399) 5.902 13.223 ( -0.663 0.228 2.986) 3.067 13.285 ( 1.692 2.402 -3.968) 4.938 13.391 ( -4.274 -4.617 -1.350) 6.434 13.563 ( 3.595 -3.273 3.153) 5.795 15.151 ( -4.326 -1.883 2.633) 5.403 15.281 ( 1.805 -0.382 -2.687) 3.260 15.425 ( -0.774 0.277 -0.529) 0.977 15.478 ( 1.899 0.386 0.905) 2.139 16.308 ( -0.877 1.227 0.145) 1.515 16.341 ( 0.583 1.404 0.078) 1.523 19.968 ( -2.319 1.219 5.103) 5.736 20.070 ( 0.999 0.138 -5.746) 5.834 20.306 ( 0.052 0.740 -2.399) 2.511 20.325 ( 1.869 1.509 2.183) 3.246 26.018 ( -0.095 -0.054 -0.057) 0.123 26.023 ( 0.098 0.047 0.017) 0.111 26.306 ( -2.529 -1.423 3.762) 4.751 26.441 ( 1.842 0.159 2.690) 3.264 26.509 ( -1.117 0.649 -6.048) 6.185 26.605 ( 4.758 1.298 -2.194) 5.398 27.870 ( -4.046 2.725 -0.144) 4.880 28.027 ( -0.808 3.692 -0.742) 3.852 28.087 ( -3.558 2.692 -0.494) 4.489 28.334 ( 0.459 -1.752 3.782) 4.193 28.401 ( 0.916 0.576 2.013) 2.286 28.544 ( 7.237 4.870 -8.265) 12.016 30.276 ( 0.279 0.856 9.333) 9.377 30.330 ( 2.211 -0.651 -2.883) 3.691 30.496 ( -7.929 4.949 1.812) 9.521 30.902 ( 8.693 6.480 -5.429) 12.126 31.015 ( -5.507 -18.955 17.394) 26.309 31.103 ( -2.013 -13.723 -13.813) 19.575 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -4.045 -0.000 3.921) 5.633 1.855 ( 12.649 0.000 -7.288) 14.598 1.987 ( 6.322 0.000 4.159) 7.567 2.046 ( -12.756 -0.000 -0.749) 12.778 2.297 ( 11.929 0.000 8.899) 14.882 2.424 ( -6.207 -0.000 -4.485) 7.658 2.449 ( -3.979 -0.000 10.423) 11.157 2.474 ( -3.150 -0.000 -1.011) 3.308 2.537 ( 5.063 0.000 -2.486) 5.641 2.660 ( -2.415 -0.000 -0.904) 2.578 2.850 ( -1.123 -0.000 -1.600) 1.955 2.877 ( 0.868 0.000 -6.341) 6.400 3.159 ( 4.682 0.000 4.535) 6.518 3.311 ( -1.715 -0.000 -5.890) 6.135 3.356 ( -18.168 -0.000 -0.800) 18.186 3.375 ( 11.229 0.000 1.534) 11.333 3.565 ( 7.640 0.000 -0.558) 7.660 3.615 ( -7.202 -0.000 -4.281) 8.378 3.952 ( -1.310 -0.000 -0.048) 1.311 3.952 ( 1.774 0.000 -0.087) 1.776 4.328 ( -0.694 -0.000 8.248) 8.278 4.485 ( -0.339 -0.000 -7.587) 7.595 4.644 ( -5.513 -0.000 6.205) 8.301 4.741 ( 1.960 0.000 -0.883) 2.150 4.788 ( 8.642 0.000 5.422) 10.202 4.816 ( -0.128 -0.000 2.148) 2.152 4.836 ( 3.760 0.000 0.670) 3.820 4.962 ( -1.630 -0.000 -9.579) 9.717 5.164 ( 2.040 0.000 6.628) 6.935 5.225 ( -5.975 -0.000 0.156) 5.977 5.492 ( 6.822 0.000 2.387) 7.227 5.493 ( -2.278 -0.000 1.600) 2.784 5.645 ( 3.783 0.000 -2.784) 4.697 5.672 ( -7.941 -0.000 -4.426) 9.091 5.788 ( -1.117 -0.000 6.706) 6.798 5.967 ( 0.131 0.000 -11.874) 11.875 7.493 ( 2.030 0.000 1.568) 2.565 7.527 ( -0.809 -0.000 -1.889) 2.056 7.923 ( -0.219 -0.000 4.366) 4.371 7.999 ( 0.461 0.000 -3.063) 3.097 8.022 ( 2.159 0.000 3.008) 3.703 8.065 ( -2.003 -0.000 -0.868) 2.183 9.182 ( -0.050 -0.000 -0.433) 0.435 9.186 ( -0.031 -0.000 -0.127) 0.131 9.502 ( -0.635 -0.000 7.341) 7.369 9.635 ( 3.755 0.000 -1.322) 3.981 9.787 ( 0.379 0.000 1.926) 1.963 9.893 ( -3.593 -0.000 -1.282) 3.814 10.225 ( -2.582 -0.000 1.268) 2.877 10.228 ( 3.315 0.000 0.868) 3.427 10.292 ( 2.004 0.000 -1.370) 2.427 10.391 ( -3.289 -0.000 -8.141) 8.780 12.440 ( -0.614 -0.000 0.781) 0.993 12.457 ( 0.634 0.000 -0.986) 1.172 12.766 ( -3.981 -0.000 0.820) 4.065 12.779 ( 3.799 0.000 -0.531) 3.836 12.968 ( -2.290 -0.000 1.595) 2.790 12.992 ( 2.828 0.000 -0.772) 2.932 13.198 ( 7.278 0.000 1.711) 7.476 13.253 ( -4.781 -0.000 -3.659) 6.020 13.471 ( -4.636 -0.000 4.145) 6.219 13.541 ( 2.315 0.000 -2.882) 3.697 15.198 ( -5.494 -0.000 0.567) 5.524 15.223 ( 4.817 0.000 -2.067) 5.241 15.444 ( -0.350 -0.000 1.063) 1.119 15.449 ( 0.510 0.000 0.447) 0.678 16.315 ( -0.472 -0.000 0.516) 0.699 16.323 ( 0.603 0.000 -0.308) 0.677 20.034 ( -0.432 -0.000 4.198) 4.220 20.101 ( 1.128 0.000 -1.932) 2.237 20.260 ( -2.927 -0.000 3.226) 4.356 20.340 ( 3.510 0.000 -4.178) 5.457 26.020 ( -0.008 -0.000 0.067) 0.068 26.021 ( 0.002 0.000 -0.059) 0.059 26.289 ( -1.831 -0.000 2.356) 2.984 26.354 ( 1.788 0.000 -4.536) 4.875 26.645 ( -0.381 -0.000 7.360) 7.370 26.759 ( 3.109 0.000 -3.661) 4.803 27.958 ( 0.134 0.000 0.343) 0.368 27.968 ( -0.146 -0.000 -0.654) 0.670 28.168 ( -1.698 -0.000 3.255) 3.671 28.236 ( 1.892 0.000 -3.017) 3.561 28.400 ( -6.336 -0.000 8.815) 10.856 28.578 ( 11.316 0.000 -7.175) 13.399 30.200 ( -0.490 -0.000 8.952) 8.966 30.401 ( 0.049 0.000 1.720) 1.721 30.433 ( -0.022 -0.000 -0.900) 0.900 30.502 ( -9.614 -0.000 -18.781) 21.099 31.086 ( -22.356 -0.000 7.587) 23.608 31.181 ( 23.267 0.000 -2.567) 23.408 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -18.257 -1.622 3.193) 18.605 1.834 ( -16.602 -5.726 -7.064) 18.929 2.046 ( 12.139 1.566 -0.372) 12.245 2.124 ( 9.840 -0.596 1.901) 10.039 2.305 ( -5.561 1.951 -4.325) 7.310 2.381 ( 1.434 3.394 4.340) 5.693 2.412 ( 0.037 0.330 5.385) 5.395 2.488 ( -1.061 -2.384 2.569) 3.661 2.616 ( 5.107 1.004 -2.684) 5.856 2.679 ( 6.702 -1.830 0.467) 6.963 2.816 ( 0.002 2.187 -0.555) 2.257 2.850 ( 1.703 2.355 -4.998) 5.782 3.176 ( -13.182 -2.751 1.248) 13.523 3.238 ( -1.542 -1.841 3.218) 4.015 3.286 ( -1.804 -0.117 -1.864) 2.597 3.472 ( 3.021 -1.049 2.582) 4.110 3.556 ( -3.345 -0.081 -3.785) 5.052 3.675 ( 13.527 -1.659 0.363) 13.633 3.953 ( -0.357 -0.728 -0.923) 1.229 3.980 ( 2.566 -0.564 0.445) 2.665 4.360 ( -0.797 -1.271 5.644) 5.840 4.429 ( -1.020 1.819 -5.394) 5.783 4.582 ( -5.343 3.051 2.593) 6.677 4.734 ( 1.830 2.190 0.360) 2.877 4.776 ( -2.754 2.145 -0.881) 3.600 4.831 ( -2.651 -0.410 0.495) 2.728 4.879 ( 6.234 3.369 -4.868) 8.597 4.962 ( 7.985 -0.351 -0.927) 8.047 5.188 ( -2.095 -0.402 0.741) 2.259 5.223 ( 4.557 0.380 7.015) 8.374 5.487 ( -4.180 -2.495 -0.880) 4.946 5.558 ( -3.674 0.670 -2.349) 4.412 5.603 ( 1.655 -2.092 2.525) 3.673 5.646 ( 0.510 1.818 -2.007) 2.755 5.852 ( 1.824 -4.274 6.897) 8.316 5.927 ( -0.518 -0.630 -8.923) 8.960 7.523 ( 0.986 -0.077 -2.064) 2.289 7.555 ( 5.947 -2.448 0.172) 6.433 7.931 ( 0.934 2.909 4.321) 5.292 7.977 ( -1.050 4.914 -0.065) 5.025 7.981 ( 1.485 4.298 -2.116) 5.016 8.020 ( 3.077 2.409 -0.357) 3.924 9.187 ( -0.884 -0.981 0.672) 1.482 9.204 ( -0.137 -2.162 -1.154) 2.455 9.508 ( -2.375 0.881 7.341) 7.765 9.624 ( 0.030 1.778 -8.378) 8.564 9.833 ( -0.028 -2.391 10.009) 10.291 9.867 ( -4.715 -2.832 -2.792) 6.168 10.157 ( -5.134 2.233 -2.661) 6.199 10.223 ( 2.397 2.418 -1.347) 3.661 10.355 ( -1.976 -4.220 1.208) 4.813 10.375 ( -2.198 -4.965 -2.808) 6.113 12.469 ( -3.083 -4.404 0.620) 5.411 12.491 ( -1.790 -4.611 -0.722) 4.998 12.732 ( -3.028 0.218 0.661) 3.107 12.819 ( 5.540 0.272 -0.483) 5.567 12.924 ( 0.167 3.555 1.084) 3.720 12.969 ( 3.032 5.561 -1.138) 6.435 13.195 ( -3.915 -0.560 -4.288) 5.833 13.284 ( 7.701 -0.466 0.883) 7.765 13.438 ( -2.893 1.665 4.722) 5.783 13.538 ( 3.230 2.306 -1.757) 4.340 15.149 ( -5.448 -0.294 1.567) 5.677 15.267 ( 4.538 -0.318 -1.662) 4.843 15.445 ( -0.204 -0.086 0.309) 0.381 15.454 ( 0.870 0.306 0.348) 0.986 16.314 ( -1.552 -0.746 0.426) 1.774 16.330 ( -0.393 -0.869 -0.400) 1.034 20.033 ( -1.520 0.871 3.984) 4.352 20.094 ( 0.020 0.263 -3.949) 3.958 20.254 ( -2.445 -0.863 3.914) 4.695 20.365 ( 4.163 -0.309 -4.407) 6.070 26.019 ( -0.038 0.064 0.122) 0.143 26.021 ( 0.014 -0.028 -0.118) 0.122 26.288 ( -1.119 -0.017 2.557) 2.791 26.369 ( 2.935 -1.216 -3.693) 4.871 26.631 ( -1.677 3.205 5.163) 6.304 26.737 ( 2.717 3.124 -5.607) 6.970 28.001 ( -1.469 -4.731 -0.172) 4.957 28.029 ( 1.465 -6.050 -0.037) 6.225 28.139 ( -3.937 1.810 3.356) 5.480 28.219 ( 0.203 1.306 -3.485) 3.727 28.353 ( -8.068 0.780 6.845) 10.609 28.625 ( 9.540 1.823 -11.060) 14.719 30.258 ( 2.306 0.379 16.926) 17.087 30.363 ( -4.037 0.392 -12.550) 13.189 30.430 ( -0.817 -2.866 3.950) 4.948 30.472 ( -0.845 -5.302 -3.385) 6.347 30.884 ( -18.490 3.110 5.536) 19.550 31.358 ( 24.524 5.583 -3.643) 25.414 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -19.150 -7.533 6.493) 21.578 1.774 ( -16.996 -9.760 -3.922) 19.988 2.091 ( 5.913 4.403 -3.134) 8.011 2.159 ( -2.145 -1.939 -3.729) 4.718 2.254 ( 6.077 4.296 0.445) 7.456 2.359 ( 0.930 1.934 5.316) 5.732 2.424 ( -0.249 -0.403 -0.989) 1.096 2.536 ( 1.470 -0.676 3.880) 4.204 2.632 ( 7.270 0.916 -8.455) 11.188 2.722 ( 3.357 4.836 5.030) 7.743 2.746 ( 0.454 4.804 -3.255) 5.821 2.860 ( 4.247 -0.726 0.084) 4.310 3.152 ( -15.237 -9.639 4.415) 18.563 3.255 ( 0.076 1.265 3.554) 3.773 3.290 ( 2.917 -1.072 -2.916) 4.262 3.486 ( -0.607 1.325 1.207) 1.892 3.527 ( -1.681 -1.454 -2.874) 3.633 3.830 ( 8.390 -1.216 0.704) 8.507 3.946 ( -0.023 0.865 -1.664) 1.875 4.021 ( 2.544 -0.715 1.048) 2.843 4.333 ( -2.526 1.813 -1.492) 3.449 4.453 ( 4.326 -2.606 1.812) 5.366 4.480 ( -4.317 3.163 -1.173) 5.479 4.667 ( -5.445 3.163 -2.669) 6.840 4.718 ( 2.701 2.362 -4.232) 5.549 4.796 ( 1.304 2.919 -2.322) 3.951 4.873 ( 2.663 1.300 0.717) 3.049 5.039 ( 8.747 2.754 4.086) 10.039 5.201 ( 0.042 -1.871 0.466) 1.929 5.281 ( 3.547 0.867 7.302) 8.164 5.460 ( -4.773 1.811 -1.143) 5.232 5.484 ( -5.953 -2.163 -3.254) 7.121 5.587 ( -1.428 2.210 -4.629) 5.325 5.691 ( 2.981 -2.427 3.541) 5.226 5.895 ( -1.688 -1.098 -4.184) 4.644 6.013 ( 3.358 -6.142 5.929) 9.173 7.525 ( 1.336 0.633 -1.160) 1.879 7.675 ( 8.612 -2.984 -3.127) 9.636 7.796 ( -3.022 8.187 -0.583) 8.746 7.927 ( 3.805 3.170 4.749) 6.862 7.959 ( 1.722 1.651 0.201) 2.395 8.031 ( 4.653 0.844 -1.373) 4.925 9.165 ( -3.580 0.179 -3.013) 4.682 9.258 ( 1.335 -2.551 1.311) 3.163 9.479 ( -3.429 2.131 4.292) 5.892 9.554 ( -0.419 2.106 -3.662) 4.245 9.846 ( -6.406 -3.701 -5.925) 9.478 9.891 ( -3.701 1.397 11.415) 12.081 10.104 ( -0.906 -3.104 -4.674) 5.683 10.210 ( 2.632 1.725 1.587) 3.524 10.401 ( -4.651 -6.316 -2.907) 8.365 10.430 ( -2.342 -2.817 1.087) 3.821 12.475 ( -7.491 -1.166 0.219) 7.585 12.535 ( -6.231 -4.022 0.113) 7.418 12.727 ( 0.139 -1.621 0.688) 1.766 12.861 ( 1.903 3.784 -0.276) 4.244 12.898 ( 8.860 0.922 -1.406) 9.018 12.912 ( 3.801 1.779 0.185) 4.201 13.173 ( -1.984 -2.099 -2.896) 4.090 13.349 ( 5.691 0.911 -2.239) 6.183 13.391 ( -1.967 2.989 3.420) 4.950 13.536 ( 4.612 1.704 2.019) 5.315 15.115 ( -5.079 -0.736 2.387) 5.660 15.298 ( 3.642 0.715 -1.668) 4.069 15.439 ( -0.132 0.494 -0.596) 0.785 15.468 ( 1.242 -0.553 0.732) 1.544 16.311 ( -2.091 -0.793 0.247) 2.250 16.340 ( -0.888 -1.144 -0.276) 1.474 20.009 ( -2.499 1.315 3.801) 4.735 20.069 ( -0.571 0.000 -4.854) 4.887 20.270 ( -1.565 -1.384 3.454) 4.037 20.387 ( 3.995 0.713 -4.310) 5.919 26.018 ( -0.068 0.070 0.094) 0.136 26.022 ( 0.058 -0.063 -0.112) 0.140 26.285 ( -0.970 0.204 2.838) 3.006 26.417 ( 3.552 -1.697 -2.242) 4.530 26.564 ( -2.533 3.229 1.703) 4.444 26.688 ( 3.495 3.272 -5.753) 7.484 27.996 ( -5.156 3.275 0.285) 6.115 28.096 ( -2.580 -1.292 1.563) 3.282 28.149 ( -3.727 -3.616 -4.408) 6.811 28.189 ( -0.446 -1.735 2.639) 3.189 28.305 ( -3.773 -2.201 3.868) 5.835 28.637 ( 8.076 1.006 -13.057) 15.386 30.301 ( -0.281 -0.182 -4.791) 4.803 30.352 ( 4.775 2.463 19.540) 20.265 30.523 ( -2.702 -6.669 7.165) 10.155 30.557 ( -2.090 -8.869 -6.889) 11.423 30.693 ( -12.732 2.583 4.255) 13.671 31.424 ( 22.339 12.016 -4.750) 25.806 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -13.012 -13.421 9.795) 21.104 1.801 ( -11.497 -11.093 -4.072) 16.487 2.018 ( 3.594 6.265 -2.588) 7.673 2.173 ( -1.674 -3.293 -3.781) 5.286 2.241 ( 9.299 7.827 3.876) 12.757 2.350 ( 1.117 2.786 2.062) 3.642 2.424 ( -1.208 -1.184 -2.512) 3.028 2.516 ( 0.200 5.024 0.780) 5.088 2.627 ( 4.379 2.907 -6.806) 8.599 2.694 ( 3.556 1.324 -2.377) 4.477 2.724 ( 2.444 0.877 5.435) 6.024 2.870 ( -1.112 1.440 -0.305) 1.845 3.210 ( -3.221 -1.843 3.331) 4.987 3.236 ( -9.005 -7.435 0.632) 11.695 3.344 ( 3.651 -1.841 -2.520) 4.803 3.452 ( -1.016 1.830 2.149) 2.999 3.540 ( 0.303 -1.356 -2.045) 2.472 3.868 ( 1.055 0.344 -1.397) 1.785 3.899 ( 0.036 3.917 -0.736) 3.986 4.049 ( 1.460 0.113 0.461) 1.535 4.269 ( -3.003 2.528 -0.836) 4.014 4.420 ( -3.052 -1.019 0.682) 3.289 4.546 ( 1.022 1.122 -3.589) 3.897 4.581 ( 2.216 -0.783 3.189) 3.961 4.698 ( 3.059 0.470 -7.428) 8.047 4.741 ( 1.939 4.344 -3.726) 6.043 4.886 ( 1.568 0.566 3.025) 3.453 5.054 ( 6.432 6.297 6.677) 11.208 5.246 ( -0.636 -3.369 -1.452) 3.724 5.304 ( -0.768 2.220 8.651) 8.964 5.402 ( -1.434 -0.928 -2.885) 3.353 5.451 ( -3.609 -0.703 -3.140) 4.835 5.538 ( -0.770 0.166 -2.213) 2.349 5.767 ( 2.886 -2.303 0.744) 3.766 5.880 ( -3.034 -1.212 -2.350) 4.025 6.134 ( 0.861 -2.725 5.384) 6.096 7.520 ( 0.676 0.618 -0.084) 0.920 7.644 ( -1.719 5.089 -1.402) 5.552 7.771 ( 5.163 -0.278 -1.416) 5.361 7.944 ( 1.037 1.504 2.000) 2.709 7.993 ( 4.812 -1.985 1.253) 5.354 8.065 ( 4.730 -0.434 -0.584) 4.786 9.092 ( -4.511 2.075 -3.705) 6.196 9.306 ( 0.422 -1.375 1.044) 1.777 9.427 ( -1.156 1.415 -0.569) 1.913 9.526 ( 0.702 2.063 4.383) 4.895 9.807 ( -6.106 -1.976 -7.837) 10.130 9.856 ( -2.339 0.378 4.393) 4.991 10.166 ( 1.121 -3.293 -0.740) 3.556 10.233 ( 2.524 0.556 6.585) 7.074 10.419 ( -3.119 -0.499 -3.175) 4.479 10.451 ( -3.834 -4.782 -2.501) 6.619 12.401 ( -5.434 1.161 0.249) 5.562 12.497 ( -5.758 0.276 0.099) 5.766 12.768 ( 0.308 -0.418 0.427) 0.673 12.810 ( 1.748 1.145 -0.511) 2.151 12.949 ( 3.132 -0.906 0.199) 3.266 13.004 ( 6.836 -2.276 -0.744) 7.244 13.201 ( -0.561 -2.971 -0.533) 3.071 13.326 ( -1.201 1.424 -2.012) 2.742 13.353 ( 2.787 3.731 -0.169) 4.660 13.583 ( 4.034 -0.295 3.565) 5.392 15.094 ( -4.173 -0.999 2.601) 5.017 15.302 ( 2.445 1.307 -1.979) 3.406 15.425 ( -0.177 0.613 -0.590) 0.869 15.494 ( 1.220 -0.622 0.663) 1.521 16.303 ( -1.594 -0.429 0.146) 1.657 16.348 ( -0.649 -0.705 -0.072) 0.961 19.981 ( -2.192 0.869 4.018) 4.659 20.051 ( -0.293 -0.383 -4.326) 4.353 20.288 ( -1.483 -1.354 0.608) 2.098 20.383 ( 3.345 2.112 -2.390) 4.622 26.017 ( -0.051 0.041 0.020) 0.069 26.023 ( 0.064 -0.057 -0.056) 0.102 26.291 ( -0.322 -0.304 3.762) 3.788 26.460 ( 1.808 -0.647 -0.656) 2.030 26.502 ( -1.763 1.807 -1.042) 2.731 26.660 ( 3.976 1.836 -5.593) 7.103 27.881 ( -4.428 3.501 0.283) 5.652 28.037 ( -6.369 2.581 0.019) 6.873 28.095 ( -0.968 0.552 -3.014) 3.213 28.285 ( -0.544 -4.727 4.045) 6.245 28.375 ( -0.737 -4.685 2.958) 5.589 28.637 ( 6.252 1.787 -12.880) 14.428 30.310 ( 2.265 -1.458 -2.189) 3.471 30.413 ( 4.313 4.985 19.266) 20.362 30.494 ( -7.840 3.527 3.350) 9.227 30.665 ( -4.257 -12.109 -11.614) 17.310 30.750 ( -4.981 -12.642 11.205) 17.612 31.351 ( 17.255 16.875 -5.853) 24.834 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -20.090 -0.000 4.402) 20.566 1.527 ( -25.064 -0.000 -10.454) 27.157 2.177 ( 1.460 0.000 -3.522) 3.813 2.180 ( -0.424 -0.000 -0.936) 1.028 2.219 ( 0.176 0.000 -2.570) 2.576 2.358 ( -8.573 -0.000 8.043) 11.755 2.448 ( 6.141 0.000 2.743) 6.726 2.574 ( 9.696 0.000 3.040) 10.162 2.699 ( 8.191 0.000 -4.051) 9.138 2.713 ( 4.966 0.000 3.870) 6.296 2.821 ( 0.997 0.000 -1.893) 2.140 2.879 ( 2.573 0.000 -3.161) 4.076 3.011 ( -9.173 -0.000 0.596) 9.192 3.261 ( -0.069 -0.000 -4.723) 4.723 3.284 ( 2.425 0.000 5.779) 6.267 3.502 ( 1.130 0.000 3.223) 3.416 3.512 ( -3.193 -0.000 -3.145) 4.482 3.801 ( 13.332 0.000 3.319) 13.739 3.949 ( 1.362 0.000 -0.695) 1.529 4.005 ( 3.054 0.000 0.359) 3.075 4.361 ( -1.874 -0.000 6.920) 7.169 4.398 ( -2.089 -0.000 -7.177) 7.475 4.568 ( -4.714 -0.000 0.454) 4.736 4.749 ( -1.695 -0.000 -2.386) 2.927 4.757 ( -5.465 -0.000 -3.037) 6.252 4.802 ( -1.340 -0.000 4.997) 5.174 4.912 ( 2.486 0.000 -4.537) 5.174 5.030 ( 6.808 0.000 -9.022) 11.303 5.225 ( 7.189 0.000 1.604) 7.366 5.317 ( 6.880 0.000 8.403) 10.860 5.396 ( -5.947 -0.000 -3.932) 7.129 5.510 ( -7.009 -0.000 1.523) 7.172 5.591 ( 1.916 0.000 -7.713) 7.947 5.699 ( 2.429 0.000 8.508) 8.848 5.853 ( 1.839 0.000 8.118) 8.323 5.904 ( 2.491 0.000 -5.269) 5.829 7.542 ( 4.134 0.000 -2.472) 4.816 7.599 ( 7.733 0.000 -0.208) 7.736 7.982 ( 0.618 0.000 1.685) 1.795 8.015 ( 4.140 0.000 -3.512) 5.429 8.028 ( 1.643 0.000 -0.506) 1.719 8.093 ( 2.615 0.000 2.344) 3.512 9.168 ( -1.334 -0.000 0.416) 1.397 9.173 ( -1.001 -0.000 -0.739) 1.244 9.507 ( -4.221 -0.000 5.809) 7.181 9.596 ( -1.775 -0.000 -10.714) 10.860 9.770 ( -6.025 -0.000 -4.111) 7.294 9.848 ( -0.236 -0.000 10.399) 10.402 10.125 ( -7.129 -0.000 0.188) 7.132 10.220 ( -7.947 -0.000 -5.426) 9.623 10.269 ( -0.040 -0.000 -0.039) 0.056 10.335 ( -0.298 -0.000 5.384) 5.393 12.404 ( -3.476 -0.000 0.670) 3.540 12.432 ( -2.150 -0.000 -0.722) 2.268 12.692 ( -5.328 -0.000 0.842) 5.394 12.876 ( 6.350 0.000 -0.614) 6.379 12.963 ( 1.577 0.000 1.069) 1.906 13.044 ( 2.707 0.000 -2.510) 3.691 13.134 ( -2.891 -0.000 -5.464) 6.182 13.363 ( 7.909 0.000 -0.173) 7.911 13.452 ( -1.570 -0.000 5.611) 5.827 13.592 ( 4.586 0.000 -0.546) 4.619 15.099 ( -5.050 -0.000 2.347) 5.569 15.307 ( 4.662 0.000 -0.545) 4.694 15.445 ( -0.025 -0.000 0.299) 0.300 15.465 ( 1.057 0.000 -0.617) 1.224 16.290 ( -2.116 -0.000 0.360) 2.147 16.311 ( -1.441 -0.000 -0.625) 1.571 20.035 ( -2.300 -0.000 3.163) 3.911 20.074 ( -1.407 -0.000 -4.435) 4.653 20.242 ( -1.791 -0.000 4.334) 4.689 20.384 ( 4.367 0.000 -5.921) 7.357 26.020 ( -0.020 -0.000 0.067) 0.070 26.020 ( -0.027 -0.000 -0.055) 0.062 26.301 ( 1.014 0.000 2.552) 2.746 26.371 ( 2.889 0.000 -2.848) 4.057 26.664 ( -1.982 -0.000 3.836) 4.318 26.752 ( 0.873 0.000 -8.929) 8.971 27.964 ( 0.255 0.000 -0.683) 0.729 27.964 ( 0.080 0.000 0.502) 0.508 28.138 ( -3.884 -0.000 3.136) 4.992 28.208 ( -1.878 -0.000 -3.611) 4.070 28.294 ( -9.946 -0.000 6.173) 11.705 28.647 ( 4.091 0.000 -17.826) 18.289 30.295 ( -1.489 -0.000 -8.793) 8.918 30.394 ( 3.412 0.000 12.377) 12.839 30.406 ( -1.201 -0.000 1.499) 1.920 30.428 ( 4.686 0.000 16.198) 16.862 30.758 ( -16.037 -0.000 4.321) 16.609 31.645 ( 27.197 0.000 -4.779) 27.614 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -22.267 -4.270 4.791) 23.174 1.380 ( -21.869 -10.429 -1.404) 24.269 2.066 ( -6.645 -0.235 -8.191) 10.550 2.148 ( -7.258 -1.094 -5.004) 8.884 2.239 ( -9.312 -2.458 13.525) 16.604 2.383 ( 7.009 -0.261 0.799) 7.059 2.522 ( 10.344 2.797 0.889) 10.752 2.633 ( 8.291 3.400 2.260) 9.242 2.735 ( 9.069 3.321 -2.905) 10.085 2.795 ( 2.878 -1.740 0.104) 3.365 2.819 ( 1.802 3.324 -0.375) 3.799 2.881 ( 3.762 0.153 -2.017) 4.271 2.972 ( -4.150 -0.266 2.929) 5.087 3.261 ( 2.266 -1.364 -4.347) 5.089 3.316 ( 0.243 0.244 4.113) 4.127 3.471 ( -3.004 -0.812 -3.227) 4.483 3.505 ( -0.999 0.802 1.945) 2.329 3.920 ( 6.936 1.238 1.744) 7.258 3.959 ( 2.452 0.306 -1.864) 3.095 4.038 ( 2.443 -0.407 1.433) 2.861 4.324 ( -1.785 1.236 -4.460) 4.960 4.427 ( 1.019 -4.644 2.029) 5.170 4.487 ( -4.874 3.482 -1.651) 6.213 4.656 ( -5.200 2.722 -2.050) 6.217 4.715 ( -3.131 -0.004 -4.631) 5.590 4.825 ( 0.181 -0.808 3.301) 3.403 4.916 ( 2.577 1.347 -5.382) 6.118 5.044 ( 0.923 -2.299 -6.090) 6.574 5.283 ( 6.460 1.809 -0.531) 6.730 5.352 ( -4.697 -2.726 -3.312) 6.361 5.401 ( 6.123 1.477 3.747) 7.329 5.455 ( -3.512 1.415 7.612) 8.502 5.563 ( -2.094 -0.695 -8.844) 9.115 5.726 ( 1.491 2.654 8.688) 9.206 5.925 ( 7.279 2.679 0.369) 7.765 5.973 ( 4.684 -5.051 8.213) 10.719 7.565 ( 4.345 1.450 -2.355) 5.151 7.703 ( 9.529 -2.699 -2.890) 10.317 7.911 ( -1.045 6.725 -1.006) 6.879 8.023 ( 4.428 2.797 -1.904) 5.572 8.046 ( 4.208 3.488 3.797) 6.656 8.099 ( 4.589 1.946 0.441) 5.004 9.132 ( -2.490 0.916 -2.374) 3.560 9.212 ( -0.674 -3.942 1.218) 4.181 9.463 ( -5.264 0.911 -1.350) 5.511 9.545 ( -2.577 -1.191 -3.467) 4.481 9.710 ( -6.639 -1.395 -3.154) 7.481 9.910 ( -2.529 -1.066 11.281) 11.610 10.018 ( -5.225 -0.338 -3.599) 6.354 10.206 ( -8.155 -7.489 -2.774) 11.414 10.252 ( -0.605 0.722 1.925) 2.143 10.367 ( -2.754 -2.099 3.102) 4.648 12.386 ( -5.206 -1.586 0.100) 5.443 12.429 ( -3.780 -2.610 0.061) 4.594 12.660 ( -5.853 -2.987 1.282) 6.695 12.934 ( 6.419 0.295 -0.591) 6.453 12.978 ( 4.300 1.627 0.472) 4.622 12.998 ( 0.909 4.495 -4.353) 6.323 13.113 ( -0.834 -1.752 -4.260) 4.681 13.409 ( 4.469 1.699 -3.774) 6.091 13.451 ( 0.770 1.782 5.469) 5.803 13.627 ( 5.751 1.899 2.240) 6.457 15.075 ( -3.217 -0.184 4.515) 5.547 15.345 ( 4.263 0.638 -0.627) 4.356 15.444 ( 0.051 0.236 -0.253) 0.350 15.472 ( 0.920 -0.155 -0.848) 1.261 16.277 ( -2.200 -0.668 0.266) 2.314 16.302 ( -1.933 -1.254 -0.744) 2.421 20.014 ( -2.778 0.886 2.075) 3.579 20.039 ( -1.931 -0.175 -3.739) 4.212 20.248 ( -1.710 -0.647 3.395) 3.856 20.404 ( 3.519 -0.806 -7.084) 7.951 26.019 ( -0.024 0.076 0.091) 0.121 26.021 ( -0.008 -0.057 -0.092) 0.109 26.312 ( 1.681 1.244 2.207) 3.040 26.411 ( 3.237 -1.894 -1.596) 4.076 26.604 ( -3.207 4.251 0.321) 5.335 26.719 ( 0.945 0.443 -8.657) 8.720 27.970 ( -1.674 -1.500 -0.245) 2.261 28.033 ( -1.356 -4.654 -1.689) 5.133 28.077 ( -4.640 1.982 3.704) 6.259 28.165 ( -3.220 -0.070 -1.694) 3.639 28.235 ( -7.169 -1.693 2.629) 7.821 28.602 ( -0.309 -2.335 -19.131) 19.275 30.271 ( 0.658 -0.695 -4.751) 4.846 30.414 ( -1.837 -3.250 -3.309) 4.989 30.428 ( -2.230 -3.435 2.973) 5.061 30.600 ( -4.578 1.295 10.660) 11.674 30.662 ( 8.799 5.216 30.045) 31.739 31.817 ( 26.131 8.561 -5.738) 28.090 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -14.266 -13.248 15.258) 24.735 1.418 ( -16.061 -16.264 0.734) 22.870 2.025 ( -3.781 -4.858 -8.431) 10.440 2.078 ( -4.948 -1.161 -5.920) 7.803 2.263 ( -4.075 -3.061 7.258) 8.868 2.451 ( 5.368 0.992 2.151) 5.868 2.540 ( 9.583 7.357 1.477) 12.172 2.647 ( 4.674 4.371 3.887) 7.487 2.701 ( 6.441 6.439 -9.590) 13.225 2.774 ( 4.619 2.987 -0.636) 5.537 2.833 ( 3.368 2.958 4.266) 6.188 2.901 ( -0.911 4.118 -0.326) 4.231 2.946 ( -6.567 -6.592 3.622) 9.985 3.266 ( -0.347 2.122 -1.791) 2.798 3.335 ( 1.442 -1.505 -0.646) 2.182 3.464 ( -1.481 -1.120 -1.498) 2.386 3.503 ( -0.484 -1.765 2.280) 2.924 3.904 ( 1.317 2.993 -1.495) 3.596 3.944 ( 0.371 2.318 -5.086) 5.602 4.064 ( 0.671 0.183 1.131) 1.328 4.277 ( -2.109 1.532 -1.796) 3.165 4.380 ( -3.808 1.669 -2.628) 4.918 4.542 ( 1.379 -3.231 -1.141) 3.694 4.576 ( -1.949 -0.044 0.817) 2.114 4.677 ( -1.587 -0.707 -2.613) 3.138 4.814 ( 1.901 3.126 -6.491) 7.451 4.901 ( 0.297 -0.658 -1.443) 1.613 5.075 ( -2.968 -3.801 -3.849) 6.171 5.281 ( 1.135 1.782 -0.601) 2.196 5.349 ( -3.743 -2.732 -3.604) 5.870 5.398 ( 1.356 1.990 0.958) 2.592 5.487 ( 7.670 6.771 13.675) 17.079 5.523 ( -0.382 -1.223 -1.939) 2.324 5.734 ( -1.436 -1.064 3.466) 3.899 5.936 ( 8.308 6.107 2.558) 10.624 6.107 ( 2.084 -3.268 4.451) 5.902 7.553 ( 1.598 1.996 -1.566) 2.998 7.764 ( 3.864 7.459 -2.665) 8.814 7.822 ( 6.032 1.174 -1.773) 6.396 8.015 ( 3.871 3.038 0.064) 4.921 8.044 ( 4.087 1.942 4.446) 6.344 8.119 ( 4.640 1.502 -0.413) 4.894 9.070 ( -3.034 1.713 -3.532) 4.962 9.274 ( -0.529 -3.117 1.182) 3.375 9.404 ( -2.751 -0.588 -4.284) 5.125 9.547 ( -3.026 -2.192 0.867) 3.836 9.662 ( -6.232 -2.007 -2.583) 7.038 9.866 ( -4.324 1.469 5.829) 7.405 10.083 ( -0.299 -6.364 -0.137) 6.373 10.251 ( -3.297 -4.741 -2.833) 6.432 10.274 ( -3.881 -5.290 3.945) 7.656 10.366 ( -3.696 -1.348 -0.059) 3.935 12.348 ( -5.197 -0.785 -0.305) 5.265 12.426 ( -5.080 -1.803 0.893) 5.464 12.699 ( -3.913 -6.117 1.635) 7.443 12.895 ( 1.869 5.622 -2.430) 6.404 12.990 ( 3.638 1.647 0.387) 4.012 13.019 ( 4.850 -2.326 -2.594) 5.972 13.138 ( 0.098 -3.153 -2.757) 4.189 13.368 ( 1.290 3.674 -3.665) 5.347 13.446 ( 2.597 3.322 2.565) 4.935 13.656 ( 4.658 2.193 3.342) 6.138 15.072 ( -1.620 0.391 5.821) 6.055 15.353 ( 3.318 2.238 -1.593) 4.307 15.435 ( 0.149 0.717 -0.866) 1.134 15.487 ( 0.321 -1.102 -0.274) 1.180 16.272 ( -1.814 -1.059 0.182) 2.108 16.309 ( -1.729 -2.023 -0.607) 2.729 19.985 ( -1.359 0.292 1.280) 1.889 20.020 ( -1.864 -0.672 -1.607) 2.551 20.248 ( -2.692 -0.998 0.426) 2.903 20.419 ( 2.744 -0.227 -5.916) 6.525 26.018 ( -0.007 0.106 0.065) 0.125 26.022 ( 0.019 -0.120 -0.090) 0.151 26.319 ( 2.133 1.023 2.907) 3.748 26.457 ( 1.260 -0.694 -1.948) 2.422 26.514 ( -2.687 2.057 0.236) 3.392 26.688 ( 1.968 0.931 -8.576) 8.848 27.901 ( -4.381 3.723 -0.153) 5.752 28.010 ( -6.222 1.496 0.829) 6.453 28.051 ( -2.026 -2.057 -2.269) 3.672 28.213 ( -0.411 -4.939 2.441) 5.525 28.265 ( -3.139 -7.055 1.560) 7.878 28.588 ( -0.520 -4.473 -16.758) 17.353 30.295 ( 2.441 -1.950 -1.984) 3.701 30.436 ( -5.585 -1.636 -1.371) 5.979 30.455 ( -3.830 -3.922 -3.721) 6.625 30.563 ( -5.401 -5.593 5.350) 9.438 30.799 ( 15.387 12.945 36.675) 41.826 31.804 ( 21.052 17.407 -7.022) 28.205 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -22.558 -0.000 3.462) 22.822 1.138 ( -18.282 -0.000 14.410) 23.278 1.961 ( -6.477 -0.000 -11.132) 12.879 2.020 ( -8.469 -0.000 -7.720) 11.460 2.093 ( -25.340 -0.000 31.437) 40.378 2.538 ( 17.326 0.000 -3.075) 17.597 2.642 ( 10.505 0.000 -3.114) 10.956 2.766 ( 8.348 0.000 1.563) 8.493 2.779 ( 1.670 0.000 -1.183) 2.046 2.845 ( 7.010 0.000 1.207) 7.113 2.911 ( 8.204 0.000 0.511) 8.220 2.925 ( 5.676 0.000 -4.410) 7.188 2.968 ( 0.427 0.000 0.863) 0.963 3.252 ( 2.294 0.000 -3.818) 4.454 3.316 ( -1.780 -0.000 1.736) 2.486 3.419 ( -4.295 -0.000 -2.535) 4.988 3.498 ( -3.002 -0.000 1.138) 3.210 3.971 ( 2.867 0.000 -8.646) 9.109 3.988 ( 2.966 0.000 -0.838) 3.083 4.062 ( 1.616 0.000 1.776) 2.401 4.305 ( -1.889 -0.000 -6.393) 6.666 4.374 ( -0.760 -0.000 2.985) 3.080 4.468 ( -5.290 -0.000 -0.785) 5.348 4.624 ( -5.944 -0.000 -0.299) 5.952 4.639 ( -5.425 -0.000 -6.631) 8.567 4.824 ( -1.123 -0.000 4.564) 4.700 4.927 ( 1.348 0.000 -2.921) 3.217 4.995 ( -1.460 -0.000 -13.138) 13.219 5.251 ( -4.709 -0.000 -4.536) 6.538 5.340 ( 3.995 0.000 -3.535) 5.335 5.430 ( -1.367 -0.000 2.276) 2.655 5.476 ( -3.988 -0.000 -9.562) 10.360 5.534 ( 3.020 0.000 14.811) 15.116 5.807 ( 0.285 0.000 6.106) 6.113 6.026 ( 10.735 0.000 10.563) 15.060 6.148 ( 22.847 0.000 10.443) 25.120 7.619 ( 4.402 0.000 -3.603) 5.689 7.750 ( 8.739 0.000 -4.821) 9.981 7.963 ( 1.275 0.000 0.096) 1.279 8.093 ( 5.990 0.000 -2.300) 6.417 8.138 ( 5.933 0.000 1.771) 6.192 8.168 ( 3.680 0.000 1.905) 4.143 9.135 ( -1.950 -0.000 -1.393) 2.396 9.139 ( -2.053 -0.000 0.655) 2.155 9.411 ( -7.457 -0.000 -1.842) 7.681 9.449 ( -3.927 -0.000 -10.781) 11.474 9.661 ( -4.278 -0.000 4.682) 6.342 9.908 ( -1.386 -0.000 8.565) 8.676 9.980 ( -7.918 -0.000 1.374) 8.037 10.009 ( -9.994 -0.000 -2.534) 10.310 10.234 ( -3.291 -0.000 -0.849) 3.399 10.340 ( -3.453 -0.000 3.896) 5.206 12.331 ( -4.194 -0.000 0.418) 4.215 12.375 ( -3.018 -0.000 -0.567) 3.070 12.556 ( -9.628 -0.000 1.750) 9.785 12.950 ( -3.056 -0.000 -7.861) 8.434 13.034 ( 2.921 0.000 -2.217) 3.667 13.036 ( 4.127 0.000 0.540) 4.162 13.076 ( 1.034 0.000 -3.746) 3.886 13.445 ( 3.103 0.000 -7.083) 7.732 13.497 ( 1.233 0.000 7.039) 7.146 13.715 ( 6.354 0.000 2.817) 6.950 15.094 ( 1.864 0.000 8.350) 8.556 15.388 ( 3.327 0.000 0.040) 3.327 15.449 ( 0.821 0.000 -0.071) 0.824 15.473 ( 0.952 0.000 -2.415) 2.595 16.253 ( -1.656 -0.000 0.267) 1.677 16.266 ( -2.191 -0.000 -1.096) 2.450 19.998 ( -2.338 -0.000 -4.351) 4.939 20.002 ( -2.996 -0.000 1.921) 3.558 20.243 ( -1.775 -0.000 3.448) 3.878 20.371 ( -0.636 -0.000 -10.569) 10.588 26.019 ( -0.027 -0.000 -0.046) 0.053 26.020 ( -0.002 -0.000 0.048) 0.048 26.359 ( 2.963 0.000 1.436) 3.293 26.417 ( 3.125 0.000 -0.691) 3.201 26.640 ( -2.175 -0.000 1.244) 2.505 26.643 ( -3.409 -0.000 -12.921) 13.363 27.962 ( -0.753 -0.000 0.102) 0.760 27.963 ( 0.230 0.000 -1.125) 1.149 28.063 ( -5.438 -0.000 -0.157) 5.441 28.112 ( -6.859 -0.000 0.322) 6.867 28.149 ( -6.862 -0.000 1.152) 6.958 28.444 ( -9.038 -0.000 -17.852) 20.009 30.260 ( 1.406 0.000 -2.595) 2.951 30.366 ( -1.863 -0.000 -1.324) 2.285 30.382 ( -2.099 -0.000 0.688) 2.208 30.522 ( -9.590 -0.000 1.619) 9.725 31.118 ( 31.798 0.000 46.507) 56.339 32.130 ( 26.586 0.000 -5.760) 27.203 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -9.449 -13.225 17.413) 23.820 1.100 ( -14.514 -6.643 19.983) 25.576 1.885 ( -3.578 -2.813 -11.159) 12.052 1.930 ( -6.947 -2.732 -11.631) 13.820 2.083 ( -20.231 -10.556 32.841) 39.990 2.622 ( 14.149 6.290 -2.145) 15.632 2.705 ( 8.135 2.134 -3.386) 9.067 2.766 ( 3.955 2.644 -0.379) 4.773 2.850 ( 5.876 2.997 -1.477) 6.759 2.871 ( 2.821 1.942 2.824) 4.439 2.903 ( 7.654 5.754 -1.317) 9.665 2.932 ( 1.248 3.381 -1.387) 3.862 2.996 ( 5.808 3.417 0.294) 6.745 3.268 ( -0.334 -0.260 -2.227) 2.267 3.312 ( -1.577 -1.489 0.356) 2.198 3.386 ( -3.213 -2.818 -3.077) 5.266 3.478 ( -2.767 -1.464 1.103) 3.319 3.906 ( -3.470 0.456 -17.881) 18.221 3.978 ( 2.053 3.354 -0.924) 4.040 4.083 ( 0.956 0.495 1.450) 1.806 4.262 ( -1.114 0.186 -4.634) 4.770 4.384 ( -4.572 2.670 0.551) 5.323 4.448 ( -0.513 -6.647 -0.126) 6.668 4.556 ( -5.517 0.156 -2.138) 5.919 4.601 ( -4.354 -3.330 -1.552) 5.697 4.820 ( -2.148 0.822 -6.114) 6.533 4.872 ( -2.205 0.534 -3.097) 3.839 4.972 ( -2.660 -2.891 -5.117) 6.452 5.227 ( -3.451 -3.235 -4.013) 6.203 5.319 ( 1.061 2.585 -3.378) 4.384 5.419 ( -2.457 -0.142 -2.244) 3.331 5.480 ( 2.303 -3.410 2.547) 4.839 5.614 ( -0.864 -1.755 12.978) 13.125 5.815 ( 2.483 2.461 6.227) 7.141 6.152 ( 11.609 4.809 9.837) 15.958 6.326 ( 24.713 13.811 8.723) 29.624 7.594 ( 0.190 2.715 -2.676) 3.816 7.831 ( 7.045 -1.789 -8.128) 10.904 7.967 ( 6.587 5.017 2.995) 8.805 8.111 ( 5.159 3.334 -0.270) 6.148 8.158 ( 4.390 4.113 2.805) 6.638 8.192 ( 4.236 1.849 0.081) 4.623 9.073 ( -1.319 2.516 -1.940) 3.441 9.190 ( -2.315 -5.488 0.469) 5.975 9.333 ( -4.881 -1.278 -4.428) 6.713 9.401 ( -6.291 -3.256 -9.196) 11.608 9.642 ( -3.444 0.707 8.892) 9.562 9.856 ( -6.174 1.357 2.581) 6.828 9.975 ( -1.075 -5.569 3.531) 6.681 10.034 ( -7.717 -8.813 -0.201) 11.716 10.209 ( -4.039 -1.960 -1.141) 4.632 10.317 ( -4.104 -1.167 1.114) 4.409 12.287 ( -4.552 -0.256 -0.579) 4.596 12.364 ( -3.067 -1.302 1.022) 3.485 12.525 ( -8.818 -6.856 1.430) 11.261 12.869 ( -9.403 -4.882 -10.913) 15.210 13.047 ( 4.681 2.224 -0.859) 5.253 13.067 ( 3.914 1.492 0.538) 4.223 13.090 ( 1.696 -0.982 -1.941) 2.758 13.413 ( 1.101 2.252 -7.758) 8.153 13.530 ( 2.497 1.781 6.511) 7.198 13.758 ( 4.622 2.617 2.416) 5.835 15.144 ( 4.810 3.044 9.540) 11.109 15.407 ( 1.363 0.257 -0.791) 1.597 15.452 ( 1.757 1.549 0.017) 2.342 15.474 ( 0.993 -0.090 -2.144) 2.364 16.244 ( -1.141 -0.451 -0.008) 1.227 16.256 ( -1.717 -1.525 -0.768) 2.422 19.967 ( -0.935 -0.670 -3.569) 3.750 19.986 ( -2.740 -0.665 1.971) 3.441 20.214 ( -3.835 0.804 -0.165) 3.922 20.356 ( -2.202 -4.645 -8.651) 10.063 26.020 ( -0.010 -0.056 -0.015) 0.059 26.020 ( 0.010 0.053 0.007) 0.054 26.378 ( 3.407 1.275 1.312) 3.867 26.453 ( 1.262 -0.360 -0.604) 1.445 26.513 ( -4.276 2.332 -3.977) 6.288 26.655 ( -0.602 -1.835 -6.442) 6.725 27.909 ( -3.939 2.570 -1.465) 4.926 27.979 ( -4.359 0.341 1.097) 4.508 28.002 ( -2.403 -0.094 -0.572) 2.471 28.101 ( -5.364 -7.452 -1.235) 9.264 28.130 ( -2.208 -3.902 0.452) 4.506 28.367 ( -8.920 -8.058 -11.595) 16.701 30.281 ( 2.170 -1.484 -1.065) 2.837 30.352 ( -1.743 -1.374 -2.693) 3.490 30.384 ( -3.825 -1.546 0.969) 4.238 30.459 ( -5.770 -1.910 1.550) 6.272 31.474 ( 33.270 19.333 42.103) 57.038 32.246 ( 22.283 12.379 -6.042) 26.197 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.432 0.000 31.350) 31.382 1.027 ( -9.065 -0.000 26.129) 27.657 1.782 ( -1.930 -0.000 -15.106) 15.229 1.799 ( -4.904 -0.000 -13.628) 14.483 1.931 ( -18.574 -0.000 45.479) 49.126 2.763 ( 4.462 0.000 -2.911) 5.328 2.779 ( 3.304 0.000 -2.974) 4.445 2.840 ( 8.672 0.000 0.436) 8.683 2.887 ( 2.731 0.000 1.297) 3.023 2.987 ( 7.419 0.000 0.307) 7.426 2.987 ( 5.906 0.000 -1.324) 6.052 3.039 ( 8.481 0.000 -4.086) 9.414 3.109 ( 8.487 0.000 1.908) 8.699 3.255 ( -1.056 -0.000 -0.909) 1.393 3.259 ( -3.104 -0.000 -3.164) 4.432 3.305 ( -5.563 -0.000 -1.951) 5.895 3.414 ( -6.160 -0.000 -0.146) 6.162 3.754 ( -7.532 -0.000 -29.830) 30.766 4.036 ( 2.520 0.000 -0.836) 2.655 4.099 ( 0.775 0.000 1.339) 1.547 4.235 ( -0.414 -0.000 -4.975) 4.993 4.311 ( -7.328 -0.000 1.762) 7.536 4.402 ( -2.282 -0.000 1.300) 2.626 4.443 ( -8.870 -0.000 -4.669) 10.024 4.541 ( -3.503 -0.000 2.577) 4.349 4.756 ( -5.517 -0.000 -9.892) 11.326 4.860 ( -2.591 -0.000 2.774) 3.796 4.908 ( -1.015 -0.000 -2.125) 2.355 5.171 ( -0.434 -0.000 -2.932) 2.964 5.297 ( -2.422 -0.000 -8.973) 9.295 5.440 ( 2.178 0.000 4.008) 4.561 5.475 ( 2.310 0.000 6.272) 6.684 5.622 ( -3.303 -0.000 9.742) 10.286 5.830 ( -0.321 -0.000 1.145) 1.189 6.436 ( 16.374 0.000 19.987) 25.838 6.826 ( 37.190 0.000 1.247) 37.211 7.611 ( -1.324 -0.000 -2.525) 2.851 7.821 ( 4.228 0.000 -9.813) 10.685 8.083 ( 6.843 0.000 4.684) 8.293 8.197 ( 5.399 0.000 -0.782) 5.456 8.245 ( 3.724 0.000 0.513) 3.759 8.251 ( 2.872 0.000 1.093) 3.073 9.098 ( 0.029 0.000 -1.036) 1.036 9.109 ( -1.024 -0.000 0.569) 1.172 9.238 ( -7.214 -0.000 -2.542) 7.649 9.303 ( -2.743 -0.000 -9.216) 9.615 9.655 ( -3.386 -0.000 9.508) 10.093 9.820 ( -7.779 -0.000 -0.139) 7.780 9.864 ( -5.087 -0.000 2.589) 5.708 9.926 ( -2.350 -0.000 5.290) 5.788 10.143 ( -4.062 -0.000 -2.592) 4.819 10.246 ( -6.569 -0.000 -2.762) 7.126 12.252 ( -4.345 -0.000 0.057) 4.345 12.314 ( -2.952 -0.000 -1.000) 3.117 12.387 ( -7.327 -0.000 1.087) 7.407 12.575 ( -22.383 -0.000 -9.547) 24.334 13.081 ( 2.521 0.000 -0.374) 2.548 13.119 ( 3.957 0.000 -0.137) 3.959 13.132 ( 3.326 0.000 0.356) 3.345 13.398 ( -0.519 -0.000 -9.755) 9.769 13.603 ( 3.180 0.000 8.313) 8.900 13.827 ( 2.838 0.000 0.970) 2.999 15.285 ( 7.680 0.000 5.501) 9.447 15.393 ( -1.523 -0.000 -0.488) 1.599 15.487 ( 3.645 0.000 -1.055) 3.794 15.508 ( 3.581 0.000 0.977) 3.712 16.230 ( -0.390 -0.000 -0.471) 0.611 16.237 ( -0.263 -0.000 0.163) 0.310 19.934 ( -0.822 -0.000 -3.576) 3.670 19.951 ( -3.481 -0.000 0.052) 3.481 20.187 ( -8.632 -0.000 -5.872) 10.440 20.214 ( -3.183 -0.000 1.273) 3.428 26.019 ( 0.008 0.000 -0.018) 0.020 26.021 ( -0.010 -0.000 0.013) 0.017 26.416 ( 2.173 0.000 -0.768) 2.305 26.454 ( -5.383 -0.000 -4.710) 7.153 26.478 ( 2.120 0.000 0.000) 2.120 26.608 ( -1.546 -0.000 0.016) 1.546 27.907 ( -6.402 -0.000 -4.620) 7.894 27.933 ( -2.445 -0.000 -0.406) 2.479 27.959 ( -1.431 -0.000 0.244) 1.452 27.970 ( -6.781 -0.000 1.269) 6.899 28.071 ( -1.885 -0.000 -0.026) 1.885 28.168 ( -8.555 -0.000 -1.741) 8.730 30.284 ( 1.963 0.000 -0.309) 1.987 30.325 ( -1.257 -0.000 -0.838) 1.511 30.343 ( -2.069 -0.000 0.080) 2.070 30.396 ( -4.621 -0.000 0.361) 4.635 32.211 ( 42.402 0.000 24.724) 49.084 32.544 ( 18.934 0.000 -3.569) 19.267 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 1245.565 1806.505 1573.190 0.000 107.177 0.000 3/28800 20.0 206.250 237.942 308.880 0.000 33.672 0.000 3/28800 30.0 65.863 71.527 97.321 0.000 10.007 0.000 3/28800 40.0 32.221 33.975 46.655 0.000 4.578 0.000 3/28800 50.0 19.902 20.635 28.477 0.000 2.706 0.000 3/28800 60.0 14.066 14.432 20.004 0.000 1.858 0.000 3/28800 70.0 10.803 11.006 15.312 0.000 1.398 0.000 3/28800 80.0 8.759 8.881 12.391 0.000 1.117 0.000 3/28800 90.0 7.373 7.450 10.417 0.000 0.929 0.000 3/28800 100.0 6.376 6.426 8.999 0.000 0.796 0.000 3/28800 110.0 5.625 5.659 7.933 0.000 0.697 0.000 3/28800 120.0 5.041 5.063 7.102 0.000 0.621 0.000 3/28800 130.0 4.572 4.587 6.437 0.000 0.560 0.000 3/28800 140.0 4.188 4.197 5.892 0.000 0.510 0.000 3/28800 150.0 3.867 3.873 5.437 0.000 0.469 0.000 3/28800 160.0 3.595 3.598 5.052 0.000 0.434 0.000 3/28800 170.0 3.361 3.362 4.721 0.000 0.404 0.000 3/28800 180.0 3.158 3.157 4.433 0.000 0.378 0.000 3/28800 190.0 2.980 2.977 4.182 0.000 0.355 0.000 3/28800 200.0 2.822 2.818 3.960 0.000 0.335 0.000 3/28800 210.0 2.682 2.677 3.762 0.000 0.317 0.000 3/28800 220.0 2.556 2.550 3.585 0.000 0.301 0.000 3/28800 230.0 2.442 2.436 3.425 0.000 0.286 0.000 3/28800 240.0 2.339 2.333 3.281 0.000 0.273 0.000 3/28800 250.0 2.245 2.238 3.150 0.000 0.260 0.000 3/28800 260.0 2.160 2.152 3.030 0.000 0.249 0.000 3/28800 270.0 2.081 2.073 2.919 0.000 0.239 0.000 3/28800 280.0 2.008 2.000 2.818 0.000 0.229 0.000 3/28800 290.0 1.941 1.932 2.724 0.000 0.220 0.000 3/28800 300.0 1.878 1.870 2.637 0.000 0.212 0.000 3/28800 310.0 1.820 1.812 2.556 0.000 0.204 0.000 3/28800 320.0 1.766 1.757 2.481 0.000 0.197 0.000 3/28800 330.0 1.715 1.706 2.410 0.000 0.191 0.000 3/28800 340.0 1.668 1.658 2.344 0.000 0.184 0.000 3/28800 350.0 1.623 1.614 2.282 0.000 0.178 0.000 3/28800 360.0 1.580 1.571 2.223 0.000 0.173 0.000 3/28800 370.0 1.541 1.531 2.168 0.000 0.167 0.000 3/28800 380.0 1.503 1.493 2.115 0.000 0.162 0.000 3/28800 390.0 1.467 1.458 2.065 0.000 0.158 0.000 3/28800 400.0 1.433 1.424 2.018 0.000 0.153 0.000 3/28800 410.0 1.401 1.391 1.973 0.000 0.149 0.000 3/28800 420.0 1.370 1.360 1.930 0.000 0.145 0.000 3/28800 430.0 1.340 1.331 1.889 0.000 0.141 0.000 3/28800 440.0 1.312 1.303 1.850 0.000 0.138 0.000 3/28800 450.0 1.286 1.276 1.813 0.000 0.134 0.000 3/28800 460.0 1.260 1.250 1.777 0.000 0.131 0.000 3/28800 470.0 1.235 1.226 1.743 0.000 0.128 0.000 3/28800 480.0 1.212 1.202 1.710 0.000 0.125 0.000 3/28800 490.0 1.189 1.179 1.678 0.000 0.122 0.000 3/28800 500.0 1.167 1.157 1.648 0.000 0.119 0.000 3/28800 510.0 1.146 1.136 1.618 0.000 0.116 0.000 3/28800 520.0 1.126 1.116 1.590 0.000 0.114 0.000 3/28800 530.0 1.106 1.097 1.563 0.000 0.112 0.000 3/28800 540.0 1.087 1.078 1.536 0.000 0.109 0.000 3/28800 550.0 1.069 1.060 1.511 0.000 0.107 0.000 3/28800 560.0 1.051 1.042 1.486 0.000 0.105 0.000 3/28800 570.0 1.034 1.025 1.463 0.000 0.103 0.000 3/28800 580.0 1.018 1.009 1.440 0.000 0.101 0.000 3/28800 590.0 1.002 0.993 1.417 0.000 0.099 0.000 3/28800 600.0 0.987 0.978 1.396 0.000 0.097 0.000 3/28800 610.0 0.972 0.963 1.375 0.000 0.095 0.000 3/28800 620.0 0.957 0.948 1.354 0.000 0.094 0.000 3/28800 630.0 0.943 0.934 1.335 0.000 0.092 0.000 3/28800 640.0 0.929 0.921 1.316 0.000 0.090 0.000 3/28800 650.0 0.916 0.907 1.297 0.000 0.089 0.000 3/28800 660.0 0.903 0.894 1.279 0.000 0.087 0.000 3/28800 670.0 0.891 0.882 1.261 0.000 0.086 0.000 3/28800 680.0 0.878 0.870 1.244 0.000 0.084 0.000 3/28800 690.0 0.867 0.858 1.228 0.000 0.083 0.000 3/28800 700.0 0.855 0.847 1.211 0.000 0.082 0.000 3/28800 710.0 0.844 0.835 1.196 0.000 0.081 0.000 3/28800 720.0 0.833 0.825 1.180 0.000 0.079 0.000 3/28800 730.0 0.822 0.814 1.165 0.000 0.078 0.000 3/28800 740.0 0.812 0.804 1.151 0.000 0.077 0.000 3/28800 750.0 0.802 0.793 1.136 0.000 0.076 0.000 3/28800 760.0 0.792 0.784 1.122 0.000 0.075 0.000 3/28800 770.0 0.782 0.774 1.109 0.000 0.074 0.000 3/28800 780.0 0.773 0.765 1.096 0.000 0.073 0.000 3/28800 790.0 0.763 0.756 1.083 0.000 0.072 0.000 3/28800 800.0 0.754 0.747 1.070 0.000 0.071 0.000 3/28800 810.0 0.746 0.738 1.058 0.000 0.070 0.000 3/28800 820.0 0.737 0.729 1.046 0.000 0.069 0.000 3/28800 830.0 0.729 0.721 1.034 0.000 0.068 0.000 3/28800 840.0 0.721 0.713 1.022 0.000 0.067 0.000 3/28800 850.0 0.713 0.705 1.011 0.000 0.066 0.000 3/28800 860.0 0.705 0.697 1.000 0.000 0.065 0.000 3/28800 870.0 0.697 0.690 0.989 0.000 0.065 0.000 3/28800 880.0 0.690 0.682 0.979 0.000 0.064 0.000 3/28800 890.0 0.682 0.675 0.968 0.000 0.063 0.000 3/28800 900.0 0.675 0.668 0.958 0.000 0.062 0.000 3/28800 910.0 0.668 0.661 0.948 0.000 0.061 0.000 3/28800 920.0 0.661 0.654 0.938 0.000 0.061 0.000 3/28800 930.0 0.654 0.647 0.929 0.000 0.060 0.000 3/28800 940.0 0.648 0.641 0.919 0.000 0.059 0.000 3/28800 950.0 0.641 0.634 0.910 0.000 0.059 0.000 3/28800 960.0 0.635 0.628 0.901 0.000 0.058 0.000 3/28800 970.0 0.629 0.622 0.893 0.000 0.057 0.000 3/28800 980.0 0.622 0.616 0.884 0.000 0.057 0.000 3/28800 990.0 0.616 0.610 0.875 0.000 0.056 0.000 3/28800 1000.0 0.611 0.604 0.867 0.000 0.056 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:18:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|