----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:22:19]------------------------- 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 5.349715056731998 -3.206371640000001 0.000000000000000 b 5.349715056731998 3.206371640000001 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): *1 P 0.92694470224041 0.29662803773074 0.85788909943234 30.974 2 P 0.29662803773074 0.92694470224041 0.35788909943234 30.974 3 P 0.07305529775959 0.70337196226926 0.14211090056766 30.974 4 P 0.70337196226926 0.07305529775959 0.64211090056766 30.974 *5 S 0.62869896540620 0.37947443388775 0.59706002448153 32.065 6 S 0.62052556611225 0.37130103459380 0.90293997551847 32.065 *7 S 0.59416563069577 0.92865920948687 0.32351657059409 32.065 8 S 0.07134079051313 0.40583436930423 0.17648342940591 32.065 *9 S 0.00277080464299 0.99722919535701 0.25000000000000 32.065 10 S 0.37947443388775 0.62869896540620 0.09706002448153 32.065 11 S 0.37130103459380 0.62052556611225 0.40293997551847 32.065 12 S 0.99722919535701 0.00277080464299 0.75000000000000 32.065 *13 S 0.88341591904771 0.75860472944626 0.56095083475004 32.065 14 S 0.24139527055374 0.11658408095229 0.93904916524996 32.065 15 S 0.11658408095229 0.24139527055374 0.43904916524996 32.065 16 S 0.75860472944626 0.88341591904771 0.06095083475004 32.065 17 S 0.92865920948687 0.59416563069577 0.82351657059409 32.065 18 S 0.40583436930423 0.07134079051313 0.67648342940591 32.065 *19 Ag 0.75611812154618 0.17643706406917 0.44721204062433 107.868 20 Ag 0.82356293593083 0.24388187845382 0.05278795937567 107.868 21 Ag 0.24388187845382 0.82356293593083 0.55278795937567 107.868 22 Ag 0.17643706406917 0.75611812154618 0.94721204062433 107.868 *23 Ag 0.46125738823381 0.01942151048818 0.16341788009195 107.868 24 Ag 0.98057848951182 0.53874261176619 0.33658211990805 107.868 25 Ag 0.53874261176619 0.98057848951182 0.83658211990804 107.868 26 Ag 0.01942151048818 0.46125738823381 0.66341788009196 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.699430113463995 0.000000000000000 0.000000000000000 b 0.000000000000000 6.412743280000002 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): *1 P 0.61178636998557 0.68484166774517 0.85788909943234 30.974 > 1 2 P 0.11178636998557 0.81515833225483 0.35788909943234 30.974 > 2 3 P 0.88821363001443 0.81515833225483 0.14211090056766 30.974 > 3 4 P 0.38821363001443 0.68484166774517 0.64211090056766 30.974 > 4 5 P 0.11178636998557 0.18484166774517 0.85788909943234 30.974 > 1 6 P 0.61178636998557 0.31515833225483 0.35788909943234 30.974 > 2 7 P 0.38821363001443 0.31515833225483 0.14211090056766 30.974 > 3 8 P 0.88821363001443 0.18484166774517 0.64211090056766 30.974 > 4 *9 S 0.50408669964697 0.87538773424077 0.59706002448153 32.065 > 5 10 S 0.49591330035302 0.87538773424077 0.90293997551847 32.065 > 6 *11 S 0.26141242009132 0.66724678939555 0.32351657059409 32.065 > 7 12 S 0.73858757990868 0.66724678939555 0.17648342940591 32.065 > 8 *13 S 0.00000000000000 0.99722919535701 0.25000000000000 32.065 > 9 14 S 0.00408669964697 0.62461226575923 0.09706002448153 32.065 > 10 15 S 0.99591330035303 0.62461226575923 0.40293997551847 32.065 > 11 16 S 0.50000000000000 0.50277080464299 0.75000000000000 32.065 > 12 *17 S 0.32101032424698 0.43759440519928 0.56095083475004 32.065 > 13 18 S 0.17898967575302 0.93759440519928 0.93904916524996 32.065 > 14 19 S 0.17898967575302 0.06240559480072 0.43904916524996 32.065 > 15 20 S 0.32101032424698 0.56240559480072 0.06095083475004 32.065 > 16 21 S 0.76141242009132 0.83275321060445 0.82351657059409 32.065 > 17 22 S 0.23858757990868 0.83275321060445 0.67648342940591 32.065 > 18 23 S 0.00408669964697 0.37538773424077 0.59706002448153 32.065 > 5 24 S 0.99591330035303 0.37538773424077 0.90293997551847 32.065 > 6 25 S 0.76141242009132 0.16724678939555 0.32351657059409 32.065 > 7 26 S 0.23858757990868 0.16724678939555 0.17648342940591 32.065 > 8 27 S 0.50000000000000 0.49722919535701 0.25000000000000 32.065 > 9 28 S 0.50408669964697 0.12461226575923 0.09706002448153 32.065 > 10 29 S 0.49591330035302 0.12461226575923 0.40293997551847 32.065 > 11 30 S 0.00000000000000 0.00277080464299 0.75000000000000 32.065 > 12 31 S 0.82101032424698 0.93759440519928 0.56095083475004 32.065 > 13 32 S 0.67898967575302 0.43759440519928 0.93904916524996 32.065 > 14 33 S 0.67898967575302 0.56240559480072 0.43904916524996 32.065 > 15 34 S 0.82101032424698 0.06240559480072 0.06095083475004 32.065 > 16 35 S 0.26141242009132 0.33275321060445 0.82351657059409 32.065 > 17 36 S 0.73858757990868 0.33275321060445 0.67648342940591 32.065 > 18 *37 Ag 0.46627759280768 0.71015947126150 0.44721204062433 107.868 > 19 38 Ag 0.03372240719232 0.21015947126150 0.05278795937567 107.868 > 20 39 Ag 0.03372240719232 0.78984052873850 0.55278795937567 107.868 > 21 40 Ag 0.46627759280768 0.28984052873850 0.94721204062433 107.868 > 22 *41 Ag 0.24033944936100 0.77908206112718 0.16341788009195 107.868 > 23 42 Ag 0.25966055063900 0.27908206112718 0.33658211990805 107.868 > 24 43 Ag 0.25966055063900 0.72091793887282 0.83658211990804 107.868 > 25 44 Ag 0.24033944936100 0.22091793887282 0.66341788009196 107.868 > 26 45 Ag 0.96627759280768 0.21015947126150 0.44721204062433 107.868 > 19 46 Ag 0.53372240719232 0.71015947126150 0.05278795937567 107.868 > 20 47 Ag 0.53372240719232 0.28984052873850 0.55278795937567 107.868 > 21 48 Ag 0.96627759280768 0.78984052873850 0.94721204062433 107.868 > 22 49 Ag 0.74033944936100 0.27908206112718 0.16341788009195 107.868 > 23 50 Ag 0.75966055063900 0.77908206112718 0.33658211990805 107.868 > 24 51 Ag 0.75966055063900 0.22091793887282 0.83658211990804 107.868 > 25 52 Ag 0.74033944936100 0.72091793887282 0.66341788009196 107.868 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.699430113463995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825486560000003 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): *1 P 0.61178636998557 0.34242083387258 0.85788909943234 30.974 > 1 2 P 0.61178636998557 0.84242083387258 0.85788909943234 30.974 > 1 3 P 0.11178636998557 0.40757916612742 0.35788909943234 30.974 > 2 4 P 0.11178636998557 0.90757916612742 0.35788909943234 30.974 > 2 5 P 0.88821363001443 0.40757916612742 0.14211090056766 30.974 > 3 6 P 0.88821363001443 0.90757916612742 0.14211090056766 30.974 > 3 7 P 0.38821363001443 0.34242083387258 0.64211090056766 30.974 > 4 8 P 0.38821363001443 0.84242083387258 0.64211090056766 30.974 > 4 9 P 0.11178636998557 0.09242083387258 0.85788909943234 30.974 > 1 10 P 0.11178636998557 0.59242083387258 0.85788909943234 30.974 > 1 11 P 0.61178636998557 0.15757916612742 0.35788909943234 30.974 > 2 12 P 0.61178636998557 0.65757916612742 0.35788909943234 30.974 > 2 13 P 0.38821363001443 0.15757916612742 0.14211090056766 30.974 > 3 14 P 0.38821363001443 0.65757916612742 0.14211090056766 30.974 > 3 15 P 0.88821363001443 0.09242083387258 0.64211090056766 30.974 > 4 16 P 0.88821363001443 0.59242083387258 0.64211090056766 30.974 > 4 *17 S 0.50408669964697 0.43769386712039 0.59706002448153 32.065 > 5 18 S 0.50408669964697 0.93769386712039 0.59706002448153 32.065 > 5 19 S 0.49591330035302 0.43769386712039 0.90293997551847 32.065 > 6 20 S 0.49591330035302 0.93769386712039 0.90293997551847 32.065 > 6 *21 S 0.26141242009132 0.33362339469777 0.32351657059409 32.065 > 7 22 S 0.26141242009132 0.83362339469777 0.32351657059409 32.065 > 7 23 S 0.73858757990868 0.33362339469777 0.17648342940591 32.065 > 8 24 S 0.73858757990868 0.83362339469777 0.17648342940591 32.065 > 8 *25 S 0.00000000000000 0.49861459767850 0.25000000000000 32.065 > 9 26 S 0.00000000000000 0.99861459767850 0.25000000000000 32.065 > 9 27 S 0.00408669964697 0.31230613287961 0.09706002448153 32.065 > 10 28 S 0.00408669964697 0.81230613287961 0.09706002448153 32.065 > 10 29 S 0.99591330035303 0.31230613287961 0.40293997551847 32.065 > 11 30 S 0.99591330035303 0.81230613287961 0.40293997551847 32.065 > 11 31 S 0.50000000000000 0.25138540232150 0.75000000000000 32.065 > 12 32 S 0.50000000000000 0.75138540232150 0.75000000000000 32.065 > 12 *33 S 0.32101032424698 0.21879720259964 0.56095083475004 32.065 > 13 34 S 0.32101032424698 0.71879720259964 0.56095083475004 32.065 > 13 35 S 0.17898967575302 0.46879720259964 0.93904916524996 32.065 > 14 36 S 0.17898967575302 0.96879720259964 0.93904916524996 32.065 > 14 37 S 0.17898967575302 0.03120279740036 0.43904916524996 32.065 > 15 38 S 0.17898967575302 0.53120279740036 0.43904916524996 32.065 > 15 39 S 0.32101032424698 0.28120279740036 0.06095083475004 32.065 > 16 40 S 0.32101032424698 0.78120279740036 0.06095083475004 32.065 > 16 41 S 0.76141242009132 0.41637660530223 0.82351657059409 32.065 > 17 42 S 0.76141242009132 0.91637660530223 0.82351657059409 32.065 > 17 43 S 0.23858757990868 0.41637660530223 0.67648342940591 32.065 > 18 44 S 0.23858757990868 0.91637660530223 0.67648342940591 32.065 > 18 45 S 0.00408669964697 0.18769386712039 0.59706002448153 32.065 > 5 46 S 0.00408669964697 0.68769386712039 0.59706002448153 32.065 > 5 47 S 0.99591330035303 0.18769386712039 0.90293997551847 32.065 > 6 48 S 0.99591330035303 0.68769386712039 0.90293997551847 32.065 > 6 49 S 0.76141242009132 0.08362339469777 0.32351657059409 32.065 > 7 50 S 0.76141242009132 0.58362339469777 0.32351657059409 32.065 > 7 51 S 0.23858757990868 0.08362339469777 0.17648342940591 32.065 > 8 52 S 0.23858757990868 0.58362339469777 0.17648342940591 32.065 > 8 53 S 0.50000000000000 0.24861459767850 0.25000000000000 32.065 > 9 54 S 0.50000000000000 0.74861459767850 0.25000000000000 32.065 > 9 55 S 0.50408669964697 0.06230613287961 0.09706002448153 32.065 > 10 56 S 0.50408669964697 0.56230613287961 0.09706002448153 32.065 > 10 57 S 0.49591330035302 0.06230613287961 0.40293997551847 32.065 > 11 58 S 0.49591330035302 0.56230613287961 0.40293997551847 32.065 > 11 59 S 0.00000000000000 0.00138540232150 0.75000000000000 32.065 > 12 60 S 0.00000000000000 0.50138540232150 0.75000000000000 32.065 > 12 61 S 0.82101032424698 0.46879720259964 0.56095083475004 32.065 > 13 62 S 0.82101032424698 0.96879720259964 0.56095083475004 32.065 > 13 63 S 0.67898967575302 0.21879720259964 0.93904916524996 32.065 > 14 64 S 0.67898967575302 0.71879720259964 0.93904916524996 32.065 > 14 65 S 0.67898967575302 0.28120279740036 0.43904916524996 32.065 > 15 66 S 0.67898967575302 0.78120279740036 0.43904916524996 32.065 > 15 67 S 0.82101032424698 0.03120279740036 0.06095083475004 32.065 > 16 68 S 0.82101032424698 0.53120279740036 0.06095083475004 32.065 > 16 69 S 0.26141242009132 0.16637660530223 0.82351657059409 32.065 > 17 70 S 0.26141242009132 0.66637660530223 0.82351657059409 32.065 > 17 71 S 0.73858757990868 0.16637660530223 0.67648342940591 32.065 > 18 72 S 0.73858757990868 0.66637660530223 0.67648342940591 32.065 > 18 *73 Ag 0.46627759280768 0.35507973563075 0.44721204062433 107.868 > 19 74 Ag 0.46627759280768 0.85507973563075 0.44721204062433 107.868 > 19 75 Ag 0.03372240719232 0.10507973563075 0.05278795937567 107.868 > 20 76 Ag 0.03372240719232 0.60507973563075 0.05278795937567 107.868 > 20 77 Ag 0.03372240719232 0.39492026436925 0.55278795937567 107.868 > 21 78 Ag 0.03372240719232 0.89492026436925 0.55278795937567 107.868 > 21 79 Ag 0.46627759280768 0.14492026436925 0.94721204062433 107.868 > 22 80 Ag 0.46627759280768 0.64492026436925 0.94721204062433 107.868 > 22 *81 Ag 0.24033944936100 0.38954103056359 0.16341788009195 107.868 > 23 82 Ag 0.24033944936100 0.88954103056359 0.16341788009195 107.868 > 23 83 Ag 0.25966055063900 0.13954103056359 0.33658211990805 107.868 > 24 84 Ag 0.25966055063900 0.63954103056359 0.33658211990805 107.868 > 24 85 Ag 0.25966055063900 0.36045896943641 0.83658211990804 107.868 > 25 86 Ag 0.25966055063900 0.86045896943641 0.83658211990804 107.868 > 25 87 Ag 0.24033944936100 0.11045896943641 0.66341788009196 107.868 > 26 88 Ag 0.24033944936100 0.61045896943641 0.66341788009196 107.868 > 26 89 Ag 0.96627759280768 0.10507973563075 0.44721204062433 107.868 > 19 90 Ag 0.96627759280768 0.60507973563075 0.44721204062433 107.868 > 19 91 Ag 0.53372240719232 0.35507973563075 0.05278795937567 107.868 > 20 92 Ag 0.53372240719232 0.85507973563075 0.05278795937567 107.868 > 20 93 Ag 0.53372240719232 0.14492026436925 0.55278795937567 107.868 > 21 94 Ag 0.53372240719232 0.64492026436925 0.55278795937567 107.868 > 21 95 Ag 0.96627759280768 0.39492026436925 0.94721204062433 107.868 > 22 96 Ag 0.96627759280768 0.89492026436925 0.94721204062433 107.868 > 22 97 Ag 0.74033944936100 0.13954103056359 0.16341788009195 107.868 > 23 98 Ag 0.74033944936100 0.63954103056359 0.16341788009195 107.868 > 23 99 Ag 0.75966055063900 0.38954103056359 0.33658211990805 107.868 > 24 100 Ag 0.75966055063900 0.88954103056359 0.33658211990805 107.868 > 24 101 Ag 0.75966055063900 0.11045896943641 0.83658211990804 107.868 > 25 102 Ag 0.75966055063900 0.61045896943641 0.83658211990804 107.868 > 25 103 Ag 0.74033944936100 0.36045896943641 0.66341788009196 107.868 > 26 104 Ag 0.74033944936100 0.86045896943641 0.66341788009196 107.868 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0254081 0.0000000 -0.4700851 0.0000000 7.3729442 0.0000000 -0.4700844 0.0000000 7.7949614 -------------------------- Born effective charges -------------------------- 1 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 2 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 3 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 4 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 5 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 6 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 7 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 8 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 9 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 10 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 11 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 12 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 13 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 14 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 15 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 16 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 17 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 18 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 19 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 20 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 21 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 22 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 23 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 24 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 25 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 26 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 14730/14730 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 173 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 10), data: (672, 22) @ (22, 10) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 10), data: (672, 22) @ (22, 10) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 7), data: (680, 20) @ (20, 7) |-- (180, 173), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.779 Solver_block: 200 / 800 - Time: 0.695 Solver_block: 300 / 800 - Time: 0.694 Solver_block: 400 / 800 - Time: 0.693 Solver_block: 500 / 800 - Time: 0.697 Solver_block: 600 / 800 - Time: 0.697 Solver_block: 700 / 800 - Time: 0.702 Solver_block: 800 / 800 - Time: 0.698 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.780 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 14730/14730 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 173 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 162 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 10), data: (672, 22) @ (22, 10) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 10), data: (672, 22) @ (22, 10) |-- (172, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 7), data: (680, 20) @ (20, 7) |-- (180, 173), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:22:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:22:57]------------------------- 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 5.349715056731998 -3.206371640000001 0.000000000000000 b 5.349715056731998 3.206371640000001 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): 1 P 0.92694470224041 0.29662803773074 0.85788909943234 30.974 2 P 0.29662803773074 0.92694470224041 0.35788909943234 30.974 3 P 0.07305529775959 0.70337196226926 0.14211090056766 30.974 4 P 0.70337196226926 0.07305529775959 0.64211090056766 30.974 5 S 0.62869896540620 0.37947443388775 0.59706002448153 32.065 6 S 0.62052556611225 0.37130103459380 0.90293997551847 32.065 7 S 0.59416563069577 0.92865920948687 0.32351657059409 32.065 8 S 0.07134079051313 0.40583436930423 0.17648342940591 32.065 9 S 0.00277080464299 0.99722919535701 0.25000000000000 32.065 10 S 0.37947443388775 0.62869896540620 0.09706002448153 32.065 11 S 0.37130103459380 0.62052556611225 0.40293997551847 32.065 12 S 0.99722919535701 0.00277080464299 0.75000000000000 32.065 13 S 0.88341591904771 0.75860472944626 0.56095083475004 32.065 14 S 0.24139527055374 0.11658408095229 0.93904916524996 32.065 15 S 0.11658408095229 0.24139527055374 0.43904916524996 32.065 16 S 0.75860472944626 0.88341591904771 0.06095083475004 32.065 17 S 0.92865920948687 0.59416563069577 0.82351657059409 32.065 18 S 0.40583436930423 0.07134079051313 0.67648342940591 32.065 19 Ag 0.75611812154618 0.17643706406917 0.44721204062433 107.868 20 Ag 0.82356293593083 0.24388187845382 0.05278795937567 107.868 21 Ag 0.24388187845382 0.82356293593083 0.55278795937567 107.868 22 Ag 0.17643706406917 0.75611812154618 0.94721204062433 107.868 23 Ag 0.46125738823381 0.01942151048818 0.16341788009195 107.868 24 Ag 0.98057848951182 0.53874261176619 0.33658211990805 107.868 25 Ag 0.53874261176619 0.98057848951182 0.83658211990804 107.868 26 Ag 0.01942151048818 0.46125738823381 0.66341788009196 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.699430113463995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825486560000003 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): 1 P 0.61178636998557 0.34242083387258 0.85788909943234 30.974 > 1 2 P 0.61178636998557 0.84242083387258 0.85788909943234 30.974 > 1 3 P 0.11178636998557 0.40757916612742 0.35788909943234 30.974 > 3 4 P 0.11178636998557 0.90757916612742 0.35788909943234 30.974 > 3 5 P 0.88821363001443 0.40757916612742 0.14211090056766 30.974 > 5 6 P 0.88821363001443 0.90757916612742 0.14211090056766 30.974 > 5 7 P 0.38821363001443 0.34242083387258 0.64211090056766 30.974 > 7 8 P 0.38821363001443 0.84242083387258 0.64211090056766 30.974 > 7 9 P 0.11178636998557 0.09242083387258 0.85788909943234 30.974 > 1 10 P 0.11178636998557 0.59242083387258 0.85788909943234 30.974 > 1 11 P 0.61178636998557 0.15757916612742 0.35788909943234 30.974 > 3 12 P 0.61178636998557 0.65757916612742 0.35788909943234 30.974 > 3 13 P 0.38821363001443 0.15757916612742 0.14211090056766 30.974 > 5 14 P 0.38821363001443 0.65757916612742 0.14211090056766 30.974 > 5 15 P 0.88821363001443 0.09242083387258 0.64211090056766 30.974 > 7 16 P 0.88821363001443 0.59242083387258 0.64211090056766 30.974 > 7 17 S 0.50408669964697 0.43769386712039 0.59706002448153 32.065 > 17 18 S 0.50408669964697 0.93769386712039 0.59706002448153 32.065 > 17 19 S 0.49591330035302 0.43769386712039 0.90293997551847 32.065 > 19 20 S 0.49591330035302 0.93769386712039 0.90293997551847 32.065 > 19 21 S 0.26141242009132 0.33362339469777 0.32351657059409 32.065 > 21 22 S 0.26141242009132 0.83362339469777 0.32351657059409 32.065 > 21 23 S 0.73858757990868 0.33362339469777 0.17648342940591 32.065 > 23 24 S 0.73858757990868 0.83362339469777 0.17648342940591 32.065 > 23 25 S 0.00000000000000 0.49861459767850 0.25000000000000 32.065 > 25 26 S 0.00000000000000 0.99861459767850 0.25000000000000 32.065 > 25 27 S 0.00408669964697 0.31230613287961 0.09706002448153 32.065 > 27 28 S 0.00408669964697 0.81230613287961 0.09706002448153 32.065 > 27 29 S 0.99591330035303 0.31230613287961 0.40293997551847 32.065 > 29 30 S 0.99591330035303 0.81230613287961 0.40293997551847 32.065 > 29 31 S 0.50000000000000 0.25138540232150 0.75000000000000 32.065 > 31 32 S 0.50000000000000 0.75138540232150 0.75000000000000 32.065 > 31 33 S 0.32101032424698 0.21879720259964 0.56095083475004 32.065 > 33 34 S 0.32101032424698 0.71879720259964 0.56095083475004 32.065 > 33 35 S 0.17898967575302 0.46879720259964 0.93904916524996 32.065 > 35 36 S 0.17898967575302 0.96879720259964 0.93904916524996 32.065 > 35 37 S 0.17898967575302 0.03120279740036 0.43904916524996 32.065 > 37 38 S 0.17898967575302 0.53120279740036 0.43904916524996 32.065 > 37 39 S 0.32101032424698 0.28120279740036 0.06095083475004 32.065 > 39 40 S 0.32101032424698 0.78120279740036 0.06095083475004 32.065 > 39 41 S 0.76141242009132 0.41637660530223 0.82351657059409 32.065 > 41 42 S 0.76141242009132 0.91637660530223 0.82351657059409 32.065 > 41 43 S 0.23858757990868 0.41637660530223 0.67648342940591 32.065 > 43 44 S 0.23858757990868 0.91637660530223 0.67648342940591 32.065 > 43 45 S 0.00408669964697 0.18769386712039 0.59706002448153 32.065 > 17 46 S 0.00408669964697 0.68769386712039 0.59706002448153 32.065 > 17 47 S 0.99591330035303 0.18769386712039 0.90293997551847 32.065 > 19 48 S 0.99591330035303 0.68769386712039 0.90293997551847 32.065 > 19 49 S 0.76141242009132 0.08362339469777 0.32351657059409 32.065 > 21 50 S 0.76141242009132 0.58362339469777 0.32351657059409 32.065 > 21 51 S 0.23858757990868 0.08362339469777 0.17648342940591 32.065 > 23 52 S 0.23858757990868 0.58362339469777 0.17648342940591 32.065 > 23 53 S 0.50000000000000 0.24861459767850 0.25000000000000 32.065 > 25 54 S 0.50000000000000 0.74861459767850 0.25000000000000 32.065 > 25 55 S 0.50408669964697 0.06230613287961 0.09706002448153 32.065 > 27 56 S 0.50408669964697 0.56230613287961 0.09706002448153 32.065 > 27 57 S 0.49591330035302 0.06230613287961 0.40293997551847 32.065 > 29 58 S 0.49591330035302 0.56230613287961 0.40293997551847 32.065 > 29 59 S 0.00000000000000 0.00138540232150 0.75000000000000 32.065 > 31 60 S 0.00000000000000 0.50138540232150 0.75000000000000 32.065 > 31 61 S 0.82101032424698 0.46879720259964 0.56095083475004 32.065 > 33 62 S 0.82101032424698 0.96879720259964 0.56095083475004 32.065 > 33 63 S 0.67898967575302 0.21879720259964 0.93904916524996 32.065 > 35 64 S 0.67898967575302 0.71879720259964 0.93904916524996 32.065 > 35 65 S 0.67898967575302 0.28120279740036 0.43904916524996 32.065 > 37 66 S 0.67898967575302 0.78120279740036 0.43904916524996 32.065 > 37 67 S 0.82101032424698 0.03120279740036 0.06095083475004 32.065 > 39 68 S 0.82101032424698 0.53120279740036 0.06095083475004 32.065 > 39 69 S 0.26141242009132 0.16637660530223 0.82351657059409 32.065 > 41 70 S 0.26141242009132 0.66637660530223 0.82351657059409 32.065 > 41 71 S 0.73858757990868 0.16637660530223 0.67648342940591 32.065 > 43 72 S 0.73858757990868 0.66637660530223 0.67648342940591 32.065 > 43 73 Ag 0.46627759280768 0.35507973563075 0.44721204062433 107.868 > 73 74 Ag 0.46627759280768 0.85507973563075 0.44721204062433 107.868 > 73 75 Ag 0.03372240719232 0.10507973563075 0.05278795937567 107.868 > 75 76 Ag 0.03372240719232 0.60507973563075 0.05278795937567 107.868 > 75 77 Ag 0.03372240719232 0.39492026436925 0.55278795937567 107.868 > 77 78 Ag 0.03372240719232 0.89492026436925 0.55278795937567 107.868 > 77 79 Ag 0.46627759280768 0.14492026436925 0.94721204062433 107.868 > 79 80 Ag 0.46627759280768 0.64492026436925 0.94721204062433 107.868 > 79 81 Ag 0.24033944936100 0.38954103056359 0.16341788009195 107.868 > 81 82 Ag 0.24033944936100 0.88954103056359 0.16341788009195 107.868 > 81 83 Ag 0.25966055063900 0.13954103056359 0.33658211990805 107.868 > 83 84 Ag 0.25966055063900 0.63954103056359 0.33658211990805 107.868 > 83 85 Ag 0.25966055063900 0.36045896943641 0.83658211990804 107.868 > 85 86 Ag 0.25966055063900 0.86045896943641 0.83658211990804 107.868 > 85 87 Ag 0.24033944936100 0.11045896943641 0.66341788009196 107.868 > 87 88 Ag 0.24033944936100 0.61045896943641 0.66341788009196 107.868 > 87 89 Ag 0.96627759280768 0.10507973563075 0.44721204062433 107.868 > 73 90 Ag 0.96627759280768 0.60507973563075 0.44721204062433 107.868 > 73 91 Ag 0.53372240719232 0.35507973563075 0.05278795937567 107.868 > 75 92 Ag 0.53372240719232 0.85507973563075 0.05278795937567 107.868 > 75 93 Ag 0.53372240719232 0.14492026436925 0.55278795937567 107.868 > 77 94 Ag 0.53372240719232 0.64492026436925 0.55278795937567 107.868 > 77 95 Ag 0.96627759280768 0.39492026436925 0.94721204062433 107.868 > 79 96 Ag 0.96627759280768 0.89492026436925 0.94721204062433 107.868 > 79 97 Ag 0.74033944936100 0.13954103056359 0.16341788009195 107.868 > 81 98 Ag 0.74033944936100 0.63954103056359 0.16341788009195 107.868 > 81 99 Ag 0.75966055063900 0.38954103056359 0.33658211990805 107.868 > 83 100 Ag 0.75966055063900 0.88954103056359 0.33658211990805 107.868 > 83 101 Ag 0.75966055063900 0.11045896943641 0.83658211990804 107.868 > 85 102 Ag 0.75966055063900 0.61045896943641 0.83658211990804 107.868 > 85 103 Ag 0.74033944936100 0.36045896943641 0.66341788009196 107.868 > 87 104 Ag 0.74033944936100 0.86045896943641 0.66341788009196 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0254081 0.0000000 -0.4700851 0.0000000 7.3729442 0.0000000 -0.4700844 0.0000000 7.7949614 -------------------------- Born effective charges -------------------------- 1 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 2 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 3 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 4 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 5 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 6 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 7 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 8 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 9 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 10 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 11 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 12 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 13 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 14 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 15 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 16 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 17 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 18 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 19 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 20 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 21 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 22 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 23 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 24 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 25 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 26 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:23:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:23:25]------------------------- 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 5.349715056731998 -3.206371640000001 0.000000000000000 b 5.349715056731998 3.206371640000001 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): 1 P 0.92694470224041 0.29662803773074 0.85788909943234 30.974 2 P 0.29662803773074 0.92694470224041 0.35788909943234 30.974 3 P 0.07305529775959 0.70337196226926 0.14211090056766 30.974 4 P 0.70337196226926 0.07305529775959 0.64211090056766 30.974 5 S 0.62869896540620 0.37947443388775 0.59706002448153 32.065 6 S 0.62052556611225 0.37130103459380 0.90293997551847 32.065 7 S 0.59416563069577 0.92865920948687 0.32351657059409 32.065 8 S 0.07134079051313 0.40583436930423 0.17648342940591 32.065 9 S 0.00277080464299 0.99722919535701 0.25000000000000 32.065 10 S 0.37947443388775 0.62869896540620 0.09706002448153 32.065 11 S 0.37130103459380 0.62052556611225 0.40293997551847 32.065 12 S 0.99722919535701 0.00277080464299 0.75000000000000 32.065 13 S 0.88341591904771 0.75860472944626 0.56095083475004 32.065 14 S 0.24139527055374 0.11658408095229 0.93904916524996 32.065 15 S 0.11658408095229 0.24139527055374 0.43904916524996 32.065 16 S 0.75860472944626 0.88341591904771 0.06095083475004 32.065 17 S 0.92865920948687 0.59416563069577 0.82351657059409 32.065 18 S 0.40583436930423 0.07134079051313 0.67648342940591 32.065 19 Ag 0.75611812154618 0.17643706406917 0.44721204062433 107.868 20 Ag 0.82356293593083 0.24388187845382 0.05278795937567 107.868 21 Ag 0.24388187845382 0.82356293593083 0.55278795937567 107.868 22 Ag 0.17643706406917 0.75611812154618 0.94721204062433 107.868 23 Ag 0.46125738823381 0.01942151048818 0.16341788009195 107.868 24 Ag 0.98057848951182 0.53874261176619 0.33658211990805 107.868 25 Ag 0.53874261176619 0.98057848951182 0.83658211990804 107.868 26 Ag 0.01942151048818 0.46125738823381 0.66341788009196 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.699430113463995 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825486560000003 0.000000000000000 c -4.782799796092502 0.000000000000000 15.301900679106412 Atomic positions (fractional): 1 P 0.61178636998557 0.34242083387258 0.85788909943234 30.974 > 1 2 P 0.61178636998557 0.84242083387258 0.85788909943234 30.974 > 1 3 P 0.11178636998557 0.40757916612742 0.35788909943234 30.974 > 3 4 P 0.11178636998557 0.90757916612742 0.35788909943234 30.974 > 3 5 P 0.88821363001443 0.40757916612742 0.14211090056766 30.974 > 5 6 P 0.88821363001443 0.90757916612742 0.14211090056766 30.974 > 5 7 P 0.38821363001443 0.34242083387258 0.64211090056766 30.974 > 7 8 P 0.38821363001443 0.84242083387258 0.64211090056766 30.974 > 7 9 P 0.11178636998557 0.09242083387258 0.85788909943234 30.974 > 1 10 P 0.11178636998557 0.59242083387258 0.85788909943234 30.974 > 1 11 P 0.61178636998557 0.15757916612742 0.35788909943234 30.974 > 3 12 P 0.61178636998557 0.65757916612742 0.35788909943234 30.974 > 3 13 P 0.38821363001443 0.15757916612742 0.14211090056766 30.974 > 5 14 P 0.38821363001443 0.65757916612742 0.14211090056766 30.974 > 5 15 P 0.88821363001443 0.09242083387258 0.64211090056766 30.974 > 7 16 P 0.88821363001443 0.59242083387258 0.64211090056766 30.974 > 7 17 S 0.50408669964697 0.43769386712039 0.59706002448153 32.065 > 17 18 S 0.50408669964697 0.93769386712039 0.59706002448153 32.065 > 17 19 S 0.49591330035302 0.43769386712039 0.90293997551847 32.065 > 19 20 S 0.49591330035302 0.93769386712039 0.90293997551847 32.065 > 19 21 S 0.26141242009132 0.33362339469777 0.32351657059409 32.065 > 21 22 S 0.26141242009132 0.83362339469777 0.32351657059409 32.065 > 21 23 S 0.73858757990868 0.33362339469777 0.17648342940591 32.065 > 23 24 S 0.73858757990868 0.83362339469777 0.17648342940591 32.065 > 23 25 S 0.00000000000000 0.49861459767850 0.25000000000000 32.065 > 25 26 S 0.00000000000000 0.99861459767850 0.25000000000000 32.065 > 25 27 S 0.00408669964697 0.31230613287961 0.09706002448153 32.065 > 27 28 S 0.00408669964697 0.81230613287961 0.09706002448153 32.065 > 27 29 S 0.99591330035303 0.31230613287961 0.40293997551847 32.065 > 29 30 S 0.99591330035303 0.81230613287961 0.40293997551847 32.065 > 29 31 S 0.50000000000000 0.25138540232150 0.75000000000000 32.065 > 31 32 S 0.50000000000000 0.75138540232150 0.75000000000000 32.065 > 31 33 S 0.32101032424698 0.21879720259964 0.56095083475004 32.065 > 33 34 S 0.32101032424698 0.71879720259964 0.56095083475004 32.065 > 33 35 S 0.17898967575302 0.46879720259964 0.93904916524996 32.065 > 35 36 S 0.17898967575302 0.96879720259964 0.93904916524996 32.065 > 35 37 S 0.17898967575302 0.03120279740036 0.43904916524996 32.065 > 37 38 S 0.17898967575302 0.53120279740036 0.43904916524996 32.065 > 37 39 S 0.32101032424698 0.28120279740036 0.06095083475004 32.065 > 39 40 S 0.32101032424698 0.78120279740036 0.06095083475004 32.065 > 39 41 S 0.76141242009132 0.41637660530223 0.82351657059409 32.065 > 41 42 S 0.76141242009132 0.91637660530223 0.82351657059409 32.065 > 41 43 S 0.23858757990868 0.41637660530223 0.67648342940591 32.065 > 43 44 S 0.23858757990868 0.91637660530223 0.67648342940591 32.065 > 43 45 S 0.00408669964697 0.18769386712039 0.59706002448153 32.065 > 17 46 S 0.00408669964697 0.68769386712039 0.59706002448153 32.065 > 17 47 S 0.99591330035303 0.18769386712039 0.90293997551847 32.065 > 19 48 S 0.99591330035303 0.68769386712039 0.90293997551847 32.065 > 19 49 S 0.76141242009132 0.08362339469777 0.32351657059409 32.065 > 21 50 S 0.76141242009132 0.58362339469777 0.32351657059409 32.065 > 21 51 S 0.23858757990868 0.08362339469777 0.17648342940591 32.065 > 23 52 S 0.23858757990868 0.58362339469777 0.17648342940591 32.065 > 23 53 S 0.50000000000000 0.24861459767850 0.25000000000000 32.065 > 25 54 S 0.50000000000000 0.74861459767850 0.25000000000000 32.065 > 25 55 S 0.50408669964697 0.06230613287961 0.09706002448153 32.065 > 27 56 S 0.50408669964697 0.56230613287961 0.09706002448153 32.065 > 27 57 S 0.49591330035302 0.06230613287961 0.40293997551847 32.065 > 29 58 S 0.49591330035302 0.56230613287961 0.40293997551847 32.065 > 29 59 S 0.00000000000000 0.00138540232150 0.75000000000000 32.065 > 31 60 S 0.00000000000000 0.50138540232150 0.75000000000000 32.065 > 31 61 S 0.82101032424698 0.46879720259964 0.56095083475004 32.065 > 33 62 S 0.82101032424698 0.96879720259964 0.56095083475004 32.065 > 33 63 S 0.67898967575302 0.21879720259964 0.93904916524996 32.065 > 35 64 S 0.67898967575302 0.71879720259964 0.93904916524996 32.065 > 35 65 S 0.67898967575302 0.28120279740036 0.43904916524996 32.065 > 37 66 S 0.67898967575302 0.78120279740036 0.43904916524996 32.065 > 37 67 S 0.82101032424698 0.03120279740036 0.06095083475004 32.065 > 39 68 S 0.82101032424698 0.53120279740036 0.06095083475004 32.065 > 39 69 S 0.26141242009132 0.16637660530223 0.82351657059409 32.065 > 41 70 S 0.26141242009132 0.66637660530223 0.82351657059409 32.065 > 41 71 S 0.73858757990868 0.16637660530223 0.67648342940591 32.065 > 43 72 S 0.73858757990868 0.66637660530223 0.67648342940591 32.065 > 43 73 Ag 0.46627759280768 0.35507973563075 0.44721204062433 107.868 > 73 74 Ag 0.46627759280768 0.85507973563075 0.44721204062433 107.868 > 73 75 Ag 0.03372240719232 0.10507973563075 0.05278795937567 107.868 > 75 76 Ag 0.03372240719232 0.60507973563075 0.05278795937567 107.868 > 75 77 Ag 0.03372240719232 0.39492026436925 0.55278795937567 107.868 > 77 78 Ag 0.03372240719232 0.89492026436925 0.55278795937567 107.868 > 77 79 Ag 0.46627759280768 0.14492026436925 0.94721204062433 107.868 > 79 80 Ag 0.46627759280768 0.64492026436925 0.94721204062433 107.868 > 79 81 Ag 0.24033944936100 0.38954103056359 0.16341788009195 107.868 > 81 82 Ag 0.24033944936100 0.88954103056359 0.16341788009195 107.868 > 81 83 Ag 0.25966055063900 0.13954103056359 0.33658211990805 107.868 > 83 84 Ag 0.25966055063900 0.63954103056359 0.33658211990805 107.868 > 83 85 Ag 0.25966055063900 0.36045896943641 0.83658211990804 107.868 > 85 86 Ag 0.25966055063900 0.86045896943641 0.83658211990804 107.868 > 85 87 Ag 0.24033944936100 0.11045896943641 0.66341788009196 107.868 > 87 88 Ag 0.24033944936100 0.61045896943641 0.66341788009196 107.868 > 87 89 Ag 0.96627759280768 0.10507973563075 0.44721204062433 107.868 > 73 90 Ag 0.96627759280768 0.60507973563075 0.44721204062433 107.868 > 73 91 Ag 0.53372240719232 0.35507973563075 0.05278795937567 107.868 > 75 92 Ag 0.53372240719232 0.85507973563075 0.05278795937567 107.868 > 75 93 Ag 0.53372240719232 0.14492026436925 0.55278795937567 107.868 > 77 94 Ag 0.53372240719232 0.64492026436925 0.55278795937567 107.868 > 77 95 Ag 0.96627759280768 0.39492026436925 0.94721204062433 107.868 > 79 96 Ag 0.96627759280768 0.89492026436925 0.94721204062433 107.868 > 79 97 Ag 0.74033944936100 0.13954103056359 0.16341788009195 107.868 > 81 98 Ag 0.74033944936100 0.63954103056359 0.16341788009195 107.868 > 81 99 Ag 0.75966055063900 0.38954103056359 0.33658211990805 107.868 > 83 100 Ag 0.75966055063900 0.88954103056359 0.33658211990805 107.868 > 83 101 Ag 0.75966055063900 0.11045896943641 0.83658211990804 107.868 > 85 102 Ag 0.75966055063900 0.61045896943641 0.83658211990804 107.868 > 85 103 Ag 0.74033944936100 0.36045896943641 0.66341788009196 107.868 > 87 104 Ag 0.74033944936100 0.86045896943641 0.66341788009196 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0254081 0.0000000 -0.4700851 0.0000000 7.3729442 0.0000000 -0.4700844 0.0000000 7.7949614 -------------------------- Born effective charges -------------------------- 1 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 2 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 3 P 3.5496692 0.0027190 -0.8329591 -0.0674725 2.7779213 -0.6548967 -0.7131589 0.6307008 2.2445577 4 P 3.5496692 -0.0027190 -0.8329591 0.0674725 2.7779213 0.6548967 -0.7131589 -0.6307008 2.2445577 5 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 6 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 7 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 8 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 9 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 10 S -1.9998015 0.6186021 0.5617945 0.6749018 -1.0698160 -0.2095828 0.6995781 -0.4893556 -1.2832202 11 S -1.9998015 -0.6186021 0.5617945 -0.6749018 -1.0698160 0.2095828 0.6995781 0.4893556 -1.2832202 12 S -1.1827133 0.0000000 -0.1213166 0.0000000 -1.3299771 0.0000000 0.0242261 0.0000000 -1.1794465 13 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 14 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 15 S -1.1138890 -0.0826276 0.0939146 -0.1190155 -1.6960090 -0.6315878 0.0149376 -0.3978605 -1.5427008 16 S -1.1138890 0.0826276 0.0939146 0.1190155 -1.6960090 0.6315878 0.0149376 0.3978605 -1.5427008 17 S -1.9214487 -0.5958693 0.4959133 -0.4908097 -1.0956153 0.1151772 0.2179872 0.0301810 -0.9924207 18 S -1.9214487 0.5958693 0.4959133 0.4908097 -1.0956153 -0.1151772 0.2179872 -0.0301810 -0.9924207 19 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 20 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 21 Ag 1.0358699 -0.0396281 -0.0185685 0.1242482 0.9156440 -0.0937467 -0.2483179 0.0586950 1.1795125 22 Ag 1.0358699 0.0396281 -0.0185685 -0.1242482 0.9156440 0.0937467 -0.2483179 -0.0586950 1.1795125 23 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 24 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 25 Ag 1.0409567 0.2049517 -0.2394365 0.0339260 0.8328636 0.0371297 0.0168609 -0.0263201 0.9839947 26 Ag 1.0409567 -0.2049517 -0.2394365 -0.0339260 0.8328636 -0.0371297 0.0168609 0.0263201 0.9839947 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 3 ] 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: 0.51, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 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 0.766 ( 0.000 0.000 0.000) 0.000 0.808 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.907 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 16.285 ( 0.000 0.000 0.000) 0.000 16.380 ( 0.000 0.000 0.000) 0.000 16.483 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 0.646 -16.481 5.900) 17.517 0.372 ( 13.978 -10.640 7.883) 19.255 0.726 ( 11.874 -26.422 -2.221) 29.052 0.780 ( 1.998 -1.961 -0.836) 2.922 0.893 ( 2.009 -8.248 -2.822) 8.946 0.921 ( -0.389 -2.038 0.372) 2.108 0.983 ( 1.540 -4.979 -1.010) 5.308 1.110 ( -2.988 -3.044 3.746) 5.676 1.225 ( -4.536 -5.305 4.291) 8.193 1.288 ( 1.266 0.754 -1.741) 2.281 1.402 ( 6.571 -3.528 -3.449) 8.217 1.410 ( -0.380 -0.189 1.442) 1.503 1.517 ( -0.686 -2.131 1.684) 2.801 1.570 ( -0.856 -1.557 -3.121) 3.591 1.577 ( -0.682 -1.943 -0.835) 2.222 1.677 ( 1.878 -0.090 0.855) 2.066 1.738 ( 0.731 -0.295 0.958) 1.240 1.747 ( -0.932 -1.498 2.490) 3.051 1.839 ( 3.919 -0.957 -2.528) 4.760 1.936 ( 0.275 -4.519 0.432) 4.548 2.093 ( 2.511 -0.775 -2.410) 3.565 2.116 ( -0.471 0.254 2.757) 2.808 2.223 ( 0.404 0.083 -0.350) 0.541 2.353 ( -1.292 -0.722 -2.505) 2.909 3.425 ( 2.773 5.407 2.935) 6.748 3.454 ( -1.022 -0.951 0.789) 1.603 3.566 ( -3.011 -2.141 -5.749) 6.834 3.698 ( 4.821 -1.351 1.290) 5.170 3.763 ( 0.723 4.722 -4.852) 6.809 3.836 ( 3.996 1.158 3.518) 5.449 4.005 ( 4.852 -3.192 0.799) 5.863 4.144 ( 3.201 -3.833 -1.785) 5.303 4.299 ( 2.807 -3.136 2.433) 4.861 4.504 ( -0.008 -1.701 -1.752) 2.442 4.825 ( 1.073 1.099 -0.015) 1.536 4.965 ( 1.243 2.763 0.205) 3.036 5.182 ( -1.614 -1.409 -0.543) 2.211 5.305 ( -0.541 1.103 0.966) 1.563 5.680 ( -0.663 2.960 -1.161) 3.248 5.767 ( -2.728 2.082 -0.075) 3.433 5.798 ( -1.011 0.242 -0.091) 1.044 5.853 ( 2.308 -1.338 1.029) 2.859 5.874 ( -2.280 2.704 0.821) 3.631 5.945 ( 0.527 -3.950 -1.003) 4.110 5.975 ( 1.184 1.020 0.151) 1.570 6.033 ( 0.252 -2.453 -1.211) 2.747 6.326 ( 0.517 -0.205 0.866) 1.029 6.374 ( -0.212 -1.852 -0.525) 1.937 7.096 ( -2.686 0.560 3.351) 4.331 7.157 ( 1.010 0.663 1.277) 1.758 7.176 ( 2.839 0.209 0.118) 2.849 7.212 ( -1.084 0.425 -0.098) 1.169 7.306 ( 1.509 0.753 -1.372) 2.174 7.407 ( -0.520 -0.767 0.029) 0.927 7.760 ( -0.381 1.558 1.593) 2.260 7.823 ( -1.699 -0.254 -1.055) 2.016 8.263 ( -1.429 0.834 0.673) 1.786 8.269 ( -0.211 -0.363 1.070) 1.149 8.364 ( -1.417 1.027 -0.252) 1.768 8.420 ( 1.012 3.542 -1.177) 3.867 8.483 ( -0.530 1.008 -1.628) 1.987 8.503 ( 1.012 0.646 -0.323) 1.243 11.009 ( -0.574 0.560 -0.160) 0.818 11.082 ( 0.049 -0.001 0.040) 0.064 11.517 ( 0.015 0.097 -0.138) 0.170 11.596 ( 0.310 1.273 0.082) 1.313 12.880 ( 3.997 5.142 8.321) 10.567 13.021 ( 0.178 2.350 -1.539) 2.814 14.543 ( 0.864 0.762 0.621) 1.309 14.595 ( -0.496 -1.590 -0.676) 1.797 15.434 ( 12.170 2.105 -8.871) 15.207 15.505 ( -4.414 0.393 1.724) 4.755 15.619 ( 0.574 -0.857 0.746) 1.273 15.757 ( 7.082 0.894 -1.165) 7.233 16.253 ( 4.954 3.740 -0.869) 6.268 16.492 ( -0.589 -2.266 3.902) 4.551 16.538 ( 3.553 -8.469 -2.984) 9.657 17.094 ( -6.496 -10.205 -11.201) 16.486 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.650 -10.968 3.931) 11.670 0.691 ( 9.995 -8.650 5.943) 14.493 0.822 ( 0.019 -2.453 -0.729) 2.559 0.902 ( -2.004 -3.264 0.456) 3.857 0.977 ( -0.720 -3.993 -0.534) 4.092 1.012 ( -1.327 -3.617 -2.861) 4.799 1.200 ( 1.785 -4.879 2.095) 5.601 1.238 ( -1.064 -6.185 2.342) 6.699 1.319 ( -0.644 -2.682 -1.840) 3.316 1.331 ( 3.371 -9.048 0.624) 9.676 1.433 ( 5.569 -5.342 -2.158) 8.013 1.528 ( 0.153 -1.868 0.214) 1.887 1.541 ( -1.086 -1.866 0.597) 2.241 1.584 ( 1.979 -2.080 -1.881) 3.432 1.624 ( 3.003 -1.478 -0.214) 3.354 1.698 ( 0.164 0.478 0.346) 0.612 1.745 ( 0.497 -0.168 1.237) 1.344 1.788 ( 1.208 -3.401 2.666) 4.487 1.872 ( 3.203 0.672 -1.822) 3.746 2.042 ( -1.798 -5.343 0.318) 5.646 2.120 ( 1.367 -2.635 -2.339) 3.780 2.161 ( 2.168 -3.124 2.610) 4.612 2.249 ( 1.590 -2.693 -0.095) 3.129 2.345 ( -1.386 -1.717 -4.140) 4.691 3.393 ( 1.541 1.770 2.707) 3.583 3.443 ( -3.648 -0.428 4.764) 6.016 3.599 ( 0.849 -3.738 -2.104) 4.372 3.639 ( -1.090 6.294 -7.051) 9.514 3.780 ( 6.934 -0.838 -1.009) 7.057 3.899 ( 5.465 -1.617 1.987) 6.036 4.137 ( 5.987 -3.998 2.236) 7.538 4.234 ( 2.172 -2.319 -2.248) 3.893 4.394 ( 4.455 -2.742 4.834) 7.123 4.552 ( 1.009 -3.814 -4.435) 5.936 4.826 ( 2.435 0.779 0.251) 2.569 4.929 ( 2.286 3.091 -0.121) 3.846 5.184 ( -2.416 -1.541 -1.851) 3.412 5.288 ( -0.497 0.568 3.638) 3.716 5.634 ( -1.063 0.569 -2.264) 2.565 5.708 ( -2.361 1.682 -0.126) 2.901 5.762 ( -0.958 3.509 -0.505) 3.673 5.807 ( -0.122 -0.201 0.004) 0.236 5.909 ( 2.473 1.373 2.068) 3.503 5.985 ( 3.380 -1.013 -0.298) 3.541 6.028 ( -0.434 -4.469 1.959) 4.899 6.053 ( 0.607 -0.548 -3.145) 3.249 6.342 ( 0.495 -0.407 1.161) 1.326 6.394 ( -1.256 -1.131 -0.806) 1.873 7.080 ( -2.386 -0.552 3.953) 4.650 7.160 ( 0.924 0.825 0.759) 1.453 7.176 ( -0.902 0.892 -1.303) 1.819 7.203 ( 0.708 0.178 0.236) 0.767 7.309 ( 1.878 0.342 -1.161) 2.234 7.411 ( -1.046 -0.554 -0.413) 1.254 7.734 ( -0.518 0.910 0.967) 1.425 7.801 ( -1.645 0.123 -1.696) 2.366 8.212 ( -2.904 1.397 0.358) 3.242 8.289 ( 0.161 0.429 1.302) 1.381 8.318 ( -2.091 1.256 -0.109) 2.441 8.351 ( -0.765 4.336 0.734) 4.464 8.448 ( -0.598 1.320 -2.318) 2.734 8.484 ( -0.427 1.944 0.290) 2.011 10.991 ( -0.713 0.515 -0.042) 0.881 11.079 ( -0.012 0.448 -0.040) 0.450 11.515 ( -0.084 0.005 -0.407) 0.415 11.572 ( 0.478 1.987 0.342) 2.071 12.854 ( 1.574 3.282 3.246) 4.877 12.969 ( 0.411 2.987 -1.717) 3.470 14.545 ( 1.180 0.422 0.931) 1.561 14.613 ( 0.084 -0.932 -1.091) 1.437 15.484 ( -2.193 -1.583 2.076) 3.410 15.514 ( 7.243 -1.694 -4.670) 8.783 15.642 ( 0.681 -0.441 1.309) 1.541 15.798 ( 7.065 2.763 0.068) 7.586 16.273 ( 4.162 -0.580 -0.451) 4.226 16.539 ( 1.663 -2.007 0.857) 2.744 16.723 ( 0.139 -9.633 0.990) 9.685 17.186 ( -0.490 -6.950 -4.454) 8.269 ======================= Grid point 3 (4/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.567 -1.361 0.379) 2.110 0.864 ( -0.827 -2.112 0.172) 2.274 0.897 ( 2.272 -5.779 1.671) 6.431 0.959 ( -0.592 -3.848 2.257) 4.500 1.007 ( 2.378 -1.805 0.503) 3.027 1.118 ( -0.121 -8.233 -1.011) 8.296 1.257 ( 0.181 -1.785 0.031) 1.794 1.311 ( 0.130 -3.336 1.540) 3.677 1.360 ( -0.562 -3.688 -0.664) 3.789 1.434 ( -0.392 -1.686 0.052) 1.732 1.502 ( 0.292 2.777 0.443) 2.827 1.529 ( 1.977 -0.287 -2.658) 3.325 1.563 ( 0.661 -0.756 0.439) 1.096 1.642 ( 1.112 1.291 -0.655) 1.826 1.648 ( -0.055 1.741 -0.104) 1.745 1.673 ( 0.374 -2.749 0.177) 2.780 1.749 ( 0.119 1.335 1.429) 1.959 1.842 ( 0.522 1.489 -0.355) 1.617 1.947 ( 5.887 -3.338 2.030) 7.066 2.065 ( -4.336 -2.795 -2.055) 5.553 2.189 ( -0.329 -3.969 -1.731) 4.343 2.247 ( 2.026 -2.705 0.927) 3.505 2.347 ( 0.836 -6.278 -1.459) 6.499 2.387 ( 0.693 -4.399 -0.479) 4.479 3.396 ( 1.060 0.963 -1.233) 1.889 3.466 ( -0.889 -1.848 4.459) 4.908 3.502 ( -1.737 2.716 -0.937) 3.358 3.643 ( -1.154 -0.756 2.616) 2.957 3.876 ( 6.965 -0.620 -4.593) 8.366 4.012 ( 5.607 -5.239 0.807) 7.716 4.221 ( 1.558 0.174 -0.186) 1.578 4.280 ( 2.469 -1.317 1.182) 3.038 4.508 ( 4.418 -2.667 3.916) 6.478 4.604 ( 0.838 -2.660 -5.446) 6.118 4.849 ( 2.860 0.090 0.302) 2.877 4.917 ( 3.702 1.573 -0.681) 4.080 5.174 ( -2.518 -1.261 -2.343) 3.663 5.298 ( 0.305 0.101 4.136) 4.149 5.625 ( -2.071 -1.111 -0.253) 2.364 5.662 ( -1.059 0.417 -0.265) 1.168 5.706 ( -1.238 1.167 0.285) 1.725 5.831 ( 1.283 -0.554 -2.102) 2.524 5.899 ( 2.749 2.000 1.355) 3.660 6.037 ( 1.443 1.092 -1.666) 2.460 6.061 ( 4.488 -2.061 -0.732) 4.993 6.115 ( -0.011 -4.161 1.942) 4.592 6.348 ( -0.224 0.430 0.176) 0.516 6.374 ( -2.594 0.723 -0.058) 2.694 7.087 ( -0.589 -0.146 3.116) 3.175 7.130 ( -1.753 1.529 0.435) 2.367 7.168 ( -0.549 -0.839 -0.225) 1.028 7.206 ( -0.370 -0.479 0.045) 0.607 7.322 ( 1.798 0.295 -1.289) 2.232 7.401 ( -0.910 0.189 -0.929) 1.314 7.735 ( 0.629 -0.519 1.280) 1.518 7.780 ( -0.617 0.159 -1.964) 2.065 8.166 ( -1.865 1.066 0.268) 2.165 8.235 ( -2.156 2.759 -0.700) 3.571 8.261 ( -1.602 3.806 1.227) 4.308 8.309 ( -0.841 0.504 0.426) 1.069 8.408 ( -1.093 2.243 -1.878) 3.123 8.447 ( -0.283 0.964 1.092) 1.483 10.979 ( -0.559 0.105 0.191) 0.600 11.066 ( -0.087 0.846 -0.176) 0.869 11.512 ( -0.220 -0.101 -0.991) 1.020 11.545 ( 0.546 1.800 0.887) 2.079 12.825 ( 0.709 2.120 1.430) 2.653 12.922 ( 0.398 2.248 -1.095) 2.532 14.557 ( 0.995 0.033 0.925) 1.359 14.621 ( 0.059 -0.253 -1.002) 1.036 15.518 ( -0.199 -2.887 1.293) 3.170 15.601 ( 4.121 -2.291 -2.661) 5.414 15.651 ( 0.600 0.577 0.927) 1.246 15.811 ( 4.919 2.859 0.308) 5.698 16.339 ( 2.994 -2.206 -0.144) 3.722 16.597 ( 1.804 -2.136 0.224) 2.805 16.863 ( -0.606 -6.313 0.955) 6.414 17.278 ( 0.695 -4.376 -1.790) 4.778 ======================= Grid point 4 (5/70) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.967 0.200 -0.011) 0.988 0.869 ( -0.749 -0.260 -0.314) 0.853 0.966 ( -0.119 -1.333 0.125) 1.344 1.011 ( -0.180 -2.062 0.874) 2.247 1.077 ( 1.713 -1.483 0.439) 2.307 1.260 ( 1.246 -6.539 0.181) 6.659 1.293 ( 0.389 -2.041 0.972) 2.294 1.350 ( -1.265 -0.426 -2.496) 2.830 1.397 ( 1.129 4.148 1.051) 4.425 1.408 ( -1.948 -2.951 1.117) 3.707 1.468 ( -0.502 0.789 0.044) 0.936 1.514 ( -0.063 2.692 -1.673) 3.170 1.566 ( 0.663 0.511 0.365) 0.913 1.611 ( 1.682 -0.332 0.515) 1.790 1.648 ( -0.305 1.169 -0.951) 1.538 1.718 ( -0.157 -1.381 1.072) 1.756 1.725 ( 0.156 0.576 -0.451) 0.748 1.814 ( 0.354 1.518 -0.007) 1.558 2.022 ( 3.708 1.510 4.836) 6.278 2.055 ( -3.889 -2.856 -5.008) 6.954 2.227 ( -0.515 -1.528 -1.061) 1.930 2.300 ( 0.942 -1.135 0.363) 1.519 2.438 ( -0.184 -3.382 -1.787) 3.830 2.457 ( 0.633 -1.708 1.742) 2.520 3.337 ( -0.387 2.751 -3.104) 4.166 3.452 ( 0.344 -0.371 -0.455) 0.680 3.604 ( 0.187 -5.653 7.224) 9.175 3.636 ( -0.802 0.484 1.765) 1.998 3.866 ( 1.371 3.249 -5.441) 6.483 4.181 ( 4.016 -5.724 1.003) 7.064 4.220 ( 0.606 0.419 -0.306) 0.797 4.289 ( -0.243 2.162 1.027) 2.406 4.586 ( 3.151 -0.770 -1.063) 3.414 4.625 ( -1.240 -1.259 -0.366) 1.805 4.874 ( 1.321 -0.103 0.278) 1.354 4.935 ( 2.283 0.298 -0.690) 2.403 5.166 ( -1.296 -0.725 -0.985) 1.782 5.306 ( 0.267 0.437 1.595) 1.675 5.607 ( -0.806 0.362 -0.099) 0.889 5.676 ( -1.224 -1.052 1.720) 2.359 5.703 ( 0.288 -1.338 -0.566) 1.481 5.816 ( 0.458 1.555 -1.155) 1.991 5.912 ( 1.122 0.157 -0.220) 1.154 6.041 ( 1.407 -0.101 -0.708) 1.578 6.134 ( 3.408 -1.061 0.086) 3.571 6.179 ( 0.177 -2.280 1.345) 2.653 6.297 ( -2.794 1.978 -1.932) 3.931 6.356 ( -0.349 0.218 1.337) 1.399 7.083 ( -0.344 0.286 0.099) 0.458 7.094 ( -0.440 1.197 0.676) 1.443 7.185 ( -0.468 -1.161 0.147) 1.260 7.217 ( -0.482 -0.967 1.087) 1.532 7.321 ( 0.477 0.471 -1.273) 1.439 7.386 ( -0.174 0.385 -0.435) 0.606 7.760 ( 0.736 -0.362 0.801) 1.147 7.774 ( 0.040 -0.458 -0.958) 1.063 8.139 ( -0.505 0.461 -0.006) 0.684 8.164 ( -1.151 2.274 -1.060) 2.760 8.223 ( -0.270 0.138 2.256) 2.277 8.282 ( -1.295 0.908 -0.952) 1.846 8.351 ( -0.711 1.645 -0.647) 1.905 8.448 ( 0.179 -0.089 0.518) 0.555 10.976 ( -0.211 -0.101 0.160) 0.283 11.052 ( -0.055 0.507 -0.134) 0.527 11.508 ( -0.151 0.029 -0.706) 0.722 11.531 ( 0.277 0.632 0.649) 0.947 12.808 ( 0.213 0.743 0.419) 0.879 12.896 ( 0.152 0.824 -0.360) 0.912 14.567 ( 0.405 -0.065 0.423) 0.589 14.620 ( -0.013 0.012 -0.435) 0.435 15.576 ( 0.451 -2.953 0.209) 2.995 15.622 ( -0.148 1.788 0.681) 1.919 15.667 ( 1.405 -0.954 -1.179) 2.067 15.809 ( 1.778 1.309 0.295) 2.227 16.392 ( 1.131 -1.078 -0.025) 1.562 16.641 ( 0.794 -0.957 0.028) 1.244 16.934 ( -0.338 -2.140 0.328) 2.191 17.332 ( 0.339 -1.491 -0.474) 1.601 ======================= Grid point 10 (6/70) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 15.272 0.000 0.656) 15.286 0.416 ( 17.331 0.000 3.481) 17.677 0.706 ( 23.504 0.000 3.779) 23.805 0.779 ( 4.957 0.000 -1.044) 5.066 0.858 ( 0.800 0.000 -3.800) 3.883 0.910 ( 3.047 0.000 0.511) 3.090 0.932 ( 3.076 0.000 1.640) 3.486 1.103 ( -3.819 -0.000 5.686) 6.850 1.135 ( 2.075 0.000 0.517) 2.138 1.303 ( 0.596 0.000 -0.897) 1.077 1.408 ( -1.211 -0.000 0.790) 1.446 1.422 ( 3.559 0.000 -1.362) 3.811 1.492 ( -1.533 -0.000 0.953) 1.805 1.512 ( 4.074 0.000 -3.242) 5.206 1.600 ( 4.695 0.000 -0.482) 4.719 1.701 ( 1.716 0.000 3.034) 3.486 1.732 ( 0.702 0.000 2.189) 2.299 1.749 ( 0.127 0.000 -1.222) 1.229 1.867 ( 4.670 0.000 -2.588) 5.339 1.912 ( 1.904 0.000 1.953) 2.728 2.109 ( 2.079 0.000 -4.608) 5.055 2.130 ( 0.768 0.000 4.657) 4.720 2.228 ( 0.697 0.000 -0.711) 0.996 2.325 ( -0.996 -0.000 -3.805) 3.933 3.424 ( -2.098 -0.000 0.784) 2.240 3.487 ( -2.451 -0.000 -3.149) 3.990 3.589 ( 1.163 0.000 -2.143) 2.438 3.677 ( 2.538 0.000 2.261) 3.398 3.854 ( 4.764 0.000 -4.068) 6.264 3.885 ( 5.331 0.000 0.843) 5.398 4.054 ( 9.483 0.000 0.467) 9.494 4.146 ( 5.246 0.000 -1.888) 5.576 4.328 ( 5.871 0.000 4.120) 7.172 4.480 ( -0.452 -0.000 -2.901) 2.936 4.845 ( 1.505 0.000 -0.509) 1.589 5.006 ( 0.892 0.000 0.471) 1.009 5.145 ( -2.432 -0.000 -0.090) 2.434 5.309 ( -1.030 -0.000 0.703) 1.247 5.710 ( -2.098 -0.000 -3.535) 4.111 5.742 ( -1.063 -0.000 2.415) 2.639 5.783 ( -2.988 -0.000 3.336) 4.479 5.851 ( -1.781 -0.000 -0.475) 1.843 5.881 ( 3.669 0.000 3.737) 5.237 5.919 ( -0.490 -0.000 -6.930) 6.947 5.997 ( 2.670 0.000 -0.048) 2.670 6.011 ( 0.294 0.000 0.369) 0.472 6.345 ( 1.379 0.000 1.631) 2.136 6.351 ( 0.100 0.000 -1.043) 1.048 7.075 ( -4.664 -0.000 4.554) 6.519 7.164 ( 3.000 0.000 -0.898) 3.132 7.192 ( -2.618 -0.000 -0.675) 2.703 7.249 ( 2.880 0.000 1.121) 3.091 7.329 ( 1.815 0.000 -1.803) 2.558 7.390 ( -1.230 -0.000 0.569) 1.355 7.778 ( -1.707 -0.000 2.816) 3.292 7.783 ( -3.497 -0.000 -1.728) 3.901 8.237 ( -4.458 -0.000 -0.168) 4.461 8.280 ( 1.146 0.000 3.046) 3.254 8.353 ( -1.971 -0.000 -1.247) 2.332 8.476 ( -1.092 -0.000 -2.802) 3.008 8.478 ( 0.210 0.000 -4.445) 4.450 8.485 ( -2.176 -0.000 2.613) 3.400 11.004 ( -0.991 -0.000 -0.327) 1.043 11.083 ( 0.103 0.000 0.156) 0.187 11.518 ( -0.139 -0.000 -0.054) 0.149 11.612 ( 0.359 0.000 0.004) 0.359 13.006 ( -5.071 -0.000 12.802) 13.770 13.036 ( 0.182 0.000 -3.003) 3.008 14.570 ( 1.656 0.000 1.490) 2.228 14.576 ( 1.180 0.000 -1.182) 1.670 15.464 ( -3.736 -0.000 2.750) 4.639 15.624 ( 1.182 0.000 1.713) 2.081 15.644 ( 8.868 0.000 -22.033) 23.751 15.759 ( 5.839 0.000 3.194) 6.655 16.363 ( 6.023 0.000 2.476) 6.512 16.520 ( 3.647 0.000 -0.773) 3.728 16.683 ( 4.940 0.000 0.719) 4.992 16.684 ( 7.194 0.000 -18.910) 20.232 ======================= Grid point 11 (7/70) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 11.872 -5.133 3.441) 13.384 0.677 ( 8.948 -6.609 1.329) 11.203 0.797 ( 0.419 -3.223 -1.736) 3.685 0.852 ( 0.206 -1.586 -3.000) 3.399 0.909 ( 5.300 0.710 5.892) 7.957 0.986 ( 1.027 -3.214 0.049) 3.374 1.112 ( 2.622 -5.363 0.245) 5.974 1.159 ( 10.433 -8.605 1.118) 13.570 1.210 ( 0.655 -4.209 3.153) 5.300 1.307 ( 2.090 -0.487 -3.404) 4.025 1.416 ( 2.332 -1.739 0.589) 2.968 1.474 ( 0.437 -3.233 -0.041) 3.263 1.502 ( 0.936 -1.621 0.075) 1.873 1.577 ( 3.478 -2.128 -0.306) 4.089 1.655 ( 3.980 -0.834 0.201) 4.072 1.713 ( 1.175 1.464 -0.300) 1.901 1.752 ( 1.539 -0.239 2.357) 2.825 1.762 ( 0.856 -1.147 -0.014) 1.431 1.904 ( 3.285 -0.058 -1.772) 3.733 1.986 ( 4.005 -2.935 1.639) 5.229 2.105 ( 0.712 0.005 -2.228) 2.339 2.164 ( 2.357 -0.712 2.944) 3.838 2.238 ( 1.289 -0.437 0.009) 1.361 2.303 ( -0.669 -0.444 -5.104) 5.167 3.404 ( -1.964 -0.121 3.394) 3.923 3.463 ( -0.850 1.353 -2.520) 2.984 3.572 ( 4.004 0.002 2.035) 4.492 3.696 ( -0.800 3.009 -4.960) 5.857 3.851 ( 7.657 1.332 -3.379) 8.475 3.969 ( 6.261 0.303 2.200) 6.643 4.171 ( 8.601 -1.625 1.243) 8.841 4.237 ( 6.665 -2.367 -0.442) 7.086 4.430 ( 7.233 -1.307 4.970) 8.872 4.488 ( 0.831 -2.530 -4.982) 5.649 4.862 ( 2.708 0.233 -0.492) 2.762 4.999 ( 1.730 2.154 0.423) 2.795 5.129 ( -2.519 -0.964 -0.349) 2.719 5.293 ( -1.689 0.300 2.430) 2.974 5.640 ( -2.087 2.302 -3.678) 4.815 5.713 ( -2.725 1.457 3.000) 4.306 5.792 ( -0.298 -1.336 2.001) 2.424 5.811 ( -2.084 3.182 -0.402) 3.825 5.915 ( 1.384 -2.831 -4.368) 5.386 5.969 ( 3.136 -3.076 3.521) 5.630 6.002 ( 0.336 0.332 -0.479) 0.673 6.037 ( 1.596 -1.293 -2.130) 2.958 6.353 ( 0.839 -0.180 -0.164) 0.874 6.368 ( 0.336 -0.370 1.000) 1.118 7.051 ( -3.315 -0.680 4.329) 5.495 7.152 ( -3.945 0.073 -0.282) 3.956 7.196 ( 3.123 0.672 -1.515) 3.535 7.243 ( 1.077 2.192 -0.746) 2.554 7.341 ( 2.650 0.901 -0.879) 2.934 7.388 ( -0.773 -0.806 0.485) 1.218 7.735 ( -2.591 0.379 -0.049) 2.619 7.772 ( -1.739 -0.453 0.075) 1.798 8.184 ( -4.934 0.137 0.450) 4.957 8.300 ( 0.125 0.048 2.660) 2.663 8.313 ( -2.711 1.098 -1.376) 3.232 8.408 ( -2.136 3.438 1.026) 4.176 8.449 ( -0.650 0.755 -3.811) 3.939 8.489 ( -2.363 -0.196 0.737) 2.483 10.989 ( -1.076 0.307 -0.207) 1.138 11.084 ( -0.002 0.126 0.082) 0.151 11.515 ( -0.153 0.145 -0.056) 0.218 11.604 ( 0.218 1.122 0.027) 1.143 12.949 ( -1.021 4.242 5.642) 7.132 13.010 ( 0.202 1.908 -2.823) 3.414 14.577 ( 1.499 0.898 0.729) 1.893 14.601 ( 1.420 -0.683 -0.680) 1.716 15.454 ( -1.169 -0.823 2.706) 3.061 15.606 ( 8.904 3.797 -8.725) 13.031 15.650 ( 1.730 -0.425 1.503) 2.331 15.869 ( 3.473 -2.151 0.996) 4.205 16.397 ( 7.971 6.383 -0.464) 10.222 16.544 ( 3.426 0.112 2.493) 4.238 16.620 ( 5.592 -3.979 -2.350) 7.254 16.986 ( 0.771 -13.408 -5.078) 14.358 ======================= Grid point 12 (8/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 6.069 -2.144 1.684) 6.653 0.801 ( 1.809 -3.277 0.577) 3.788 0.856 ( 0.912 -4.227 0.053) 4.324 0.902 ( 1.363 -3.210 -0.810) 3.580 1.015 ( 2.889 -0.238 -1.483) 3.256 1.030 ( 6.663 -4.308 4.027) 8.898 1.229 ( 0.215 -4.754 0.668) 4.806 1.244 ( 0.550 -1.420 -1.023) 1.834 1.312 ( 0.828 -3.583 0.031) 3.678 1.384 ( 0.612 -3.431 1.016) 3.630 1.490 ( 0.317 -3.375 -1.440) 3.683 1.544 ( 3.219 -0.880 -2.140) 3.964 1.551 ( 2.572 -2.163 1.516) 3.687 1.643 ( 1.642 -1.446 1.097) 2.448 1.679 ( -1.268 1.063 -0.440) 1.712 1.706 ( 4.369 1.837 -0.055) 4.740 1.768 ( 0.559 0.507 1.915) 2.058 1.820 ( -0.040 -4.274 0.339) 4.288 1.921 ( 1.570 -0.196 -3.784) 4.102 2.038 ( 1.383 0.224 3.216) 3.508 2.138 ( 1.430 -2.253 -1.674) 3.150 2.228 ( 2.700 -2.526 1.568) 4.016 2.265 ( 0.357 -2.443 -1.779) 3.043 2.334 ( 2.863 -3.492 -1.300) 4.699 3.407 ( -0.348 0.080 -2.108) 2.138 3.452 ( 1.554 -1.197 6.562) 6.849 3.566 ( -0.864 6.437 -8.070) 10.359 3.639 ( 1.424 -0.677 4.626) 4.887 3.933 ( 8.220 -0.818 -3.459) 8.956 4.027 ( 5.630 -0.359 1.474) 5.831 4.263 ( 4.938 0.281 1.487) 5.164 4.331 ( 7.229 0.209 1.161) 7.325 4.531 ( 3.064 -1.762 -1.756) 3.947 4.542 ( 3.477 -2.850 -0.161) 4.499 4.889 ( 3.423 0.536 -0.047) 3.465 4.980 ( 2.175 2.233 -0.456) 3.151 5.115 ( -2.603 -0.944 -2.011) 3.422 5.298 ( -1.084 -1.290 4.327) 4.644 5.592 ( -0.782 -0.048 -2.672) 2.784 5.673 ( -1.511 1.286 2.203) 2.965 5.735 ( -0.901 3.037 0.210) 3.175 5.831 ( 2.030 -1.282 -0.370) 2.429 5.938 ( -0.036 0.325 -1.737) 1.767 6.024 ( 0.647 -2.194 -4.523) 5.069 6.044 ( 0.212 -2.778 3.230) 4.266 6.093 ( 4.832 -2.076 1.297) 5.417 6.349 ( -1.221 0.541 -1.342) 1.893 6.374 ( 0.448 0.656 1.961) 2.115 7.063 ( -1.748 -1.983 3.916) 4.725 7.110 ( -4.166 -0.432 0.409) 4.208 7.171 ( -1.070 2.281 -1.510) 2.937 7.228 ( 2.659 1.392 -1.613) 3.407 7.342 ( 0.656 0.566 -1.419) 1.662 7.401 ( 1.261 0.114 0.586) 1.395 7.723 ( -1.107 -1.089 0.828) 1.760 7.763 ( -0.927 -0.277 -0.886) 1.312 8.144 ( -3.591 -0.498 1.032) 3.769 8.245 ( -3.170 2.102 -1.622) 4.135 8.289 ( -2.404 1.491 0.984) 2.995 8.330 ( -2.070 2.893 1.181) 3.748 8.417 ( -0.763 1.137 -3.076) 3.367 8.459 ( -1.749 0.750 1.766) 2.596 10.974 ( -0.922 0.118 0.145) 0.941 11.077 ( -0.179 0.559 -0.117) 0.598 11.509 ( -0.232 0.249 -0.495) 0.601 11.582 ( 0.146 1.598 0.391) 1.651 12.890 ( 0.193 3.591 2.457) 4.356 12.964 ( 0.142 2.519 -1.842) 3.124 14.579 ( 1.247 0.751 0.790) 1.656 14.618 ( 0.943 -0.134 -0.863) 1.285 15.485 ( 0.762 -1.963 1.873) 2.818 15.632 ( 6.497 0.682 -4.673) 8.032 15.674 ( 1.549 0.380 1.436) 2.146 15.907 ( 2.977 1.772 0.826) 3.562 16.382 ( 5.953 2.868 -0.440) 6.622 16.595 ( 3.048 -1.006 0.904) 3.334 16.768 ( 3.736 -6.297 0.152) 7.323 17.164 ( 0.041 -8.357 -1.904) 8.571 ======================= Grid point 13 (9/70) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 3.773 2.101 0.777) 4.388 0.860 ( 1.682 -1.013 0.798) 2.120 0.947 ( 2.961 -2.496 -0.656) 3.928 0.977 ( 1.311 -3.231 1.051) 3.642 1.069 ( 3.441 -2.065 -1.552) 4.302 1.180 ( 4.719 -4.776 0.238) 6.718 1.251 ( 0.040 -2.360 -1.637) 2.872 1.320 ( -0.296 -3.408 3.693) 5.034 1.357 ( 0.453 -0.604 -2.801) 2.901 1.426 ( -0.107 -2.263 1.568) 2.755 1.501 ( -0.362 2.141 1.110) 2.439 1.559 ( 1.866 1.551 -2.174) 3.258 1.589 ( 0.794 0.975 0.238) 1.280 1.637 ( 0.760 1.370 0.234) 1.584 1.679 ( 0.477 -1.491 0.011) 1.566 1.698 ( 1.879 2.518 -0.230) 3.150 1.755 ( -0.577 1.920 1.238) 2.356 1.846 ( -0.019 1.208 1.407) 1.855 1.924 ( -4.131 -3.464 -6.191) 8.209 2.081 ( 2.588 -0.942 4.994) 5.703 2.178 ( 0.557 -2.268 -1.788) 2.941 2.296 ( 1.934 -2.107 0.752) 2.957 2.349 ( 1.425 -5.391 -2.410) 6.074 2.425 ( 1.507 -3.310 1.546) 3.952 3.382 ( 0.803 2.627 -6.291) 6.865 3.448 ( 0.133 1.960 -4.385) 4.805 3.562 ( 3.310 -4.306 9.880) 11.274 3.649 ( -0.865 0.856 4.281) 4.450 3.947 ( 3.691 4.405 -5.476) 7.938 4.141 ( 4.674 -4.023 1.378) 6.319 4.285 ( 4.464 2.979 1.688) 5.626 4.362 ( 3.708 3.522 0.456) 5.134 4.567 ( -0.466 -1.914 -2.457) 3.149 4.620 ( 3.587 -1.170 1.853) 4.203 4.901 ( 1.454 1.278 0.450) 1.987 4.959 ( -0.277 1.543 -0.773) 1.748 5.108 ( -1.870 -2.137 -2.463) 3.760 5.322 ( 0.234 -0.256 1.702) 1.737 5.600 ( 0.410 -0.821 -0.517) 1.053 5.664 ( 0.569 -0.270 2.204) 2.292 5.704 ( 0.942 0.467 0.836) 1.343 5.848 ( 1.359 1.249 -1.914) 2.659 5.920 ( -0.388 0.544 -1.841) 1.958 6.034 ( 0.100 -0.434 -2.626) 2.664 6.122 ( -0.974 -4.169 3.452) 5.500 6.173 ( 4.025 -0.431 1.093) 4.193 6.305 ( -1.051 1.789 -1.028) 2.315 6.365 ( -0.135 0.961 0.942) 1.352 7.065 ( -2.437 -0.649 -1.115) 2.757 7.093 ( -2.821 0.429 0.025) 2.853 7.153 ( 0.320 -2.516 2.274) 3.406 7.230 ( 2.712 0.939 -0.591) 2.930 7.329 ( 0.044 0.652 -2.069) 2.170 7.406 ( 1.265 1.113 0.582) 1.782 7.747 ( -0.784 -1.858 0.933) 2.222 7.758 ( -0.403 -0.262 -0.356) 0.598 8.131 ( -1.485 -0.373 0.285) 1.557 8.176 ( -2.447 1.582 -1.636) 3.341 8.229 ( -2.467 1.347 2.141) 3.534 8.277 ( -2.301 1.085 -0.202) 2.552 8.366 ( -1.471 1.818 -1.855) 2.985 8.452 ( 0.002 0.110 1.231) 1.236 10.968 ( -0.624 -0.335 0.379) 0.803 11.062 ( -0.234 0.780 -0.247) 0.851 11.499 ( -0.411 0.123 -1.056) 1.139 11.559 ( 0.185 1.446 0.904) 1.715 12.844 ( 0.412 2.639 0.952) 2.836 12.920 ( -0.050 1.977 -0.833) 2.146 14.580 ( 0.678 0.658 0.606) 1.122 14.622 ( 0.518 0.162 -0.675) 0.866 15.541 ( 1.373 -2.418 0.922) 2.929 15.659 ( 1.735 1.365 0.891) 2.381 15.681 ( 2.845 0.714 -2.585) 3.910 15.883 ( 1.693 3.820 0.708) 4.238 16.405 ( 3.118 0.536 -0.108) 3.165 16.640 ( 2.010 -0.691 0.302) 2.147 16.895 ( 3.152 -3.973 0.097) 5.072 17.270 ( -0.831 -4.986 -0.508) 5.080 ======================= Grid point 14 (10/70) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 5.185 1.916 0.972) 5.613 0.888 ( 2.430 0.314 1.018) 2.653 0.993 ( 2.250 0.228 -0.587) 2.337 1.034 ( 1.790 -0.718 0.080) 1.930 1.089 ( 0.244 1.389 -2.644) 2.997 1.275 ( -0.474 -4.296 -2.542) 5.014 1.312 ( 0.309 -0.231 0.620) 0.730 1.336 ( 2.450 0.155 0.405) 2.489 1.399 ( 0.735 -2.206 2.718) 3.577 1.440 ( 0.999 3.483 2.053) 4.165 1.478 ( 0.602 -2.543 0.624) 2.687 1.520 ( 2.579 3.272 -2.536) 4.877 1.564 ( -0.633 1.448 -0.001) 1.581 1.626 ( -0.838 2.870 -0.470) 3.026 1.656 ( 1.444 0.850 -0.242) 1.693 1.712 ( -1.209 0.817 -0.341) 1.498 1.730 ( -0.124 -1.899 2.181) 2.894 1.807 ( -1.087 2.225 -0.399) 2.509 1.925 ( -3.297 -2.946 -4.560) 6.351 2.132 ( 2.419 0.184 5.055) 5.607 2.220 ( 0.528 -2.078 -0.926) 2.335 2.329 ( 1.299 0.846 0.478) 1.622 2.428 ( 0.235 -3.045 -1.965) 3.631 2.475 ( 0.187 -0.577 1.533) 1.648 3.333 ( 1.653 0.754 -2.317) 2.945 3.444 ( 0.476 -0.355 -3.174) 3.229 3.636 ( -0.322 0.112 1.355) 1.397 3.676 ( 2.629 0.829 3.464) 4.427 3.872 ( 1.294 3.519 -0.789) 3.831 4.201 ( -2.394 0.534 -1.541) 2.897 4.268 ( 3.243 4.406 0.880) 5.541 4.323 ( 4.209 3.071 0.820) 5.274 4.562 ( -3.219 0.211 1.237) 3.455 4.662 ( 1.939 0.629 0.521) 2.104 4.878 ( -1.092 1.584 0.473) 1.981 4.908 ( -4.365 1.154 0.385) 4.531 5.136 ( -0.655 -3.228 -2.274) 4.003 5.319 ( 0.806 1.276 -0.382) 1.557 5.615 ( 1.738 -0.071 -0.487) 1.806 5.693 ( 0.751 -0.608 2.775) 2.938 5.732 ( 2.978 -0.270 -0.822) 3.101 5.816 ( 0.264 2.128 -1.240) 2.477 5.901 ( -1.013 0.373 -0.341) 1.133 6.014 ( -3.173 0.302 -0.999) 3.340 6.137 ( -3.348 1.927 1.437) 4.121 6.187 ( -0.768 -0.414 1.155) 1.448 6.317 ( 4.522 -0.554 1.403) 4.767 6.351 ( -0.081 0.098 -1.431) 1.436 7.049 ( -2.685 -1.263 -2.560) 3.919 7.076 ( -0.131 -1.089 0.038) 1.098 7.211 ( 2.708 -0.446 0.632) 2.816 7.248 ( 2.487 0.655 0.404) 2.603 7.314 ( -0.177 0.021 -0.772) 0.793 7.395 ( 0.203 0.904 0.634) 1.123 7.748 ( -1.542 -0.117 -0.532) 1.635 7.769 ( -1.126 -0.734 1.584) 2.077 8.127 ( -0.623 -0.811 -0.395) 1.096 8.141 ( -0.481 -0.625 0.143) 0.801 8.210 ( -1.438 -0.052 -1.134) 1.832 8.271 ( 0.210 -1.989 1.985) 2.818 8.334 ( -0.375 -0.182 -1.092) 1.168 8.450 ( -0.159 0.443 0.150) 0.494 10.973 ( -0.229 -0.487 0.256) 0.596 11.049 ( -0.114 0.235 -0.138) 0.296 11.493 ( -0.512 -0.527 -1.034) 1.269 11.542 ( 0.150 1.102 0.943) 1.458 12.814 ( 0.217 1.434 0.067) 1.451 12.893 ( -0.218 0.693 -0.063) 0.729 14.572 ( -0.085 0.804 -0.077) 0.812 14.623 ( 0.394 0.041 0.010) 0.396 15.595 ( 1.107 -1.992 0.148) 2.284 15.630 ( 0.280 3.099 1.328) 3.383 15.683 ( 1.130 1.104 -2.172) 2.686 15.821 ( -0.734 3.907 0.670) 4.031 16.410 ( 0.581 1.341 -0.019) 1.462 16.654 ( 0.375 0.767 0.174) 0.872 16.967 ( 3.253 -0.482 -0.401) 3.313 17.318 ( -1.607 -2.021 0.312) 2.601 ======================= Grid point 15 (11/70) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 5.682 2.222 1.212) 6.221 0.907 ( 1.773 0.796 1.183) 2.275 0.956 ( -1.350 4.622 -3.539) 5.976 1.022 ( 1.331 2.733 -1.490) 3.386 1.043 ( -0.332 3.087 0.244) 3.114 1.254 ( 0.197 4.108 0.893) 4.209 1.287 ( 0.785 3.775 -1.248) 4.052 1.376 ( 0.712 4.596 0.055) 4.651 1.392 ( 0.625 -5.754 -0.262) 5.793 1.460 ( 2.422 4.915 -0.487) 5.501 1.480 ( -0.723 -0.545 3.380) 3.499 1.523 ( -0.157 0.417 0.369) 0.578 1.557 ( 1.304 -0.807 -0.776) 1.719 1.589 ( 0.025 -2.572 -0.749) 2.679 1.648 ( -1.142 0.695 0.131) 1.343 1.714 ( -0.122 -1.362 -0.503) 1.457 1.733 ( 1.046 2.495 0.282) 2.720 1.793 ( -1.929 -2.751 1.242) 3.581 1.907 ( -3.317 0.122 -3.802) 5.047 2.156 ( 2.103 1.613 4.082) 4.867 2.243 ( 0.363 0.053 -0.130) 0.389 2.298 ( 1.115 4.065 0.183) 4.219 2.424 ( -1.513 3.196 -1.307) 3.770 2.459 ( 0.636 2.546 1.414) 2.981 3.380 ( 1.486 -1.901 2.144) 3.227 3.435 ( -0.192 -1.267 -1.884) 2.279 3.590 ( 3.809 7.265 -7.879) 11.374 3.652 ( 0.509 -0.162 0.721) 0.897 3.852 ( -4.198 1.768 4.995) 6.760 4.069 ( -4.609 6.413 -0.197) 7.900 4.242 ( 2.316 2.566 0.774) 3.543 4.327 ( 3.366 3.635 0.103) 4.955 4.501 ( -3.469 2.342 -2.790) 5.030 4.638 ( -2.733 1.676 3.612) 4.829 4.836 ( -1.817 1.388 0.524) 2.346 4.857 ( -4.115 -0.734 0.686) 4.236 5.178 ( -0.497 -2.748 -1.544) 3.191 5.301 ( 1.077 1.586 -0.938) 2.134 5.642 ( 2.331 -0.827 0.138) 2.477 5.711 ( 0.680 0.034 1.359) 1.520 5.722 ( 2.749 4.039 -2.071) 5.306 5.815 ( -0.327 -2.178 -0.627) 2.290 5.863 ( -2.486 2.367 1.747) 3.852 5.984 ( -3.165 -1.424 -0.056) 3.471 6.063 ( -3.708 1.770 1.439) 4.354 6.165 ( -0.633 2.192 -0.470) 2.329 6.343 ( 0.287 -0.357 -1.373) 1.448 6.390 ( 3.278 -1.033 1.215) 3.645 7.049 ( -1.451 -2.101 -2.685) 3.705 7.113 ( 1.098 -2.187 0.159) 2.452 7.216 ( 2.223 2.828 -0.146) 3.600 7.242 ( 1.795 2.196 -0.567) 2.893 7.313 ( -0.586 0.252 0.408) 0.758 7.401 ( 0.044 -1.131 1.147) 1.612 7.725 ( -1.589 0.181 -0.680) 1.738 7.776 ( -0.564 -0.955 1.757) 2.078 8.148 ( 0.388 -1.980 -0.074) 2.019 8.192 ( 0.426 -3.875 1.568) 4.202 8.213 ( 0.356 -2.085 -2.544) 3.308 8.311 ( 0.845 -0.673 0.860) 1.381 8.370 ( 0.677 -3.489 0.386) 3.575 8.437 ( -0.394 0.328 -0.602) 0.791 10.980 ( 0.134 -0.277 -0.009) 0.308 11.053 ( 0.005 -0.703 0.068) 0.706 11.502 ( -0.446 -1.426 -0.562) 1.596 11.529 ( 0.017 0.719 0.563) 0.913 12.800 ( -0.208 0.106 -0.495) 0.548 12.893 ( -0.313 -0.898 0.414) 1.038 14.553 ( -0.538 0.759 -0.556) 1.084 14.627 ( 0.293 0.033 0.532) 0.608 15.577 ( 0.474 3.496 0.061) 3.529 15.627 ( 0.754 -0.053 -0.469) 0.889 15.647 ( -0.734 2.598 0.270) 2.713 15.747 ( -3.839 1.646 0.118) 4.179 16.368 ( -0.995 3.073 0.016) 3.231 16.624 ( -0.744 2.327 0.095) 2.445 16.971 ( 3.018 3.725 -0.904) 4.879 17.312 ( -1.788 0.684 1.059) 2.187 ======================= Grid point 16 (12/70) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.712 8.683 -2.436) 9.180 0.805 ( 1.404 8.181 -0.056) 8.301 0.917 ( 1.944 3.382 -0.918) 4.008 0.949 ( -1.341 3.894 0.097) 4.119 0.996 ( 0.606 1.199 -0.331) 1.384 1.168 ( 1.768 7.274 2.194) 7.801 1.258 ( 0.740 1.648 -0.821) 1.984 1.299 ( 0.102 3.315 -1.228) 3.536 1.365 ( -0.608 4.556 -0.656) 4.643 1.442 ( 0.506 4.058 0.423) 4.111 1.477 ( -1.188 -0.608 0.307) 1.370 1.518 ( -0.171 0.221 1.772) 1.794 1.560 ( -0.424 0.986 -1.217) 1.623 1.628 ( 0.202 0.431 0.909) 1.026 1.664 ( -0.068 -0.780 0.110) 0.791 1.677 ( 1.391 1.379 0.249) 1.975 1.743 ( -0.384 1.822 -0.377) 1.900 1.815 ( -1.729 1.956 -3.151) 4.092 1.826 ( -2.929 -1.097 1.735) 3.576 2.140 ( 1.016 3.028 1.727) 3.631 2.206 ( -1.008 4.030 -1.045) 4.283 2.228 ( 3.106 6.741 0.162) 7.424 2.300 ( -3.225 6.110 0.103) 6.910 2.416 ( 1.025 3.432 1.653) 3.945 3.363 ( -0.811 1.348 -1.859) 2.435 3.498 ( 4.428 0.239 -4.052) 6.007 3.562 ( 2.429 -3.478 1.512) 4.504 3.636 ( -3.456 1.791 2.552) 4.654 3.749 ( -4.162 2.192 0.672) 4.752 3.931 ( -2.326 6.440 0.746) 6.888 4.181 ( -1.339 6.187 -1.325) 6.468 4.291 ( 2.397 2.461 2.861) 4.470 4.391 ( -3.817 4.339 -4.583) 7.375 4.601 ( -1.665 1.281 2.976) 3.643 4.802 ( -1.165 0.825 0.013) 1.427 4.857 ( -1.797 -2.621 0.297) 3.192 5.211 ( 0.077 -1.631 -0.181) 1.643 5.281 ( 0.629 1.253 -1.072) 1.765 5.669 ( 1.795 2.439 -0.453) 3.063 5.704 ( 1.863 -1.755 2.612) 3.657 5.725 ( 0.502 -1.304 -0.498) 1.483 5.794 ( -3.646 -0.215 -1.017) 3.791 5.865 ( 1.830 -0.918 -0.044) 2.047 5.955 ( -3.944 0.247 0.068) 3.953 6.045 ( -0.475 -1.134 1.093) 1.645 6.106 ( 0.007 3.819 -0.749) 3.892 6.346 ( 0.152 0.132 -0.661) 0.691 6.423 ( 1.223 0.379 0.652) 1.437 7.069 ( -0.223 -1.903 -2.168) 2.893 7.162 ( 1.231 -1.451 0.037) 1.903 7.175 ( 0.212 2.407 0.189) 2.424 7.213 ( 0.099 1.837 -0.336) 1.870 7.301 ( -0.534 0.374 0.419) 0.775 7.423 ( 0.393 -0.440 0.573) 0.822 7.717 ( -0.356 -0.740 -0.439) 0.931 7.803 ( 0.436 -1.427 1.212) 1.923 8.195 ( 0.805 -2.501 -0.113) 2.630 8.262 ( 0.505 -2.761 -0.554) 2.861 8.275 ( 0.144 -4.642 -0.030) 4.645 8.324 ( 0.797 0.053 -0.100) 0.805 8.431 ( 0.300 -1.800 1.219) 2.195 8.443 ( -0.165 -2.271 -0.757) 2.399 10.987 ( 0.258 -0.454 -0.019) 0.523 11.068 ( 0.019 -0.841 0.056) 0.843 11.520 ( 0.048 0.289 0.409) 0.503 11.530 ( -0.365 -2.022 -0.385) 2.090 12.801 ( -0.607 -0.897 -0.816) 1.356 12.920 ( -0.252 -2.410 0.555) 2.486 14.535 ( -0.486 0.401 -0.463) 0.782 14.629 ( 0.169 0.364 0.511) 0.650 15.526 ( -0.304 2.944 -0.148) 2.963 15.557 ( 0.393 5.171 0.727) 5.237 15.639 ( -0.197 0.031 -0.750) 0.776 15.696 ( -4.859 -0.935 0.280) 4.956 16.294 ( -1.208 3.783 0.064) 3.972 16.568 ( -0.789 2.867 -0.046) 2.974 16.890 ( 1.671 8.074 -0.956) 8.300 17.272 ( -0.788 2.693 1.544) 3.203 ======================= Grid point 17 (13/70) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 13.506 0.000) 13.506 0.618 ( 0.000 14.869 0.000) 14.869 0.826 ( 0.000 4.646 0.000) 4.646 0.929 ( 0.000 0.929 0.000) 0.929 0.991 ( 0.000 1.090 0.000) 1.090 1.038 ( 0.000 8.896 0.000) 8.896 1.177 ( 0.000 11.746 0.000) 11.746 1.255 ( 0.000 15.247 0.000) 15.247 1.263 ( 0.000 0.371 0.000) 0.371 1.346 ( 0.000 4.846 0.000) 4.846 1.384 ( 0.000 1.372 0.000) 1.372 1.471 ( 0.000 4.604 0.000) 4.604 1.566 ( -0.000 -0.756 -0.000) 0.756 1.582 ( 0.000 4.626 0.000) 4.626 1.633 ( 0.000 2.206 0.000) 2.206 1.660 ( -0.000 -0.064 -0.000) 0.064 1.723 ( -0.000 -0.921 -0.000) 0.921 1.798 ( 0.000 1.872 0.000) 1.872 1.826 ( -0.000 -0.314 -0.000) 0.314 2.065 ( 0.000 9.861 0.000) 9.861 2.117 ( 0.000 1.307 0.000) 1.307 2.123 ( 0.000 3.653 0.000) 3.653 2.229 ( 0.000 1.382 0.000) 1.382 2.383 ( 0.000 1.559 0.000) 1.559 3.350 ( -0.000 -1.243 -0.000) 1.243 3.515 ( 0.000 3.568 0.000) 3.568 3.567 ( -0.000 -3.138 -0.000) 3.138 3.693 ( -0.000 -5.691 -0.000) 5.691 3.707 ( 0.000 2.466 0.000) 2.466 3.811 ( 0.000 3.968 0.000) 3.968 4.056 ( 0.000 5.736 0.000) 5.736 4.225 ( 0.000 6.643 0.000) 6.643 4.324 ( 0.000 0.820 0.000) 0.820 4.555 ( 0.000 3.526 0.000) 3.526 4.796 ( -0.000 -1.030 -0.000) 1.030 4.903 ( -0.000 -3.414 -0.000) 3.414 5.218 ( 0.000 1.276 0.000) 1.276 5.280 ( -0.000 -1.348 -0.000) 1.348 5.653 ( -0.000 -0.240 -0.000) 0.240 5.743 ( -0.000 -1.764 -0.000) 1.764 5.783 ( -0.000 -1.557 -0.000) 1.557 5.803 ( -0.000 -4.742 -0.000) 4.742 5.870 ( 0.000 1.266 0.000) 1.266 5.944 ( -0.000 -1.359 -0.000) 1.359 6.029 ( 0.000 4.870 0.000) 4.870 6.058 ( 0.000 0.126 0.000) 0.126 6.335 ( 0.000 0.934 0.000) 0.934 6.411 ( 0.000 1.736 0.000) 1.736 7.092 ( -0.000 -1.141 -0.000) 1.141 7.137 ( 0.000 1.127 0.000) 1.127 7.187 ( 0.000 0.961 0.000) 0.961 7.202 ( -0.000 -1.411 -0.000) 1.411 7.295 ( -0.000 -0.041 -0.000) 0.041 7.423 ( 0.000 0.685 0.000) 0.685 7.735 ( -0.000 -1.346 -0.000) 1.346 7.829 ( -0.000 -0.727 -0.000) 0.727 8.243 ( -0.000 -2.269 -0.000) 2.269 8.277 ( 0.000 0.601 0.000) 0.601 8.346 ( -0.000 -1.802 -0.000) 1.802 8.354 ( -0.000 -4.161 -0.000) 4.161 8.464 ( -0.000 -1.707 -0.000) 1.707 8.478 ( -0.000 -1.549 -0.000) 1.549 11.000 ( -0.000 -0.721 -0.000) 0.721 11.079 ( -0.000 -0.387 -0.000) 0.387 11.517 ( 0.000 0.062 0.000) 0.062 11.564 ( -0.000 -2.076 -0.000) 2.076 12.812 ( -0.000 -1.125 -0.000) 1.125 12.971 ( -0.000 -3.222 -0.000) 3.222 14.529 ( -0.000 -0.179 -0.000) 0.179 14.620 ( 0.000 0.869 0.000) 0.869 15.439 ( 0.000 4.852 0.000) 4.852 15.526 ( 0.000 0.435 0.000) 0.435 15.629 ( 0.000 0.643 0.000) 0.643 15.685 ( -0.000 -1.365 -0.000) 1.365 16.231 ( 0.000 2.182 0.000) 2.182 16.518 ( 0.000 2.174 0.000) 2.174 16.726 ( 0.000 11.253 0.000) 11.253 17.219 ( 0.000 3.311 0.000) 3.311 ======================= Grid point 20 (14/70) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 10.101 0.000 1.288) 10.183 0.703 ( 5.962 0.000 0.233) 5.967 0.799 ( 6.998 0.000 -3.638) 7.888 0.814 ( -0.800 -0.000 0.563) 0.978 0.968 ( 4.902 0.000 -1.554) 5.142 1.019 ( 3.948 0.000 3.115) 5.028 1.100 ( 2.092 0.000 -2.055) 2.932 1.137 ( 2.457 0.000 11.337) 11.600 1.257 ( 10.065 0.000 -5.327) 11.388 1.304 ( 0.167 0.000 -4.135) 4.139 1.424 ( 1.317 0.000 1.921) 2.329 1.464 ( 3.718 0.000 0.396) 3.740 1.521 ( 5.311 0.000 1.262) 5.459 1.583 ( 0.941 0.000 1.710) 1.952 1.659 ( -0.810 -0.000 0.554) 0.981 1.755 ( 2.823 0.000 -0.168) 2.828 1.760 ( 0.953 0.000 -1.405) 1.697 1.794 ( 4.355 0.000 1.280) 4.539 1.932 ( 3.071 0.000 -1.369) 3.362 2.026 ( 6.553 0.000 2.360) 6.965 2.105 ( 0.013 0.000 -1.640) 1.640 2.194 ( 2.680 0.000 2.696) 3.801 2.251 ( 1.178 0.000 0.442) 1.259 2.278 ( 0.272 0.000 -5.510) 5.516 3.391 ( -2.011 -0.000 3.368) 3.923 3.470 ( 1.937 0.000 -0.146) 1.942 3.624 ( 3.264 0.000 -0.873) 3.379 3.708 ( 0.696 0.000 -3.498) 3.567 3.928 ( 5.526 0.000 -5.340) 7.685 4.042 ( 7.634 0.000 2.488) 8.029 4.271 ( 9.020 0.000 1.591) 9.159 4.283 ( 7.910 0.000 1.461) 8.044 4.460 ( 2.362 0.000 -5.895) 6.350 4.528 ( 9.550 0.000 3.845) 10.295 4.895 ( 4.130 0.000 -0.896) 4.226 5.037 ( 1.665 0.000 0.881) 1.883 5.100 ( -2.028 -0.000 1.306) 2.413 5.282 ( -2.123 -0.000 1.346) 2.514 5.620 ( -3.789 -0.000 -1.766) 4.180 5.706 ( -3.849 -0.000 3.104) 4.945 5.776 ( -0.506 -0.000 3.625) 3.661 5.825 ( -1.165 -0.000 -2.384) 2.653 5.880 ( 2.191 0.000 -5.656) 6.065 5.990 ( 3.752 0.000 3.757) 5.310 6.001 ( -0.546 -0.000 -1.257) 1.371 6.037 ( 2.053 0.000 -2.192) 3.003 6.355 ( 0.814 0.000 -0.395) 0.905 6.384 ( 1.093 0.000 1.612) 1.947 7.021 ( -3.423 -0.000 3.992) 5.259 7.101 ( -5.144 -0.000 -0.622) 5.182 7.240 ( 4.281 0.000 -1.593) 4.568 7.259 ( -1.024 -0.000 -1.859) 2.122 7.362 ( -1.874 -0.000 1.084) 2.165 7.393 ( 4.157 0.000 -0.503) 4.187 7.699 ( -2.952 -0.000 -0.858) 3.074 7.757 ( -1.378 -0.000 1.003) 1.704 8.130 ( -5.405 -0.000 0.911) 5.482 8.286 ( -3.185 -0.000 -2.213) 3.879 8.308 ( -1.335 -0.000 2.989) 3.274 8.409 ( -3.598 -0.000 -2.277) 4.258 8.446 ( -0.885 -0.000 -3.371) 3.486 8.452 ( -2.401 -0.000 3.896) 4.577 10.978 ( -1.202 -0.000 -0.239) 1.225 11.085 ( -0.096 -0.000 0.116) 0.151 11.515 ( -0.122 -0.000 0.333) 0.355 11.613 ( -0.201 -0.000 -0.286) 0.350 12.983 ( -2.540 -0.000 4.937) 5.552 13.017 ( -0.023 -0.000 -3.284) 3.284 14.596 ( 1.449 0.000 -1.574) 2.139 14.620 ( 1.787 0.000 1.791) 2.530 15.450 ( 0.347 0.000 2.499) 2.523 15.673 ( 1.854 0.000 3.190) 3.690 15.698 ( 6.431 0.000 -11.067) 12.800 15.873 ( 3.489 0.000 2.688) 4.405 16.527 ( 7.062 0.000 3.641) 7.945 16.610 ( 5.617 0.000 -2.369) 6.096 16.721 ( 4.079 0.000 -6.109) 7.345 16.806 ( 5.250 0.000 1.655) 5.505 ======================= Grid point 21 (15/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 7.158 -3.104 0.054) 7.802 0.779 ( 2.443 -3.604 0.351) 4.368 0.809 ( 1.940 0.004 -0.121) 1.944 0.887 ( 4.409 -1.392 -0.516) 4.652 1.044 ( 5.198 -1.379 -0.954) 5.462 1.089 ( 5.780 -1.907 3.297) 6.922 1.130 ( 2.287 -3.149 -1.226) 4.081 1.235 ( -0.369 -2.927 1.616) 3.364 1.273 ( 1.932 -0.189 -1.092) 2.227 1.352 ( 3.435 -2.479 -2.260) 4.801 1.454 ( 1.799 -1.156 0.546) 2.207 1.529 ( 2.431 -2.354 0.558) 3.430 1.574 ( 2.718 -0.006 0.398) 2.747 1.620 ( 0.284 -2.586 0.206) 2.610 1.663 ( -0.003 -0.612 2.351) 2.429 1.764 ( -0.048 -0.321 -0.917) 0.973 1.785 ( 3.668 0.120 -0.495) 3.703 1.814 ( 2.325 1.912 -0.088) 3.012 1.946 ( 1.732 1.348 -0.998) 2.411 2.081 ( 1.709 1.014 2.319) 3.054 2.115 ( 1.837 -1.644 -1.459) 2.865 2.237 ( 2.708 -0.303 2.063) 3.417 2.245 ( 0.099 -0.318 -1.596) 1.630 2.315 ( 4.189 -2.465 -1.521) 5.093 3.392 ( -0.874 -0.377 2.460) 2.637 3.494 ( 3.591 0.425 3.310) 4.902 3.633 ( 0.861 3.997 -6.442) 7.630 3.674 ( 1.923 1.008 0.093) 2.173 3.986 ( 7.053 -1.284 -3.027) 7.782 4.105 ( 4.999 1.549 2.063) 5.625 4.342 ( 7.360 0.643 1.701) 7.581 4.403 ( 7.402 -1.699 0.477) 7.609 4.494 ( 3.916 -1.229 -4.789) 6.307 4.622 ( 7.635 1.247 2.722) 8.201 4.939 ( 4.767 0.566 -0.297) 4.810 5.034 ( 1.016 2.187 -0.184) 2.418 5.085 ( -1.717 0.343 0.072) 1.753 5.272 ( -1.540 -1.147 3.355) 3.866 5.580 ( -1.002 0.159 -1.612) 1.904 5.675 ( -2.654 0.165 2.607) 3.724 5.772 ( -1.340 2.136 -2.244) 3.375 5.813 ( 0.418 -2.651 1.755) 3.206 5.911 ( 1.432 -1.250 -2.765) 3.356 5.990 ( 0.492 -0.174 -1.736) 1.812 6.036 ( 1.019 -0.803 0.078) 1.299 6.092 ( 3.985 -3.214 0.541) 5.148 6.353 ( 0.130 0.964 0.081) 0.977 6.397 ( 0.592 0.241 1.228) 1.384 7.013 ( -3.340 -1.800 3.395) 5.092 7.050 ( -5.204 -0.616 -0.329) 5.251 7.204 ( -1.375 3.119 -1.811) 3.860 7.274 ( 3.136 0.569 -1.740) 3.631 7.343 ( -1.448 0.288 0.742) 1.652 7.432 ( 3.366 0.247 -0.207) 3.381 7.687 ( -1.289 -1.215 0.253) 1.789 7.748 ( -0.978 -0.243 -0.224) 1.032 8.092 ( -3.965 -1.025 1.796) 4.472 8.233 ( -3.292 1.195 -2.664) 4.401 8.283 ( -3.719 0.825 2.021) 4.313 8.343 ( -3.972 1.820 -1.014) 4.485 8.416 ( -0.879 0.863 -3.114) 3.349 8.451 ( -1.264 -0.317 3.227) 3.480 10.965 ( -1.127 0.052 -0.025) 1.128 11.081 ( -0.279 0.243 -0.031) 0.371 11.512 ( -0.113 0.385 0.236) 0.465 11.602 ( -0.394 0.757 -0.208) 0.878 12.950 ( -1.026 2.500 2.771) 3.871 12.992 ( -0.283 1.463 -2.283) 2.727 14.603 ( 1.193 0.344 -0.815) 1.485 14.636 ( 1.381 0.615 0.895) 1.757 15.477 ( 1.513 -1.053 1.796) 2.574 15.700 ( 1.998 0.664 3.268) 3.887 15.711 ( 5.921 1.290 -7.397) 9.562 15.931 ( 1.930 -1.269 1.469) 2.737 16.542 ( 5.718 6.585 -0.109) 8.722 16.648 ( 5.167 2.430 0.464) 5.729 16.728 ( 5.530 -3.895 -0.649) 6.795 16.999 ( 1.318 -10.048 -0.629) 10.154 ======================= Grid point 22 (16/70) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.262 0.765 -1.329) 3.604 0.861 ( 2.023 -3.149 1.443) 4.011 0.916 ( 4.325 -5.608 1.404) 7.220 0.948 ( 3.244 -1.218 1.048) 3.620 1.096 ( 4.909 0.316 -3.270) 5.907 1.190 ( 6.347 -1.776 0.793) 6.638 1.207 ( -0.970 -1.796 -4.340) 4.796 1.257 ( 1.365 -4.732 1.852) 5.261 1.340 ( 0.683 -2.074 0.063) 2.185 1.396 ( 0.621 -1.299 1.958) 2.431 1.503 ( 1.307 -1.313 -0.105) 1.856 1.575 ( -0.209 -1.587 -1.228) 2.017 1.597 ( 0.624 -1.163 1.155) 1.754 1.657 ( 0.109 -1.008 -0.561) 1.159 1.666 ( -0.094 1.011 1.938) 2.188 1.753 ( -0.369 1.825 -0.556) 1.943 1.785 ( -0.529 1.923 0.791) 2.146 1.829 ( 3.419 -0.886 -2.724) 4.460 1.910 ( -0.064 3.032 -0.850) 3.150 2.094 ( 1.021 -0.673 3.435) 3.646 2.152 ( 0.900 -1.525 -1.479) 2.307 2.261 ( 0.510 -2.852 -0.435) 2.929 2.303 ( 3.165 -2.181 -0.225) 3.850 2.399 ( 2.748 -2.579 0.529) 3.806 3.394 ( 0.961 0.266 -1.553) 1.845 3.500 ( -0.154 4.967 -6.191) 7.939 3.587 ( 4.818 -1.501 6.676) 8.368 3.677 ( 0.643 1.370 2.807) 3.189 4.035 ( 3.584 2.431 -4.861) 6.511 4.152 ( 4.630 -0.958 2.396) 5.300 4.397 ( 6.206 2.140 2.576) 7.052 4.460 ( 3.676 1.911 -2.543) 4.861 4.543 ( 3.815 -0.393 0.152) 3.839 4.665 ( 4.695 1.272 1.168) 5.003 4.944 ( 0.313 2.002 0.316) 2.051 4.982 ( -2.160 3.035 -0.409) 3.748 5.065 ( -0.166 -0.239 -1.674) 1.699 5.312 ( 0.754 -1.837 1.940) 2.776 5.595 ( 2.175 -1.118 -0.232) 2.456 5.673 ( -0.036 -0.715 1.968) 2.094 5.725 ( -0.438 1.080 -0.640) 1.330 5.865 ( 1.313 -0.862 -0.422) 1.626 5.910 ( -0.489 -0.146 -3.168) 3.209 6.014 ( 1.313 -0.977 -2.465) 2.959 6.067 ( -0.063 -2.109 3.301) 3.918 6.183 ( 1.805 -2.206 0.182) 2.856 6.332 ( 0.777 1.415 0.748) 1.779 6.389 ( -0.228 1.220 0.303) 1.277 7.006 ( -4.206 -1.258 -1.725) 4.716 7.037 ( -4.144 -2.662 1.956) 5.299 7.150 ( 0.767 0.816 0.732) 1.338 7.281 ( 3.034 1.277 -1.920) 3.811 7.329 ( -0.924 0.109 0.281) 0.972 7.447 ( 2.145 1.337 -0.274) 2.543 7.708 ( -0.605 -1.665 1.163) 2.119 7.744 ( -0.804 -0.506 -0.574) 1.110 8.097 ( -1.437 -1.874 1.822) 2.983 8.166 ( -2.930 1.457 -2.637) 4.202 8.225 ( -3.976 1.292 1.656) 4.497 8.269 ( -3.686 1.519 -0.636) 4.037 8.373 ( -1.348 1.570 -2.172) 3.000 8.458 ( -0.000 -0.043 2.000) 2.000 10.956 ( -0.868 -0.273 0.236) 0.940 11.070 ( -0.360 0.590 -0.175) 0.713 11.500 ( -0.284 0.708 -0.379) 0.852 11.583 ( -0.233 0.997 0.309) 1.069 12.902 ( 0.008 3.046 1.181) 3.267 12.951 ( -0.363 2.070 -1.078) 2.362 14.603 ( 0.809 0.727 0.112) 1.093 14.635 ( 0.801 0.803 -0.132) 1.142 15.524 ( 1.765 -1.773 1.039) 2.709 15.711 ( 1.566 1.533 2.965) 3.687 15.724 ( 4.155 1.269 -5.070) 6.677 15.948 ( 0.867 1.539 0.892) 1.979 16.489 ( 4.119 4.740 -0.243) 6.284 16.669 ( 3.329 0.895 0.357) 3.466 16.863 ( 4.933 -4.617 0.002) 6.757 17.149 ( -0.901 -7.355 -0.276) 7.415 ======================= Grid point 23 (17/70) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 3.025 0.406 -0.363) 3.073 0.937 ( 2.987 -0.594 2.876) 4.189 0.994 ( 1.724 -1.730 -0.767) 2.560 1.032 ( 3.115 -2.299 1.605) 4.191 1.111 ( 1.691 1.130 -3.936) 4.431 1.197 ( -0.709 -2.296 -3.717) 4.426 1.310 ( 1.935 -1.972 1.423) 3.108 1.347 ( 0.391 -0.689 1.385) 1.595 1.370 ( 4.283 -5.116 -0.447) 6.687 1.447 ( 1.057 -1.830 1.991) 2.904 1.502 ( 0.202 2.146 0.074) 2.157 1.577 ( 1.255 0.916 -0.705) 1.706 1.608 ( 0.668 2.544 0.312) 2.649 1.654 ( -3.198 -1.454 1.384) 3.776 1.666 ( 1.198 0.646 -1.683) 2.165 1.703 ( -1.145 1.514 0.491) 1.961 1.728 ( -2.513 2.730 1.133) 3.880 1.838 ( 0.080 2.630 -4.374) 5.105 1.876 ( 1.646 -0.152 0.689) 1.791 2.146 ( 0.832 -2.004 4.528) 5.021 2.188 ( 1.246 -2.055 -2.039) 3.152 2.325 ( 0.483 -2.867 0.160) 2.912 2.369 ( 1.428 -2.947 -1.233) 3.499 2.458 ( 0.837 -1.867 1.016) 2.284 3.369 ( 1.451 2.696 -4.725) 5.631 3.441 ( 1.101 0.140 -2.273) 2.530 3.638 ( -0.910 0.375 1.242) 1.584 3.726 ( 4.829 -1.031 9.082) 10.338 3.969 ( 1.594 5.291 -5.461) 7.769 4.188 ( -0.646 0.937 -0.101) 1.142 4.414 ( 5.635 5.349 3.083) 8.359 4.432 ( 4.223 2.435 -1.161) 5.011 4.555 ( 0.217 2.033 1.493) 2.531 4.687 ( 0.886 0.601 -0.747) 1.306 4.887 ( -4.487 2.474 0.677) 5.169 4.906 ( -2.005 2.066 0.295) 2.895 5.076 ( 0.148 -1.558 -1.776) 2.367 5.339 ( 0.932 0.067 -0.377) 1.008 5.636 ( 2.634 -0.143 -0.406) 2.669 5.697 ( 0.823 -0.686 1.748) 2.051 5.739 ( 1.303 -1.883 0.801) 2.426 5.860 ( 1.097 1.920 -1.666) 2.769 5.906 ( 0.877 0.131 -2.133) 2.310 5.999 ( -1.500 2.005 -1.240) 2.794 6.109 ( -3.024 -1.442 3.217) 4.644 6.184 ( -1.346 0.707 0.838) 1.736 6.348 ( 0.637 0.028 -0.416) 0.761 6.368 ( 2.782 0.619 0.358) 2.872 6.984 ( -3.273 -1.622 -2.348) 4.343 7.042 ( -1.683 -1.928 0.352) 2.583 7.207 ( 2.543 -3.486 2.354) 4.916 7.289 ( 2.923 0.643 -1.899) 3.544 7.320 ( 0.094 0.631 0.140) 0.654 7.426 ( 0.297 2.387 -0.379) 2.435 7.724 ( -1.425 -0.610 0.766) 1.729 7.745 ( -1.217 -0.810 0.542) 1.559 8.106 ( -1.139 -0.102 -1.164) 1.631 8.129 ( -0.910 -0.267 0.386) 1.024 8.188 ( -2.239 0.056 -0.041) 2.240 8.233 ( -1.608 -1.897 1.107) 2.722 8.332 ( -0.697 1.013 -1.432) 1.887 8.459 ( 0.017 0.505 0.762) 0.914 10.959 ( -0.475 -0.728 0.295) 0.918 11.055 ( -0.238 0.630 -0.179) 0.697 11.484 ( -0.403 0.395 -0.698) 0.897 11.565 ( -0.022 1.080 0.588) 1.230 12.855 ( 0.245 2.744 0.250) 2.766 12.912 ( -0.266 1.701 -0.229) 1.737 14.592 ( 0.201 1.304 0.174) 1.331 14.630 ( 0.491 0.332 -0.237) 0.639 15.575 ( 1.292 -1.869 0.434) 2.313 15.693 ( 0.380 2.785 3.206) 4.264 15.717 ( 2.452 1.808 -4.366) 5.324 15.901 ( -0.028 4.539 0.685) 4.590 16.456 ( 1.748 2.828 -0.036) 3.325 16.679 ( 1.403 1.071 0.164) 1.773 16.977 ( 4.177 -2.825 -0.248) 5.049 17.238 ( -2.001 -4.783 0.155) 5.187 ======================= Grid point 24 (18/70) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 2.794 -0.722 0.644) 2.957 0.939 ( 0.413 2.699 0.524) 2.781 1.027 ( 1.329 1.517 -0.343) 2.045 1.066 ( 1.024 1.087 -0.429) 1.554 1.076 ( 0.364 1.973 -1.304) 2.393 1.245 ( -0.621 -3.680 -1.388) 3.982 1.322 ( 0.450 -1.294 0.328) 1.408 1.374 ( 0.158 1.773 0.375) 1.819 1.458 ( 1.044 1.710 0.063) 2.005 1.478 ( 2.940 0.289 2.804) 4.073 1.509 ( 2.190 -3.193 0.361) 3.888 1.551 ( -0.088 3.032 -0.886) 3.160 1.572 ( 2.353 1.911 -0.836) 3.144 1.596 ( -1.816 3.103 -0.240) 3.603 1.633 ( -3.444 1.209 0.115) 3.652 1.697 ( -0.022 -1.649 -0.085) 1.652 1.724 ( -1.283 -2.506 1.134) 3.035 1.776 ( -0.067 2.601 -1.211) 2.870 1.889 ( 0.444 0.471 -1.118) 1.291 2.191 ( 0.672 -0.580 2.951) 3.081 2.229 ( 0.747 -1.698 -1.139) 2.176 2.352 ( 0.526 0.383 0.295) 0.714 2.419 ( 0.041 -1.754 -1.109) 2.076 2.483 ( -0.124 -0.078 0.717) 0.731 3.361 ( 1.389 -1.573 -0.819) 2.252 3.441 ( 0.576 1.200 -1.557) 2.049 3.629 ( -0.479 -0.285 0.105) 0.567 3.751 ( 2.740 5.514 0.180) 6.160 3.891 ( 0.071 3.840 1.113) 3.999 4.108 ( -3.538 3.870 -1.106) 5.359 4.367 ( 4.641 5.924 2.495) 7.928 4.454 ( 4.223 5.560 -0.740) 7.021 4.503 ( 0.248 0.583 -0.103) 0.642 4.634 ( -5.313 2.284 0.236) 5.788 4.810 ( -3.860 0.617 0.503) 3.942 4.863 ( -0.282 1.929 0.798) 2.106 5.108 ( -0.490 -2.914 -1.558) 3.340 5.336 ( 0.817 1.008 -0.392) 1.355 5.655 ( 1.613 -0.226 -0.400) 1.677 5.719 ( 0.329 -0.255 1.111) 1.186 5.791 ( 2.163 -0.344 0.086) 2.192 5.820 ( 1.356 3.163 -1.535) 3.768 5.887 ( -2.473 1.572 0.517) 2.975 5.950 ( 0.752 0.803 -0.414) 1.175 6.054 ( -4.772 1.964 0.965) 5.249 6.178 ( -0.692 0.304 1.128) 1.358 6.334 ( -0.082 -0.074 -1.544) 1.548 6.413 ( 2.520 -0.520 0.999) 2.760 6.987 ( -1.363 -2.298 -1.465) 3.047 7.077 ( 0.066 -2.677 0.130) 2.681 7.288 ( 3.653 0.959 -0.749) 3.851 7.302 ( 1.776 1.722 0.461) 2.517 7.311 ( 0.422 -1.147 0.861) 1.495 7.375 ( -2.380 1.014 -0.526) 2.640 7.709 ( -1.369 0.148 -0.021) 1.377 7.751 ( -0.949 -1.193 0.887) 1.763 8.113 ( -0.337 -1.933 -0.232) 1.976 8.146 ( 0.394 -1.946 0.960) 2.205 8.173 ( -1.073 -1.226 -1.475) 2.197 8.295 ( 0.497 -3.720 1.862) 4.190 8.320 ( -0.233 -0.920 -1.320) 1.626 8.446 ( -0.147 0.999 -0.034) 1.011 10.971 ( -0.115 -0.777 0.123) 0.795 11.046 ( -0.056 0.024 -0.055) 0.082 11.479 ( -0.286 -0.521 -0.443) 0.741 11.548 ( 0.023 1.075 0.394) 1.146 12.817 ( 0.077 1.836 -0.087) 1.839 12.889 ( -0.143 0.616 0.085) 0.639 14.567 ( -0.148 1.388 -0.150) 1.404 14.631 ( 0.254 0.013 0.103) 0.275 15.615 ( 0.587 -1.420 0.031) 1.537 15.646 ( 0.222 3.694 1.254) 3.908 15.688 ( 0.660 1.999 -1.846) 2.800 15.802 ( -1.050 6.298 0.540) 6.408 16.417 ( 0.135 2.979 -0.002) 2.982 16.660 ( 0.114 2.051 0.090) 2.057 17.036 ( 2.665 0.343 -0.434) 2.721 17.280 ( -1.685 -2.339 0.416) 2.913 ======================= Grid point 25 (19/70) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 5.979 0.000) 5.979 0.896 ( -0.000 -2.426 -0.000) 2.426 0.946 ( 0.000 6.948 0.000) 6.948 1.034 ( 0.000 2.364 0.000) 2.364 1.044 ( 0.000 3.784 0.000) 3.784 1.264 ( -0.000 -0.053 -0.000) 0.053 1.296 ( 0.000 6.018 0.000) 6.018 1.388 ( 0.000 5.964 0.000) 5.964 1.397 ( -0.000 -5.374 -0.000) 5.374 1.454 ( 0.000 5.301 0.000) 5.301 1.509 ( 0.000 2.886 0.000) 2.886 1.540 ( -0.000 -0.744 -0.000) 0.744 1.567 ( 0.000 1.120 0.000) 1.120 1.589 ( -0.000 -2.907 -0.000) 2.907 1.622 ( -0.000 -2.480 -0.000) 2.480 1.711 ( 0.000 1.536 0.000) 1.536 1.751 ( -0.000 -2.676 -0.000) 2.676 1.777 ( -0.000 -1.823 -0.000) 1.823 1.855 ( 0.000 3.245 0.000) 3.245 2.191 ( 0.000 1.603 0.000) 1.603 2.242 ( 0.000 0.642 0.000) 0.642 2.328 ( 0.000 2.969 0.000) 2.969 2.392 ( 0.000 4.843 0.000) 4.843 2.471 ( 0.000 1.613 0.000) 1.613 3.400 ( 0.000 2.882 0.000) 2.882 3.435 ( -0.000 -5.329 -0.000) 5.329 3.632 ( 0.000 0.449 0.000) 0.449 3.652 ( 0.000 6.087 0.000) 6.087 3.793 ( 0.000 5.924 0.000) 5.924 4.024 ( 0.000 4.440 0.000) 4.440 4.305 ( 0.000 7.929 0.000) 7.929 4.340 ( 0.000 2.637 0.000) 2.637 4.474 ( 0.000 6.740 0.000) 6.740 4.585 ( -0.000 -1.598 -0.000) 1.598 4.802 ( -0.000 -1.324 -0.000) 1.324 4.832 ( 0.000 1.546 0.000) 1.546 5.158 ( -0.000 -3.386 -0.000) 3.386 5.316 ( 0.000 1.806 0.000) 1.806 5.683 ( -0.000 -1.893 -0.000) 1.893 5.721 ( 0.000 0.196 0.000) 0.196 5.747 ( 0.000 4.309 0.000) 4.309 5.777 ( 0.000 2.087 0.000) 2.087 5.880 ( -0.000 -0.592 -0.000) 0.592 5.939 ( 0.000 1.217 0.000) 1.217 6.017 ( -0.000 -1.096 -0.000) 1.096 6.155 ( 0.000 2.033 0.000) 2.033 6.340 ( -0.000 -0.606 -0.000) 0.606 6.434 ( -0.000 -0.172 -0.000) 0.172 7.021 ( -0.000 -2.585 -0.000) 2.585 7.126 ( -0.000 -2.724 -0.000) 2.724 7.244 ( 0.000 4.050 0.000) 4.050 7.267 ( 0.000 4.086 0.000) 4.086 7.306 ( 0.000 0.267 0.000) 0.267 7.400 ( -0.000 -2.608 -0.000) 2.608 7.703 ( -0.000 -0.352 -0.000) 0.352 7.776 ( -0.000 -1.865 -0.000) 1.865 8.153 ( -0.000 -2.572 -0.000) 2.572 8.201 ( -0.000 -3.720 -0.000) 3.720 8.207 ( -0.000 -3.330 -0.000) 3.330 8.325 ( -0.000 -0.543 -0.000) 0.543 8.379 ( -0.000 -4.100 -0.000) 4.100 8.429 ( 0.000 0.477 0.000) 0.477 10.981 ( -0.000 -0.464 -0.000) 0.464 11.053 ( -0.000 -0.771 -0.000) 0.771 11.494 ( -0.000 -1.520 -0.000) 1.520 11.532 ( 0.000 0.830 0.000) 0.830 12.795 ( 0.000 0.572 0.000) 0.572 12.891 ( -0.000 -0.906 -0.000) 0.906 14.544 ( 0.000 1.014 0.000) 1.014 14.633 ( 0.000 0.020 0.000) 0.020 15.584 ( 0.000 3.688 0.000) 3.688 15.635 ( -0.000 -0.409 -0.000) 0.409 15.665 ( 0.000 0.519 0.000) 0.519 15.675 ( 0.000 6.999 0.000) 6.999 16.357 ( 0.000 3.834 0.000) 3.834 16.616 ( 0.000 2.879 0.000) 2.879 17.009 ( 0.000 4.374 0.000) 4.374 17.291 ( 0.000 0.087 0.000) 0.087 ======================= Grid point 30 (20/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.669 0.000 -1.698) 3.163 0.761 ( 3.738 0.000 1.173) 3.918 0.867 ( 4.679 0.000 1.948) 5.068 0.920 ( 5.072 0.000 -2.342) 5.586 1.056 ( 0.565 0.000 0.390) 0.687 1.097 ( 7.684 0.000 -2.413) 8.054 1.204 ( 6.331 0.000 -0.508) 6.351 1.207 ( -0.095 -0.000 7.213) 7.213 1.268 ( -0.369 -0.000 -4.593) 4.608 1.359 ( 2.541 0.000 -1.973) 3.216 1.476 ( 2.708 0.000 0.795) 2.822 1.529 ( -0.316 -0.000 2.031) 2.056 1.576 ( -1.631 -0.000 -0.296) 1.658 1.604 ( 2.095 0.000 -0.175) 2.102 1.690 ( 3.718 0.000 1.893) 4.172 1.745 ( -0.976 -0.000 -1.810) 2.056 1.823 ( 2.389 0.000 0.904) 2.554 1.850 ( 1.529 0.000 -0.755) 1.705 1.977 ( 1.141 0.000 -0.007) 1.141 2.091 ( -0.534 -0.000 -0.348) 0.637 2.124 ( 1.154 0.000 0.706) 1.352 2.223 ( -1.663 -0.000 -1.344) 2.138 2.292 ( 4.590 0.000 1.504) 4.830 2.329 ( 4.440 0.000 -1.090) 4.572 3.400 ( 0.264 0.000 5.344) 5.351 3.544 ( 3.216 0.000 3.268) 4.585 3.674 ( -0.093 -0.000 -7.125) 7.125 3.689 ( 3.004 0.000 -2.084) 3.656 4.028 ( 5.975 0.000 -1.572) 6.178 4.166 ( 1.959 0.000 1.863) 2.704 4.416 ( 6.849 0.000 -2.616) 7.331 4.481 ( 9.983 0.000 1.401) 10.081 4.534 ( 5.520 0.000 -1.495) 5.719 4.720 ( 6.461 0.000 1.599) 6.656 4.998 ( 3.519 0.000 0.429) 3.545 5.070 ( -0.238 -0.000 -0.183) 0.300 5.076 ( 0.369 0.000 0.391) 0.538 5.260 ( -0.227 -0.000 3.204) 3.212 5.570 ( 0.182 0.000 0.201) 0.271 5.644 ( -2.979 -0.000 0.319) 2.996 5.751 ( -2.942 -0.000 -4.567) 5.433 5.787 ( -0.966 -0.000 2.806) 2.968 5.939 ( 3.763 0.000 -0.962) 3.884 6.001 ( 2.114 0.000 0.136) 2.118 6.037 ( 1.381 0.000 -1.815) 2.281 6.095 ( 3.231 0.000 -0.141) 3.234 6.372 ( 0.404 0.000 1.092) 1.164 6.399 ( -0.568 -0.000 0.522) 0.772 6.963 ( -4.501 -0.000 1.917) 4.892 6.989 ( -4.969 -0.000 0.025) 4.969 7.214 ( -1.650 -0.000 -1.166) 2.021 7.297 ( 1.497 0.000 -1.056) 1.832 7.329 ( -1.656 -0.000 0.562) 1.749 7.469 ( 3.119 0.000 -0.119) 3.121 7.676 ( 1.073 0.000 0.893) 1.396 7.731 ( -1.206 -0.000 -1.168) 1.679 8.053 ( -2.531 -0.000 2.556) 3.597 8.200 ( -3.160 -0.000 -3.358) 4.611 8.251 ( -4.939 -0.000 2.395) 5.489 8.307 ( -4.567 -0.000 -2.081) 5.019 8.405 ( -1.023 -0.000 -2.582) 2.778 8.453 ( -0.174 -0.000 3.410) 3.414 10.953 ( -1.091 -0.000 -0.065) 1.093 11.080 ( -0.369 -0.000 -0.056) 0.373 11.518 ( 0.028 0.000 0.634) 0.634 11.600 ( -0.699 -0.000 -0.511) 0.866 12.969 ( -1.118 -0.000 2.427) 2.672 12.993 ( -0.436 -0.000 -2.253) 2.295 14.614 ( 1.101 0.000 -1.029) 1.507 14.659 ( 0.946 0.000 1.155) 1.493 15.490 ( 1.842 0.000 1.302) 2.255 15.734 ( 1.487 0.000 4.206) 4.461 15.757 ( 4.786 0.000 -7.475) 8.876 15.945 ( 2.182 0.000 1.365) 2.574 16.682 ( 5.343 0.000 3.090) 6.172 16.702 ( 4.844 0.000 -4.410) 6.551 16.771 ( 2.517 0.000 0.266) 2.531 16.901 ( 3.019 0.000 0.803) 3.124 ======================= Grid point 31 (21/70) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.024 -2.334 -0.796) 3.190 0.820 ( 0.990 -2.485 0.226) 2.685 0.914 ( 5.905 -0.694 0.364) 5.957 0.983 ( 4.438 -1.188 1.445) 4.817 1.099 ( 0.872 -2.875 -1.077) 3.192 1.164 ( 2.665 0.221 -4.293) 5.058 1.225 ( 2.466 -1.269 1.077) 2.975 1.240 ( 2.694 -0.358 0.252) 2.730 1.309 ( 1.545 -2.639 1.331) 3.335 1.382 ( 0.580 -1.583 -0.340) 1.720 1.505 ( -0.432 -1.557 -0.841) 1.821 1.516 ( -1.929 -0.122 1.799) 2.640 1.580 ( 0.014 -1.231 0.837) 1.489 1.642 ( 2.565 -1.033 -1.142) 2.991 1.709 ( 0.964 1.518 0.231) 1.813 1.743 ( -0.157 -0.652 -0.174) 0.693 1.831 ( 0.802 1.901 0.313) 2.086 1.858 ( 2.175 0.173 -0.853) 2.343 1.959 ( -0.157 2.423 0.140) 2.432 2.092 ( -0.450 -0.761 0.763) 1.168 2.135 ( 0.094 -0.758 -0.049) 0.766 2.218 ( -0.789 -1.752 -0.859) 2.105 2.325 ( 3.104 0.454 0.366) 3.158 2.392 ( 2.966 -1.848 -0.017) 3.495 3.417 ( 1.087 0.698 3.533) 3.762 3.566 ( 0.574 3.739 -2.107) 4.330 3.618 ( 0.981 0.448 -0.952) 1.438 3.721 ( 3.194 -0.430 0.485) 3.259 4.071 ( 2.065 1.051 -2.647) 3.518 4.193 ( 2.608 -0.906 1.831) 3.312 4.465 ( 4.417 0.973 -2.869) 5.356 4.554 ( 6.992 2.614 1.392) 7.593 4.603 ( 6.798 -0.565 0.914) 6.883 4.758 ( 4.130 2.480 0.350) 4.830 4.968 ( -3.005 2.622 0.362) 4.004 5.015 ( -3.690 3.502 -0.021) 5.088 5.094 ( 3.752 1.451 -0.665) 4.077 5.300 ( 1.910 -1.765 2.670) 3.727 5.599 ( 2.782 -1.402 0.333) 3.133 5.644 ( -0.938 -2.110 0.023) 2.310 5.710 ( -2.423 -0.376 -2.627) 3.594 5.810 ( -2.156 -3.478 1.073) 4.230 5.936 ( 1.945 2.456 -1.520) 3.482 6.037 ( 4.019 0.246 -0.864) 4.119 6.060 ( 2.015 -0.775 1.506) 2.632 6.151 ( 1.349 -2.535 -0.987) 3.036 6.366 ( 0.509 1.002 1.581) 1.940 6.390 ( -1.646 0.043 -0.295) 1.672 6.932 ( -4.679 -1.355 -0.554) 4.902 6.957 ( -3.620 -1.746 0.944) 4.128 7.180 ( -0.200 1.567 0.278) 1.604 7.305 ( 0.492 -0.370 -0.400) 0.734 7.317 ( -1.100 -0.033 -0.319) 1.146 7.489 ( 2.128 0.915 -0.139) 2.321 7.701 ( 1.557 -0.157 1.320) 2.047 7.721 ( -0.724 -0.677 -1.239) 1.587 8.062 ( -0.330 -1.656 2.610) 3.108 8.147 ( -3.131 0.957 -3.147) 4.541 8.205 ( -3.893 0.584 1.814) 4.334 8.245 ( -4.138 0.912 -1.571) 4.519 8.378 ( -0.876 1.044 -1.798) 2.256 8.464 ( 0.115 -0.127 2.137) 2.144 10.944 ( -0.811 -0.143 0.044) 0.825 11.073 ( -0.361 0.279 -0.111) 0.469 11.513 ( -0.057 0.815 0.261) 0.857 11.589 ( -0.509 0.266 -0.195) 0.606 12.948 ( -0.371 1.913 1.094) 2.234 12.972 ( -0.469 1.161 -1.064) 1.643 14.619 ( 0.751 0.274 -0.471) 0.928 14.660 ( 0.544 0.965 0.524) 1.226 15.521 ( 1.568 -0.989 0.761) 2.004 15.754 ( 0.684 0.730 4.591) 4.699 15.770 ( 3.827 0.985 -6.365) 7.492 15.970 ( 1.116 -0.049 0.792) 1.369 16.628 ( 2.822 6.535 -0.480) 7.134 16.743 ( 3.420 3.256 0.033) 4.722 16.830 ( 3.948 -4.939 0.424) 6.337 17.014 ( 0.218 -7.158 0.020) 7.162 ======================= Grid point 32 (22/70) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 1.241 -0.051 -0.561) 1.363 0.893 ( 0.725 -4.783 0.059) 4.838 1.010 ( 3.716 -2.572 1.788) 4.860 1.041 ( 2.597 0.364 2.869) 3.887 1.131 ( -0.146 0.903 -5.031) 5.114 1.139 ( -0.921 -2.145 -2.218) 3.220 1.297 ( 1.248 -3.078 0.081) 3.322 1.305 ( 1.388 -2.555 1.687) 3.362 1.349 ( 2.135 -1.583 -0.590) 2.722 1.436 ( 1.237 -2.516 1.743) 3.301 1.515 ( -3.788 -3.917 -0.273) 5.456 1.523 ( 0.392 0.012 -0.104) 0.406 1.607 ( 0.463 -0.934 0.366) 1.105 1.670 ( 1.282 0.127 -1.056) 1.666 1.682 ( 0.457 2.001 0.116) 2.056 1.727 ( -1.415 1.861 0.457) 2.382 1.780 ( -0.243 4.325 0.454) 4.355 1.878 ( 2.873 0.441 -3.182) 4.310 1.906 ( -1.156 2.604 1.958) 3.458 2.121 ( -0.047 -2.386 1.770) 2.971 2.157 ( 0.341 -1.779 -0.912) 2.028 2.265 ( 0.133 -3.804 -0.358) 3.824 2.351 ( 1.200 -0.831 0.036) 1.460 2.442 ( 1.055 -1.481 0.213) 1.831 3.423 ( 1.496 1.644 1.411) 2.633 3.462 ( -0.320 3.901 -4.467) 5.939 3.635 ( -0.489 -0.330 0.537) 0.798 3.793 ( 4.621 -1.167 5.976) 7.644 4.019 ( -1.170 3.054 -4.888) 5.881 4.226 ( 1.404 1.575 1.049) 2.356 4.459 ( 0.567 0.860 -1.217) 1.595 4.574 ( 6.810 4.262 3.091) 8.608 4.653 ( 4.104 2.226 0.912) 4.757 4.709 ( -1.437 4.169 -2.458) 5.049 4.897 ( -3.749 3.395 0.137) 5.060 4.916 ( -1.622 1.672 0.408) 2.365 5.086 ( 1.251 1.783 -0.322) 2.201 5.343 ( 0.938 -0.570 0.416) 1.173 5.655 ( 2.469 -0.910 0.463) 2.672 5.680 ( -0.043 -2.171 -0.572) 2.245 5.706 ( -0.597 -1.852 0.096) 1.949 5.858 ( -1.340 -3.796 -0.893) 4.124 5.911 ( 1.692 1.952 -0.807) 2.706 6.048 ( 1.771 2.561 -0.413) 3.141 6.088 ( 0.212 0.177 1.292) 1.322 6.175 ( -0.901 -0.549 0.742) 1.290 6.353 ( -1.070 0.865 -0.635) 1.516 6.390 ( 1.427 -0.861 0.519) 1.745 6.916 ( -2.611 -1.835 -1.159) 3.396 6.978 ( -1.673 -3.198 0.560) 3.653 7.184 ( 1.001 -1.519 1.017) 2.084 7.305 ( 0.192 0.177 -1.735) 1.755 7.324 ( 0.351 -0.898 0.933) 1.341 7.475 ( 0.768 2.396 -0.375) 2.544 7.712 ( -0.429 -0.457 0.630) 0.889 7.727 ( 0.134 0.075 0.079) 0.172 8.093 ( -1.296 0.490 -1.375) 1.951 8.113 ( 0.494 -1.811 1.472) 2.386 8.171 ( -1.546 0.335 0.471) 1.650 8.190 ( -2.923 0.046 -0.748) 3.017 8.344 ( -0.457 1.439 -0.870) 1.742 8.469 ( 0.081 0.225 0.789) 0.824 10.943 ( -0.382 -0.528 0.106) 0.660 11.063 ( -0.198 0.543 -0.090) 0.585 11.493 ( -0.162 1.104 -0.170) 1.128 11.580 ( -0.139 0.543 0.149) 0.580 12.907 ( 0.017 2.778 0.178) 2.784 12.940 ( -0.226 1.779 -0.172) 1.801 14.615 ( 0.295 0.856 0.029) 0.905 14.645 ( 0.252 1.078 -0.038) 1.108 15.558 ( 0.834 -1.565 0.312) 1.801 15.749 ( -0.099 1.926 3.945) 4.391 15.760 ( 2.189 1.771 -4.687) 5.468 15.963 ( 0.215 2.115 0.384) 2.161 16.545 ( 1.363 5.274 -0.092) 5.449 16.722 ( 1.404 2.199 0.075) 2.610 16.950 ( 2.791 -4.479 0.017) 5.277 17.124 ( -1.132 -6.141 0.025) 6.244 ======================= Grid point 33 (23/70) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.000 -0.317 -0.000) 0.317 0.978 ( -0.000 -2.781 -0.000) 2.781 1.013 ( 0.000 1.529 0.000) 1.529 1.081 ( -0.000 -0.830 -0.000) 0.830 1.119 ( 0.000 1.408 0.000) 1.408 1.159 ( -0.000 -3.633 -0.000) 3.633 1.321 ( -0.000 -0.060 -0.000) 0.060 1.356 ( -0.000 -2.438 -0.000) 2.438 1.436 ( -0.000 -5.005 -0.000) 5.005 1.481 ( -0.000 -1.031 -0.000) 1.031 1.515 ( 0.000 0.096 0.000) 0.096 1.574 ( -0.000 -3.527 -0.000) 3.527 1.612 ( 0.000 0.901 0.000) 0.901 1.619 ( 0.000 4.847 0.000) 4.847 1.665 ( 0.000 1.461 0.000) 1.461 1.692 ( 0.000 4.717 0.000) 4.717 1.699 ( -0.000 -0.500 -0.000) 0.500 1.834 ( 0.000 3.828 0.000) 3.828 1.899 ( 0.000 0.012 0.000) 0.012 2.171 ( -0.000 -2.483 -0.000) 2.483 2.196 ( -0.000 -2.358 -0.000) 2.358 2.328 ( -0.000 -2.947 -0.000) 2.947 2.382 ( -0.000 -2.093 -0.000) 2.093 2.471 ( -0.000 -1.262 -0.000) 1.262 3.372 ( 0.000 2.486 0.000) 2.486 3.449 ( -0.000 -0.395 -0.000) 0.395 3.629 ( 0.000 0.452 0.000) 0.452 3.836 ( 0.000 1.796 0.000) 1.796 3.948 ( 0.000 2.555 0.000) 2.555 4.166 ( 0.000 5.062 0.000) 5.062 4.460 ( 0.000 0.126 0.000) 0.126 4.556 ( 0.000 3.547 0.000) 3.547 4.576 ( 0.000 7.305 0.000) 7.305 4.640 ( 0.000 2.253 0.000) 2.253 4.813 ( 0.000 2.555 0.000) 2.555 4.893 ( 0.000 1.323 0.000) 1.323 5.075 ( -0.000 -0.296 -0.000) 0.296 5.349 ( 0.000 0.224 0.000) 0.224 5.665 ( 0.000 0.506 0.000) 0.506 5.711 ( -0.000 -1.269 -0.000) 1.269 5.761 ( -0.000 -3.658 -0.000) 3.658 5.883 ( 0.000 0.888 0.000) 0.888 5.889 ( 0.000 1.867 0.000) 1.867 5.998 ( 0.000 2.611 0.000) 2.611 6.062 ( 0.000 2.348 0.000) 2.348 6.177 ( -0.000 -0.108 -0.000) 0.108 6.333 ( 0.000 0.455 0.000) 0.455 6.418 ( -0.000 -0.807 -0.000) 0.807 6.937 ( -0.000 -2.255 -0.000) 2.255 7.027 ( -0.000 -3.055 -0.000) 3.055 7.250 ( -0.000 -4.690 -0.000) 4.690 7.304 ( -0.000 -0.142 -0.000) 0.142 7.336 ( 0.000 0.521 0.000) 0.521 7.422 ( 0.000 3.869 0.000) 3.869 7.709 ( 0.000 0.566 0.000) 0.566 7.730 ( -0.000 -0.763 -0.000) 0.763 8.084 ( -0.000 -0.804 -0.000) 0.804 8.136 ( -0.000 -0.342 -0.000) 0.342 8.150 ( 0.000 0.215 0.000) 0.215 8.223 ( -0.000 -4.239 -0.000) 4.239 8.320 ( 0.000 0.796 0.000) 0.796 8.462 ( 0.000 0.783 0.000) 0.783 10.954 ( -0.000 -0.892 -0.000) 0.892 11.051 ( 0.000 0.541 0.000) 0.541 11.477 ( 0.000 0.514 0.000) 0.514 11.566 ( 0.000 0.937 0.000) 0.937 12.858 ( 0.000 2.751 0.000) 2.751 12.909 ( 0.000 1.597 0.000) 1.597 14.594 ( 0.000 1.626 0.000) 1.626 14.635 ( 0.000 0.297 0.000) 0.297 15.591 ( -0.000 -1.665 -0.000) 1.665 15.711 ( 0.000 3.116 0.000) 3.116 15.726 ( 0.000 2.303 0.000) 2.303 15.901 ( 0.000 5.031 0.000) 5.031 16.475 ( 0.000 3.639 0.000) 3.639 16.695 ( 0.000 1.848 0.000) 1.848 17.030 ( -0.000 -2.618 -0.000) 2.618 17.210 ( -0.000 -4.574 -0.000) 4.574 ======================= Grid point 40 (24/70) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.224 0.000 -0.487) 1.317 0.809 ( 0.800 0.000 0.683) 1.052 0.955 ( 1.861 0.000 -0.408) 1.905 0.997 ( 2.957 0.000 -1.328) 3.241 1.109 ( 3.642 0.000 2.694) 4.530 1.204 ( 3.221 0.000 -2.204) 3.903 1.207 ( -2.058 -0.000 -3.672) 4.209 1.249 ( 0.999 0.000 3.981) 4.104 1.321 ( 3.469 0.000 -0.137) 3.472 1.358 ( -1.336 -0.000 -0.488) 1.423 1.482 ( -1.194 -0.000 -0.247) 1.220 1.489 ( -2.753 -0.000 0.943) 2.910 1.585 ( 1.351 0.000 0.818) 1.580 1.659 ( 2.637 0.000 -0.987) 2.815 1.709 ( -1.687 -0.000 -0.193) 1.698 1.761 ( 2.205 0.000 -0.059) 2.206 1.852 ( 0.044 0.000 0.637) 0.638 1.873 ( 0.888 0.000 -0.291) 0.935 1.980 ( -0.342 -0.000 0.064) 0.347 2.080 ( -0.294 -0.000 -0.050) 0.298 2.126 ( -0.464 -0.000 0.351) 0.582 2.188 ( -0.846 -0.000 -0.587) 1.029 2.358 ( 1.345 0.000 0.015) 1.345 2.400 ( 2.036 0.000 0.035) 2.036 3.448 ( 0.816 0.000 3.119) 3.223 3.606 ( -0.416 -0.000 5.086) 5.103 3.635 ( 1.240 0.000 -6.721) 6.834 3.713 ( 0.788 0.000 -1.560) 1.748 4.117 ( 2.306 0.000 0.037) 2.307 4.186 ( 0.296 0.000 0.236) 0.378 4.516 ( 3.180 0.000 -1.921) 3.715 4.624 ( 2.947 0.000 0.535) 2.995 4.697 ( 8.881 0.000 1.271) 8.971 4.807 ( 0.878 0.000 -0.509) 1.015 4.969 ( -2.845 -0.000 0.654) 2.919 5.004 ( -4.082 -0.000 0.050) 4.082 5.151 ( 3.070 0.000 -0.336) 3.088 5.312 ( 1.756 0.000 2.121) 2.754 5.595 ( -0.983 -0.000 -1.941) 2.176 5.632 ( 4.809 0.000 0.843) 4.883 5.673 ( -2.028 -0.000 -0.924) 2.229 5.748 ( -4.183 -0.000 0.749) 4.250 5.974 ( 0.841 0.000 -0.597) 1.031 6.061 ( 1.347 0.000 -0.897) 1.618 6.106 ( 4.933 0.000 1.640) 5.198 6.139 ( 1.558 0.000 -1.264) 2.006 6.365 ( -2.241 -0.000 -0.535) 2.303 6.379 ( -0.448 -0.000 1.280) 1.357 6.874 ( -3.281 -0.000 -0.238) 3.290 6.915 ( -1.988 -0.000 0.323) 2.014 7.190 ( -0.464 -0.000 0.204) 0.507 7.297 ( -1.143 -0.000 2.732) 2.961 7.305 ( 0.029 0.000 -3.016) 3.016 7.517 ( 1.317 0.000 0.257) 1.342 7.697 ( -0.902 -0.000 -1.249) 1.541 7.735 ( 2.537 0.000 1.089) 2.761 8.057 ( 0.638 0.000 1.998) 2.098 8.114 ( -2.671 -0.000 -2.040) 3.361 8.183 ( -2.067 -0.000 1.039) 2.313 8.210 ( -2.948 -0.000 -1.386) 3.258 8.376 ( -0.443 -0.000 -1.013) 1.106 8.470 ( 0.099 0.000 1.272) 1.276 10.936 ( -0.468 -0.000 -0.006) 0.468 11.072 ( -0.225 -0.000 -0.067) 0.235 11.522 ( 0.049 0.000 0.338) 0.341 11.584 ( -0.399 -0.000 -0.266) 0.479 12.965 ( -0.279 -0.000 0.804) 0.851 12.975 ( -0.277 -0.000 -0.808) 0.854 14.626 ( 0.419 0.000 -0.314) 0.523 14.675 ( 0.236 0.000 0.359) 0.430 15.527 ( 0.909 0.000 0.367) 0.980 15.779 ( 0.157 0.000 3.769) 3.772 15.792 ( 2.220 0.000 -4.654) 5.157 15.982 ( 0.795 0.000 0.395) 0.888 16.747 ( 1.692 0.000 -2.146) 2.732 16.775 ( 1.989 0.000 1.360) 2.409 16.817 ( 1.074 0.000 0.861) 1.376 16.944 ( 0.967 0.000 -0.035) 0.967 ======================= Grid point 41 (25/70) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.000 -1.136 -0.000) 1.136 0.827 ( -0.000 -2.940 -0.000) 2.940 1.012 ( -0.000 -4.834 -0.000) 4.834 1.012 ( -0.000 -0.478 -0.000) 0.478 1.132 ( 0.000 3.223 0.000) 3.223 1.141 ( 0.000 0.434 0.000) 0.434 1.254 ( -0.000 -2.474 -0.000) 2.474 1.285 ( -0.000 -1.906 -0.000) 1.906 1.340 ( -0.000 -0.679 -0.000) 0.679 1.387 ( -0.000 -3.496 -0.000) 3.496 1.452 ( -0.000 -0.128 -0.000) 0.128 1.510 ( -0.000 -1.565 -0.000) 1.565 1.599 ( -0.000 -0.569 -0.000) 0.569 1.679 ( -0.000 -0.337 -0.000) 0.337 1.691 ( 0.000 0.418 0.000) 0.418 1.759 ( 0.000 1.566 0.000) 1.566 1.839 ( 0.000 2.073 0.000) 2.073 1.880 ( -0.000 -0.624 -0.000) 0.624 1.953 ( 0.000 2.602 0.000) 2.602 2.088 ( -0.000 -1.251 -0.000) 1.251 2.132 ( -0.000 -0.959 -0.000) 0.959 2.206 ( -0.000 -2.585 -0.000) 2.585 2.357 ( 0.000 0.529 0.000) 0.529 2.425 ( -0.000 -1.264 -0.000) 1.264 3.449 ( 0.000 0.750 0.000) 0.750 3.552 ( 0.000 6.335 0.000) 6.335 3.621 ( -0.000 -0.920 -0.000) 0.920 3.775 ( -0.000 -4.204 -0.000) 4.204 4.071 ( 0.000 4.390 0.000) 4.390 4.229 ( -0.000 -2.325 -0.000) 2.325 4.500 ( 0.000 2.842 0.000) 2.842 4.647 ( -0.000 -0.592 -0.000) 0.592 4.733 ( 0.000 3.802 0.000) 3.802 4.769 ( 0.000 3.041 0.000) 3.041 4.922 ( 0.000 2.165 0.000) 2.165 4.953 ( 0.000 3.202 0.000) 3.202 5.138 ( 0.000 2.734 0.000) 2.734 5.337 ( -0.000 -0.979 -0.000) 0.979 5.618 ( -0.000 -3.213 -0.000) 3.213 5.666 ( -0.000 -0.653 -0.000) 0.653 5.681 ( -0.000 -0.479 -0.000) 0.479 5.760 ( -0.000 -4.952 -0.000) 4.952 5.955 ( 0.000 2.023 0.000) 2.023 6.082 ( -0.000 -1.139 -0.000) 1.139 6.110 ( 0.000 2.347 0.000) 2.347 6.162 ( -0.000 -0.895 -0.000) 0.895 6.351 ( 0.000 0.050 0.000) 0.050 6.382 ( -0.000 -0.612 -0.000) 0.612 6.869 ( -0.000 -1.429 -0.000) 1.429 6.921 ( -0.000 -1.970 -0.000) 1.970 7.182 ( 0.000 0.374 0.000) 0.374 7.301 ( -0.000 -0.161 -0.000) 0.161 7.306 ( -0.000 -1.092 -0.000) 1.092 7.513 ( 0.000 1.337 0.000) 1.337 7.696 ( -0.000 -0.692 -0.000) 0.692 7.745 ( 0.000 0.746 0.000) 0.746 8.083 ( -0.000 -1.968 -0.000) 1.968 8.090 ( 0.000 0.508 0.000) 0.508 8.170 ( 0.000 0.354 0.000) 0.354 8.182 ( 0.000 0.900 0.000) 0.900 8.363 ( 0.000 1.054 0.000) 1.054 8.473 ( -0.000 -0.027 -0.000) 0.027 10.935 ( -0.000 -0.217 -0.000) 0.217 11.068 ( 0.000 0.274 0.000) 0.274 11.513 ( 0.000 1.073 0.000) 1.073 11.583 ( -0.000 -0.006 -0.000) 0.006 12.948 ( 0.000 1.812 0.000) 1.812 12.964 ( 0.000 1.011 0.000) 1.011 14.626 ( 0.000 0.260 0.000) 0.260 14.667 ( 0.000 1.046 0.000) 1.046 15.541 ( -0.000 -0.939 -0.000) 0.939 15.779 ( 0.000 0.863 0.000) 0.863 15.787 ( 0.000 0.927 0.000) 0.927 15.985 ( 0.000 0.381 0.000) 0.381 16.656 ( 0.000 6.431 0.000) 6.431 16.780 ( 0.000 3.378 0.000) 3.378 16.877 ( -0.000 -5.604 -0.000) 5.604 17.014 ( -0.000 -5.733 -0.000) 5.733 ======================= Grid point 83 (26/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -5.313 -0.000 15.282) 16.179 0.371 ( 2.574 0.000 15.692) 15.902 0.670 ( -1.876 -0.000 -5.218) 5.545 0.689 ( -1.281 -0.000 -10.141) 10.221 0.721 ( -4.531 -0.000 20.470) 20.965 0.901 ( 0.822 0.000 -0.737) 1.104 0.924 ( -0.971 -0.000 2.173) 2.380 1.098 ( 13.185 0.000 -7.195) 15.021 1.166 ( 1.695 0.000 4.164) 4.495 1.270 ( -4.914 -0.000 -3.002) 5.759 1.373 ( -5.124 -0.000 3.486) 6.197 1.427 ( 3.144 0.000 -1.433) 3.455 1.494 ( 1.759 0.000 -0.987) 2.017 1.500 ( -2.820 -0.000 -1.625) 3.255 1.587 ( -4.193 -0.000 1.632) 4.500 1.637 ( 4.415 0.000 -2.712) 5.182 1.703 ( 3.532 0.000 -0.343) 3.549 1.708 ( -1.162 -0.000 -0.458) 1.249 1.877 ( -3.936 -0.000 4.661) 6.101 1.955 ( 1.810 0.000 3.968) 4.361 1.993 ( -0.160 -0.000 -3.695) 3.699 2.135 ( 0.686 0.000 -8.446) 8.474 2.203 ( -0.435 -0.000 3.940) 3.964 2.283 ( -0.750 -0.000 -3.776) 3.849 3.447 ( 1.724 0.000 1.748) 2.455 3.497 ( -3.042 -0.000 -3.107) 4.348 3.627 ( -3.864 -0.000 3.707) 5.355 3.669 ( 3.030 0.000 3.029) 4.285 3.737 ( 3.044 0.000 -5.763) 6.517 3.745 ( -2.498 -0.000 -4.133) 4.830 3.991 ( -0.657 -0.000 3.082) 3.151 4.053 ( -0.509 -0.000 -2.581) 2.631 4.367 ( 0.496 0.000 6.871) 6.888 4.476 ( -1.931 -0.000 -2.579) 3.222 4.846 ( -0.905 -0.000 2.151) 2.333 4.926 ( 1.743 0.000 -4.194) 4.542 5.266 ( -3.083 -0.000 5.877) 6.637 5.331 ( 1.191 0.000 0.189) 1.206 5.690 ( 0.138 0.000 -1.945) 1.950 5.709 ( 2.104 0.000 -2.666) 3.396 5.801 ( 1.086 0.000 -0.909) 1.417 5.819 ( -1.317 -0.000 -3.128) 3.394 5.903 ( 1.432 0.000 4.218) 4.455 5.945 ( -2.207 -0.000 -0.433) 2.250 5.963 ( 0.862 0.000 0.948) 1.281 6.003 ( -0.516 -0.000 -1.332) 1.429 6.345 ( 1.123 0.000 1.600) 1.954 6.363 ( -1.375 -0.000 0.173) 1.386 7.136 ( -1.326 -0.000 0.304) 1.360 7.146 ( 1.770 0.000 -0.547) 1.853 7.199 ( 3.759 0.000 1.179) 3.940 7.220 ( -0.803 -0.000 -0.434) 0.913 7.331 ( -2.679 -0.000 1.033) 2.871 7.371 ( 1.564 0.000 -2.291) 2.774 7.813 ( 2.789 0.000 -0.023) 2.790 7.820 ( -1.676 -0.000 -0.697) 1.815 8.311 ( 0.157 0.000 1.769) 1.776 8.316 ( 1.461 0.000 4.850) 5.066 8.356 ( -0.444 -0.000 -1.694) 1.751 8.429 ( -1.697 -0.000 -4.543) 4.849 8.508 ( 2.692 0.000 0.614) 2.762 8.516 ( -5.971 -0.000 -0.007) 5.971 11.031 ( -0.771 -0.000 1.189) 1.417 11.062 ( 0.885 0.000 -1.465) 1.712 11.543 ( -0.774 -0.000 1.963) 2.110 11.587 ( 0.612 0.000 -1.678) 1.786 13.028 ( 14.439 0.000 0.488) 14.447 13.039 ( -4.444 -0.000 -0.455) 4.467 14.551 ( 0.989 0.000 0.444) 1.084 14.562 ( -0.983 -0.000 -0.440) 1.077 15.555 ( 4.069 0.000 0.902) 4.167 15.580 ( -12.537 -0.000 -1.300) 12.604 15.624 ( -15.733 -0.000 0.522) 15.741 15.631 ( 5.310 0.000 -0.158) 5.312 16.305 ( 2.022 0.000 1.717) 2.653 16.355 ( -6.108 -0.000 -2.720) 6.686 16.535 ( -2.166 -0.000 3.307) 3.953 16.599 ( 1.101 0.000 -2.282) 2.534 ======================= Grid point 84 (27/70) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 1.021 -10.383 10.926) 15.107 0.602 ( 1.504 -11.177 4.958) 12.320 0.713 ( 5.503 -3.116 -4.036) 7.502 0.760 ( 0.865 -8.484 -4.635) 9.706 0.911 ( 1.598 -14.256 8.891) 16.877 0.927 ( 1.533 -3.172 0.928) 3.643 0.948 ( 1.217 -3.963 -1.106) 4.291 1.177 ( 2.656 0.636 1.836) 3.291 1.237 ( -0.425 -1.224 -1.832) 2.244 1.291 ( 8.421 -6.841 -5.256) 12.056 1.330 ( -3.639 -0.241 2.329) 4.327 1.434 ( 2.709 -1.740 0.786) 3.314 1.509 ( -3.748 -2.609 -2.116) 5.033 1.544 ( -0.968 -3.235 1.093) 3.550 1.573 ( 0.531 -1.533 0.791) 1.805 1.671 ( 1.868 -0.704 -1.329) 2.398 1.720 ( 1.434 -0.909 -1.468) 2.244 1.768 ( 5.359 -1.360 -1.211) 5.660 1.861 ( -3.262 -0.769 4.537) 5.641 1.995 ( 0.164 -1.936 0.327) 1.970 2.009 ( 2.369 -1.419 0.971) 2.927 2.136 ( 1.846 -2.360 -7.267) 7.861 2.213 ( 0.261 0.115 4.177) 4.187 2.259 ( -0.820 0.467 -3.330) 3.461 3.461 ( -2.816 0.980 -2.842) 4.119 3.489 ( 5.023 -0.987 2.813) 5.841 3.560 ( -3.929 -0.053 4.951) 6.321 3.639 ( 0.233 5.311 -3.743) 6.502 3.713 ( 0.814 -0.783 0.542) 1.253 3.834 ( 5.614 -2.338 -2.865) 6.722 4.059 ( 4.225 -3.688 2.673) 6.213 4.094 ( 3.949 -3.150 -1.809) 5.366 4.418 ( 2.870 -1.294 6.417) 7.148 4.449 ( -2.199 -0.455 -3.724) 4.348 4.838 ( 0.318 1.098 1.909) 2.225 4.914 ( 2.570 2.336 -4.045) 5.331 5.237 ( -4.038 0.943 3.806) 5.628 5.335 ( 1.149 0.778 0.344) 1.430 5.648 ( -1.878 1.077 1.238) 2.494 5.753 ( 0.022 1.594 -5.258) 5.494 5.800 ( 0.386 -0.972 0.413) 1.124 5.809 ( 1.072 -2.513 -0.419) 2.764 5.896 ( -2.078 2.337 1.191) 3.346 5.938 ( 1.062 -0.100 -0.731) 1.293 5.990 ( 2.068 -1.391 2.437) 3.486 5.996 ( -0.968 -0.539 -2.608) 2.834 6.358 ( -0.868 -0.810 0.478) 1.280 6.374 ( 0.746 -1.150 0.993) 1.693 7.131 ( 0.275 0.042 -0.167) 0.324 7.165 ( 1.642 0.244 -0.052) 1.661 7.197 ( -0.913 0.811 -0.967) 1.558 7.213 ( 0.223 0.872 0.706) 1.144 7.308 ( -1.895 -0.154 1.798) 2.617 7.380 ( 0.719 -0.289 -1.942) 2.091 7.788 ( -2.351 0.622 -0.638) 2.514 7.807 ( 0.068 1.668 0.726) 1.821 8.288 ( -2.622 1.633 1.743) 3.547 8.328 ( -1.161 1.292 -2.022) 2.666 8.345 ( 0.950 0.254 4.469) 4.576 8.390 ( -0.799 0.775 -3.562) 3.732 8.460 ( -2.661 1.067 0.610) 2.931 8.518 ( 1.347 1.656 1.043) 2.376 11.022 ( -1.070 0.288 1.294) 1.703 11.063 ( 0.582 0.238 -1.540) 1.663 11.538 ( -0.608 0.526 1.728) 1.906 11.581 ( 0.835 0.898 -1.431) 1.884 12.968 ( -2.375 2.401 -3.203) 4.655 13.027 ( 4.470 8.268 2.459) 9.716 14.564 ( 0.457 -0.293 -0.066) 0.547 14.569 ( 1.003 -0.368 -0.080) 1.071 15.389 ( -5.458 -1.510 3.034) 6.424 15.543 ( -2.052 0.438 1.670) 2.682 15.631 ( 1.816 -0.667 0.200) 1.945 15.746 ( 10.726 1.263 0.336) 10.805 16.276 ( 2.115 2.073 2.840) 4.103 16.392 ( 5.020 -1.032 -5.453) 7.483 16.652 ( -3.103 -11.497 5.599) 13.160 16.833 ( 4.952 -15.261 -5.623) 17.001 ======================= Grid point 85 (28/70) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.113 -2.479 2.081) 3.238 0.765 ( 0.783 -9.692 1.070) 9.783 0.831 ( 1.682 -3.518 0.899) 4.001 0.906 ( -0.709 -9.252 -0.892) 9.322 0.964 ( -0.119 -3.125 -2.802) 4.198 0.985 ( 0.316 -2.853 2.836) 4.035 1.171 ( 3.956 -1.220 -5.229) 6.670 1.238 ( 2.147 -5.258 -2.232) 6.103 1.284 ( -3.181 -2.869 2.041) 4.745 1.373 ( 2.758 -8.479 -0.470) 8.929 1.429 ( 1.469 -3.339 3.948) 5.376 1.509 ( -2.101 -2.305 -0.981) 3.270 1.553 ( 5.030 -2.215 0.188) 5.499 1.584 ( -0.765 -2.538 1.204) 2.911 1.636 ( 1.917 -2.611 0.507) 3.278 1.698 ( 1.067 -0.361 0.307) 1.167 1.740 ( 1.591 -0.520 -1.857) 2.500 1.822 ( 4.348 0.352 -2.234) 4.901 1.877 ( -2.056 -3.228 3.936) 5.490 2.028 ( 2.924 -0.490 -3.299) 4.436 2.078 ( -0.907 -5.320 1.572) 5.621 2.228 ( 2.268 -4.897 -0.923) 5.475 2.241 ( -0.523 -2.170 -2.321) 3.220 2.246 ( 1.979 -2.422 2.907) 4.270 3.394 ( -2.762 1.772 -2.626) 4.203 3.493 ( -2.287 4.214 -4.465) 6.551 3.574 ( 0.337 -2.504 4.907) 5.519 3.664 ( 4.411 -4.826 6.943) 9.537 3.737 ( 3.721 0.188 -1.054) 3.872 3.903 ( 5.222 -0.833 -2.553) 5.872 4.167 ( 4.078 -2.045 -0.649) 4.608 4.221 ( 6.062 -4.368 1.610) 7.644 4.428 ( -0.863 -1.471 -6.016) 6.253 4.511 ( 4.413 -2.513 5.470) 7.464 4.836 ( 2.021 0.928 1.318) 2.585 4.883 ( 3.439 2.942 -3.430) 5.679 5.185 ( -4.046 0.748 1.379) 4.340 5.328 ( 0.970 1.236 -1.059) 1.895 5.635 ( -3.121 -1.381 1.994) 3.952 5.708 ( -0.442 0.875 0.885) 1.320 5.784 ( -0.156 1.403 2.136) 2.560 5.831 ( -1.718 2.583 2.166) 3.783 5.893 ( 1.195 -1.376 -3.026) 3.532 5.940 ( 0.944 -1.495 -3.914) 4.295 5.995 ( 1.999 -0.945 -1.945) 2.945 6.060 ( 3.153 -1.849 1.990) 4.161 6.361 ( -1.391 -0.434 -0.250) 1.478 6.403 ( 0.110 -0.869 1.382) 1.637 7.128 ( -0.948 0.390 -2.647) 2.839 7.154 ( -1.025 0.040 1.539) 1.849 7.179 ( -0.019 1.637 -0.643) 1.759 7.204 ( 0.095 -0.145 0.396) 0.432 7.312 ( -0.609 -0.842 2.224) 2.455 7.379 ( 0.414 0.262 -1.886) 1.948 7.758 ( -1.394 0.215 -0.849) 1.647 7.780 ( -0.313 1.393 1.656) 2.186 8.229 ( -2.854 2.134 0.864) 3.667 8.273 ( -1.978 2.378 -1.730) 3.544 8.338 ( -1.169 1.086 0.504) 1.673 8.371 ( 0.442 0.967 -0.707) 1.277 8.415 ( -2.241 1.726 1.307) 3.117 8.490 ( 0.303 2.550 0.249) 2.580 11.011 ( -0.984 0.245 1.719) 1.996 11.056 ( 0.361 0.571 -1.856) 1.975 11.523 ( -0.582 0.934 0.988) 1.479 11.567 ( 0.890 1.209 -0.764) 1.684 12.902 ( -0.147 2.712 -2.558) 3.731 12.945 ( 1.299 4.954 2.420) 5.665 14.573 ( 0.237 -0.535 -0.617) 0.850 14.584 ( 1.230 0.115 0.679) 1.410 15.441 ( 2.228 -4.090 -1.382) 4.858 15.535 ( -1.138 -0.800 2.328) 2.712 15.662 ( 2.329 -0.025 0.151) 2.334 15.799 ( 8.267 3.401 -0.005) 8.940 16.310 ( 2.209 -1.685 3.688) 4.617 16.448 ( 4.956 -1.806 -6.250) 8.179 16.816 ( -3.912 -9.564 3.154) 10.804 17.089 ( 4.504 -9.377 -0.890) 10.441 ======================= Grid point 86 (29/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -1.090 0.724 1.102) 1.711 0.862 ( -1.404 -1.664 -0.271) 2.194 0.907 ( 0.169 -5.135 -0.498) 5.162 0.994 ( 0.329 -2.017 -1.506) 2.539 1.031 ( -0.858 -4.462 2.497) 5.184 1.103 ( 1.111 -9.267 -2.020) 9.550 1.217 ( 3.907 -1.146 -1.617) 4.381 1.280 ( -2.645 -1.953 -2.177) 3.943 1.350 ( 1.639 -4.837 -0.502) 5.132 1.454 ( 0.262 1.346 0.985) 1.688 1.484 ( 0.651 -2.396 -0.610) 2.556 1.541 ( -0.542 -0.142 2.480) 2.542 1.581 ( -0.005 0.243 0.206) 0.318 1.615 ( 2.222 0.317 -0.411) 2.282 1.665 ( -0.973 1.884 1.046) 2.364 1.688 ( 0.491 -0.808 0.660) 1.153 1.755 ( 1.114 0.844 -1.324) 1.925 1.838 ( 2.234 1.551 0.159) 2.724 1.936 ( -2.585 -4.056 -2.381) 5.366 2.065 ( 3.844 -0.376 1.884) 4.297 2.167 ( -1.315 -5.322 0.331) 5.492 2.277 ( 0.925 -2.529 0.699) 2.782 2.317 ( 0.214 -5.807 0.111) 5.812 2.395 ( 2.729 -6.426 0.733) 7.020 3.327 ( -2.375 1.613 -2.439) 3.767 3.411 ( -1.649 0.580 -2.840) 3.335 3.644 ( 0.506 -2.844 2.642) 3.915 3.717 ( -0.040 1.947 0.972) 2.177 3.814 ( 3.617 -0.715 3.263) 4.924 4.013 ( 7.940 -5.431 -1.081) 9.681 4.207 ( 2.424 0.430 -0.182) 2.468 4.322 ( 1.733 -0.850 1.097) 2.221 4.459 ( 3.410 -3.254 -5.100) 6.945 4.618 ( 2.899 -2.589 4.570) 6.000 4.856 ( 2.877 0.500 0.079) 2.921 4.881 ( 5.005 0.774 -1.483) 5.278 5.147 ( -3.281 -0.642 0.000) 3.343 5.306 ( -0.055 1.226 -2.316) 2.621 5.621 ( -2.389 -0.348 -0.435) 2.453 5.709 ( -1.037 1.114 0.730) 1.688 5.778 ( -1.692 -1.842 8.361) 8.727 5.806 ( 0.809 0.811 0.096) 1.149 5.887 ( 0.545 0.152 -2.846) 2.902 5.960 ( 1.349 -1.351 -3.671) 4.138 6.077 ( 5.589 -2.508 0.884) 6.189 6.116 ( 3.276 -0.348 -1.162) 3.493 6.335 ( -2.351 1.039 -0.401) 2.602 6.409 ( -1.254 0.107 1.430) 1.905 7.088 ( -2.094 0.631 -2.548) 3.358 7.131 ( -1.960 1.743 -0.751) 2.728 7.167 ( -0.189 -1.111 0.225) 1.149 7.212 ( 0.351 -0.089 -0.142) 0.389 7.329 ( -1.217 -1.186 2.648) 3.146 7.375 ( 1.499 0.555 -1.073) 1.925 7.744 ( 0.086 0.112 -1.165) 1.174 7.778 ( 0.645 -0.185 2.282) 2.378 8.169 ( -2.005 1.695 -0.076) 2.626 8.202 ( -1.879 2.620 -1.071) 3.397 8.304 ( -1.985 1.602 1.313) 2.869 8.334 ( -0.851 2.545 0.363) 2.708 8.368 ( -1.974 1.215 -0.278) 2.335 8.453 ( 0.415 1.738 -0.445) 1.841 11.004 ( -0.801 0.210 1.883) 2.057 11.041 ( 0.244 0.662 -1.944) 2.068 11.504 ( -0.501 0.711 0.269) 0.910 11.554 ( 0.763 1.070 -0.123) 1.319 12.852 ( 0.066 2.375 -0.500) 2.428 12.899 ( 0.872 2.314 0.401) 2.505 14.584 ( 0.498 -0.585 -0.711) 1.047 14.592 ( 0.572 0.375 0.729) 0.999 15.536 ( 2.206 -4.260 -2.075) 5.227 15.559 ( 0.134 -1.670 1.697) 2.384 15.672 ( 1.625 1.479 0.616) 2.282 15.815 ( 5.291 2.663 -0.071) 5.924 16.384 ( 1.469 -2.656 4.120) 5.117 16.513 ( 4.269 -2.151 -6.026) 7.692 16.923 ( -2.713 -5.795 1.903) 6.676 17.247 ( 2.390 -5.129 0.159) 5.661 ======================= Grid point 87 (30/70) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.347 0.907 0.659) 1.174 0.871 ( -0.176 -0.522 0.514) 0.754 0.963 ( -0.465 -1.965 -0.401) 2.058 1.011 ( -0.351 -0.166 -1.442) 1.493 1.092 ( -0.935 -2.587 1.837) 3.308 1.246 ( 2.627 -0.078 -4.767) 5.444 1.263 ( -0.003 -6.458 -0.106) 6.458 1.304 ( -0.759 -3.548 0.152) 3.632 1.401 ( 0.862 2.160 -0.495) 2.378 1.423 ( 1.289 2.689 0.198) 2.989 1.487 ( -0.828 0.578 0.129) 1.018 1.517 ( -1.536 -0.037 1.981) 2.506 1.591 ( -0.282 0.479 1.491) 1.591 1.608 ( 0.621 -0.089 -1.358) 1.496 1.644 ( 0.554 0.191 1.147) 1.288 1.702 ( 0.500 1.077 -0.997) 1.550 1.753 ( 0.609 -0.893 0.891) 1.401 1.819 ( 0.107 1.946 0.439) 1.998 1.939 ( -2.572 -1.591 -3.898) 4.933 2.112 ( 2.724 0.246 2.130) 3.467 2.237 ( -0.496 -3.269 1.863) 3.796 2.316 ( 0.674 -0.285 0.667) 0.990 2.405 ( -0.148 -3.417 -0.813) 3.515 2.487 ( 0.511 -1.702 0.691) 1.906 3.322 ( -1.042 -4.147 1.994) 4.718 3.402 ( -0.862 -1.251 -2.303) 2.759 3.608 ( -0.337 8.495 -6.447) 10.669 3.670 ( 0.237 0.798 0.186) 0.853 3.902 ( 1.451 -4.427 7.985) 9.244 4.145 ( 2.385 -2.343 -3.917) 5.150 4.220 ( 1.383 0.358 -0.020) 1.428 4.311 ( -0.517 1.578 0.581) 1.759 4.567 ( 5.558 -3.626 0.331) 6.645 4.659 ( -1.405 0.406 1.999) 2.477 4.871 ( 1.625 0.273 -0.443) 1.707 4.935 ( 3.105 -0.855 0.666) 3.289 5.141 ( -1.779 -1.819 -0.746) 2.651 5.270 ( -0.252 1.621 -2.866) 3.302 5.607 ( -1.307 -0.433 0.056) 1.378 5.671 ( -0.020 1.699 -0.657) 1.821 5.796 ( 0.014 1.102 1.657) 1.990 5.816 ( -2.135 -1.158 3.264) 4.069 5.912 ( 0.607 -2.626 1.651) 3.161 6.002 ( 1.689 -1.935 -1.945) 3.222 6.122 ( 3.275 2.179 -2.831) 4.847 6.169 ( 2.479 -1.035 -0.147) 2.690 6.298 ( -0.384 -0.081 1.389) 1.443 6.380 ( -2.586 1.208 0.377) 2.879 7.058 ( -0.951 -0.012 -2.156) 2.356 7.085 ( -1.736 0.753 -0.617) 1.990 7.184 ( -0.349 -0.914 -0.195) 0.998 7.206 ( 0.457 0.939 -0.771) 1.298 7.347 ( -1.034 -1.198 1.978) 2.533 7.382 ( 1.387 0.295 0.093) 1.421 7.750 ( 0.577 -0.349 -0.498) 0.838 7.797 ( 0.701 -0.076 1.420) 1.586 8.140 ( -0.787 0.083 0.032) 0.792 8.153 ( -0.365 0.595 0.145) 0.713 8.235 ( -2.166 3.136 -1.279) 4.021 8.303 ( 0.036 0.839 2.662) 2.791 8.343 ( -1.216 -0.471 -0.166) 1.315 8.432 ( 0.459 1.019 -1.547) 1.909 10.997 ( -0.513 0.414 1.542) 1.677 11.031 ( 0.306 0.019 -1.563) 1.593 11.494 ( -0.359 -0.148 -0.204) 0.438 11.545 ( 0.443 0.771 0.295) 0.937 12.821 ( -0.174 1.131 0.300) 1.183 12.882 ( 0.519 0.510 -0.373) 0.818 14.587 ( -0.392 0.594 1.113) 1.322 14.599 ( 0.766 -0.661 -1.157) 1.537 15.588 ( 0.078 -1.495 0.790) 1.692 15.618 ( 1.024 -2.775 -1.724) 3.423 15.648 ( 0.464 2.253 0.656) 2.392 15.819 ( 1.869 1.225 0.260) 2.250 16.441 ( -0.271 -1.201 4.271) 4.445 16.560 ( 2.832 -0.946 -5.807) 6.530 16.973 ( -1.455 -1.848 1.623) 2.858 17.324 ( 0.946 -1.817 0.054) 2.049 ======================= Grid point 88 (31/70) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 1.578 0.032 0.649) 1.707 0.880 ( 0.864 0.281 0.270) 0.947 0.959 ( -1.539 1.982 -0.473) 2.554 0.986 ( 0.380 2.012 -0.240) 2.062 1.097 ( -2.821 0.726 2.295) 3.708 1.227 ( 0.945 2.102 -3.757) 4.407 1.260 ( -0.309 6.137 0.100) 6.146 1.333 ( 1.523 2.906 -2.202) 3.951 1.389 ( -1.520 -2.439 0.263) 2.886 1.414 ( 0.808 -1.085 1.050) 1.712 1.484 ( 1.503 -0.029 0.510) 1.588 1.544 ( 0.822 -2.703 0.086) 2.826 1.575 ( -0.839 0.840 1.125) 1.636 1.609 ( -2.526 -1.096 0.038) 2.754 1.671 ( 0.405 -1.958 0.928) 2.204 1.681 ( -0.151 0.484 -1.322) 1.416 1.751 ( -0.250 2.626 0.973) 2.811 1.819 ( 0.562 -1.837 0.423) 1.967 1.928 ( -2.057 -1.135 -2.804) 3.659 2.123 ( 1.804 1.821 0.940) 2.730 2.262 ( 0.606 1.932 0.663) 2.130 2.308 ( -0.955 0.738 1.095) 1.630 2.414 ( -0.274 1.719 -1.536) 2.321 2.479 ( -0.250 2.701 1.374) 3.041 3.398 ( -0.899 -0.279 -1.544) 1.809 3.425 ( 0.258 8.096 -7.092) 10.766 3.456 ( -0.240 -8.960 5.687) 10.615 3.651 ( 0.526 1.788 1.555) 2.427 3.997 ( -0.809 -2.497 4.832) 5.499 4.106 ( -2.964 4.429 -5.303) 7.518 4.214 ( -0.322 0.248 0.380) 0.556 4.304 ( 0.013 -0.352 1.252) 1.301 4.583 ( -5.757 3.672 -0.618) 6.857 4.667 ( 3.387 -1.151 1.521) 3.887 4.869 ( -1.430 0.222 -0.168) 1.457 4.946 ( -2.564 0.166 -0.008) 2.570 5.162 ( -0.002 -1.711 -2.013) 2.642 5.239 ( 1.271 1.298 -1.029) 2.088 5.610 ( 1.051 0.141 -0.074) 1.063 5.657 ( 0.588 -0.210 0.253) 0.674 5.780 ( -0.304 1.649 4.226) 4.546 5.821 ( -1.012 -1.451 -0.844) 1.961 5.947 ( -1.475 0.249 2.845) 3.214 6.022 ( -0.103 0.024 -3.000) 3.002 6.091 ( -0.962 1.115 -2.600) 2.988 6.163 ( -1.473 1.161 0.545) 1.953 6.330 ( -1.248 0.722 -1.137) 1.837 6.356 ( 3.081 -1.806 2.438) 4.324 7.044 ( -0.849 -0.102 -1.636) 1.846 7.082 ( 1.387 -0.758 -0.277) 1.604 7.180 ( 0.781 1.379 -0.003) 1.585 7.202 ( 0.161 -0.394 -0.123) 0.443 7.355 ( -1.566 -0.756 0.939) 1.977 7.392 ( 1.310 0.335 -0.269) 1.379 7.746 ( -0.742 0.713 -0.182) 1.046 7.804 ( 0.156 -0.015 0.946) 0.959 8.138 ( 0.556 -0.554 0.005) 0.784 8.176 ( -0.104 0.920 -1.762) 1.990 8.198 ( 1.622 -3.538 1.831) 4.302 8.319 ( 1.346 -0.103 1.998) 2.411 8.354 ( -0.044 -1.919 -1.045) 2.185 8.420 ( 0.248 0.016 -1.071) 1.099 10.992 ( -0.171 0.238 1.439) 1.468 11.036 ( 0.490 -0.566 -1.434) 1.617 11.501 ( -0.172 -1.096 -0.726) 1.326 11.539 ( -0.001 0.342 0.760) 0.833 12.811 ( -0.486 -0.232 0.688) 0.874 12.891 ( 0.114 -1.299 -0.703) 1.481 14.572 ( -0.990 0.572 0.832) 1.415 14.614 ( 0.596 -0.571 -0.888) 1.213 15.584 ( -0.629 3.924 1.005) 4.099 15.607 ( 0.258 -0.354 -0.750) 0.869 15.669 ( -1.284 -2.191 -0.815) 2.668 15.814 ( -1.796 -0.612 0.549) 1.975 16.442 ( -2.457 1.027 4.313) 5.069 16.559 ( 0.966 1.233 -5.841) 6.047 16.967 ( -0.377 2.132 1.944) 2.910 17.333 ( -0.023 1.199 -0.418) 1.271 ======================= Grid point 89 (32/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 1.981 0.861 1.588) 2.681 0.853 ( -4.709 5.527 0.308) 7.268 0.872 ( 1.232 2.968 0.794) 3.310 0.945 ( 0.862 3.627 0.770) 3.807 1.032 ( -3.498 3.404 2.282) 5.388 1.118 ( 2.544 7.689 -2.457) 8.464 1.224 ( 0.919 1.235 -1.408) 2.086 1.266 ( 0.186 3.637 -1.225) 3.842 1.352 ( -1.696 3.216 -0.761) 3.715 1.448 ( -0.515 1.548 0.912) 1.869 1.492 ( 1.169 -0.107 -0.628) 1.332 1.562 ( -0.323 0.409 0.686) 0.861 1.596 ( -3.586 -0.630 1.035) 3.786 1.614 ( 2.177 -2.499 -1.543) 3.656 1.675 ( -1.462 -0.078 0.957) 1.749 1.688 ( -0.256 1.499 1.033) 1.839 1.719 ( -0.346 -0.720 -0.290) 0.850 1.842 ( -0.646 0.527 -0.232) 0.865 1.915 ( -2.550 -0.866 -0.411) 2.724 2.087 ( 1.206 4.370 -0.112) 4.535 2.192 ( -0.211 5.373 -1.145) 5.498 2.266 ( -1.708 3.433 1.406) 4.084 2.342 ( -1.271 4.717 -1.181) 5.026 2.409 ( -0.361 4.539 0.083) 4.554 3.336 ( 2.466 1.255 -3.328) 4.328 3.377 ( -1.442 0.223 -0.617) 1.584 3.626 ( -1.206 -4.703 3.474) 5.970 3.646 ( 2.285 -2.318 4.065) 5.208 3.948 ( -5.695 5.845 -1.443) 8.287 3.974 ( -5.382 2.736 -0.573) 6.065 4.202 ( -1.747 0.649 -0.049) 1.864 4.306 ( -0.590 0.586 1.948) 2.118 4.432 ( -6.733 4.360 -2.296) 8.343 4.677 ( -0.673 2.274 0.353) 2.397 4.839 ( -3.616 -0.375 -0.059) 3.636 4.902 ( -3.973 -0.493 -1.778) 4.381 5.182 ( 1.471 -1.132 -3.242) 3.736 5.248 ( 2.012 0.538 2.598) 3.330 5.618 ( 2.015 0.489 -0.420) 2.115 5.698 ( 1.205 -2.923 1.250) 3.400 5.770 ( 0.321 1.005 5.546) 5.645 5.840 ( -0.458 -1.791 -1.460) 2.355 5.898 ( -3.580 2.365 1.973) 4.722 5.976 ( 1.931 3.169 -7.753) 8.595 6.060 ( -4.835 0.935 1.132) 5.052 6.112 ( -3.053 0.233 0.384) 3.086 6.331 ( 1.124 -0.560 -0.260) 1.282 6.410 ( 1.868 -0.268 1.408) 2.355 7.040 ( 1.099 0.354 0.307) 1.194 7.122 ( 2.395 -1.175 -0.108) 2.670 7.169 ( 0.269 0.343 -0.017) 0.436 7.211 ( -0.464 -0.534 0.115) 0.717 7.349 ( -2.261 -0.550 1.115) 2.580 7.392 ( 1.778 1.092 -1.897) 2.820 7.727 ( -0.538 0.222 0.391) 0.701 7.808 ( 0.220 -0.059 0.040) 0.231 8.163 ( 2.243 -0.978 0.169) 2.453 8.205 ( 1.729 -2.954 -1.244) 3.641 8.292 ( 1.470 -4.018 2.000) 4.723 8.317 ( 0.465 1.345 0.698) 1.585 8.406 ( 2.000 -2.530 -2.097) 3.846 8.440 ( 0.119 -2.222 0.712) 2.337 10.997 ( 0.064 -0.293 1.699) 1.725 11.047 ( 0.635 -0.582 -1.746) 1.947 11.521 ( 0.070 -1.405 -1.074) 1.770 11.539 ( -0.462 -0.408 1.117) 1.276 12.820 ( -0.862 -1.184 1.085) 1.823 12.925 ( -0.272 -3.066 -0.850) 3.193 14.555 ( -1.149 0.323 0.803) 1.439 14.622 ( 0.099 -0.206 -0.863) 0.893 15.507 ( -0.731 4.098 0.346) 4.177 15.601 ( -0.086 0.606 -1.755) 1.858 15.667 ( -3.566 -0.655 1.206) 3.821 15.809 ( -4.868 -2.598 0.238) 5.523 16.390 ( -4.169 2.192 4.325) 6.394 16.505 ( -0.327 2.802 -6.135) 6.753 16.904 ( 0.243 6.014 2.828) 6.650 17.282 ( -0.640 3.833 -1.617) 4.209 ======================= Grid point 90 (33/70) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -1.714 9.277 4.513) 10.458 0.673 ( -6.951 8.072 8.244) 13.470 0.835 ( 0.746 2.976 0.306) 3.083 0.902 ( 1.967 2.858 0.697) 3.539 0.946 ( -1.667 2.944 -3.554) 4.906 1.035 ( 5.222 5.679 -1.548) 7.869 1.158 ( -2.857 6.159 -1.942) 7.061 1.198 ( -2.778 2.437 0.572) 3.739 1.316 ( 2.197 0.992 -1.266) 2.723 1.338 ( -1.632 9.234 1.530) 9.501 1.494 ( -0.692 2.953 0.561) 3.084 1.512 ( -4.626 5.560 0.177) 7.235 1.537 ( -2.092 2.710 0.050) 3.424 1.609 ( 1.290 3.029 0.021) 3.292 1.650 ( 0.264 1.418 -2.123) 2.566 1.674 ( -2.519 0.603 2.936) 3.915 1.716 ( -1.625 0.563 -0.914) 1.948 1.779 ( -3.180 0.712 1.233) 3.484 1.909 ( -0.702 0.020 1.270) 1.451 2.021 ( 0.762 3.579 -2.289) 4.316 2.094 ( -1.328 4.128 -0.449) 4.360 2.197 ( -1.720 2.500 2.373) 3.852 2.235 ( -1.195 4.164 -1.336) 4.534 2.342 ( -0.437 1.897 -4.066) 4.508 3.364 ( -0.004 -1.663 -0.586) 1.764 3.402 ( 2.938 -2.936 2.742) 4.977 3.635 ( 1.635 0.752 -0.632) 1.907 3.749 ( -1.473 -2.212 0.896) 2.804 3.810 ( -7.448 1.655 3.092) 8.232 3.817 ( -5.454 4.533 -4.980) 8.666 4.139 ( -5.126 2.542 1.752) 5.984 4.258 ( -5.026 3.951 -1.257) 6.515 4.331 ( -0.314 0.832 1.313) 1.586 4.595 ( -3.121 3.535 -1.095) 4.841 4.824 ( -2.965 -1.796 1.041) 3.619 4.889 ( -1.477 -2.020 -3.000) 3.906 5.225 ( 2.819 -2.302 -2.090) 4.197 5.264 ( 0.512 0.439 4.237) 4.290 5.636 ( 1.317 -0.568 -0.144) 1.441 5.762 ( 0.748 -1.547 -1.054) 2.016 5.799 ( 2.050 -0.482 4.900) 5.333 5.829 ( -0.852 1.488 2.195) 2.785 5.855 ( -1.948 -1.134 -2.016) 3.024 5.931 ( 2.034 1.782 -5.211) 5.871 5.980 ( -3.247 1.556 -0.604) 3.651 6.090 ( -2.445 0.339 -0.138) 2.473 6.343 ( 0.693 0.597 0.961) 1.326 6.414 ( 0.159 1.070 0.519) 1.200 7.062 ( 2.674 -0.151 2.383) 3.585 7.151 ( -0.164 -0.616 0.320) 0.714 7.181 ( 0.437 -0.932 -0.674) 1.230 7.206 ( -1.342 -0.294 0.346) 1.417 7.339 ( -1.588 -0.289 1.431) 2.157 7.383 ( 1.784 1.155 -2.763) 3.486 7.735 ( 0.616 -0.789 0.822) 1.295 7.815 ( 0.871 -0.287 -0.747) 1.183 8.220 ( 2.882 -1.903 1.075) 3.617 8.278 ( 2.074 -3.311 -1.628) 4.233 8.295 ( 0.143 1.270 1.562) 2.018 8.377 ( 1.329 -3.012 0.945) 3.425 8.447 ( 0.841 -1.368 -1.510) 2.204 8.494 ( 0.029 -3.084 0.303) 3.099 11.012 ( 0.079 -0.618 1.718) 1.827 11.056 ( 0.672 -0.262 -1.936) 2.065 11.535 ( -0.339 -0.525 0.930) 1.121 11.556 ( -0.137 -1.606 -0.771) 1.787 12.838 ( -0.893 -1.373 1.929) 2.531 12.983 ( -0.884 -4.366 -0.543) 4.488 14.544 ( -0.842 0.000 0.812) 1.170 14.615 ( -0.603 0.407 -0.909) 1.164 15.444 ( 1.598 2.817 -1.295) 3.488 15.577 ( -1.982 0.139 -0.770) 2.130 15.639 ( -4.013 -0.393 1.880) 4.449 15.798 ( -7.408 -3.192 0.063) 8.066 16.326 ( -5.103 0.691 4.131) 6.601 16.427 ( -0.432 2.999 -6.352) 7.038 16.785 ( 0.319 9.029 4.020) 9.889 17.176 ( -1.232 6.363 -5.143) 8.274 ======================= Grid point 91 (34/70) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -3.613 10.625 9.667) 14.812 0.521 ( -3.414 8.762 15.144) 17.827 0.756 ( -1.707 4.170 -4.611) 6.447 0.840 ( -4.798 5.897 -7.767) 10.868 0.890 ( 1.110 1.873 3.358) 4.002 0.947 ( -9.213 14.343 7.878) 18.779 0.983 ( -5.200 7.144 2.655) 9.227 1.044 ( 7.013 5.944 -1.998) 9.408 1.171 ( 1.243 3.413 0.339) 3.648 1.318 ( -2.336 2.066 -0.188) 3.125 1.377 ( 1.897 -1.216 -1.494) 2.704 1.444 ( -5.897 2.219 0.313) 6.309 1.491 ( 2.446 1.831 -0.544) 3.103 1.579 ( 0.742 3.245 -1.168) 3.528 1.619 ( 1.708 1.292 -2.531) 3.316 1.629 ( -2.039 1.716 1.146) 2.901 1.697 ( 0.422 0.833 0.056) 0.935 1.749 ( -3.711 0.719 0.672) 3.839 1.903 ( -2.030 0.121 3.125) 3.728 1.957 ( 1.238 3.657 0.016) 3.861 2.021 ( -2.327 1.114 -1.118) 2.812 2.162 ( -0.014 0.732 -4.566) 4.624 2.195 ( -0.658 0.031 2.150) 2.249 2.305 ( -0.667 0.237 -4.649) 4.703 3.406 ( -0.130 -2.905 1.145) 3.125 3.509 ( 2.136 -4.382 4.246) 6.465 3.588 ( -1.513 3.970 -4.557) 6.230 3.688 ( -1.266 -0.085 -0.008) 1.269 3.736 ( -2.125 0.716 -3.209) 3.915 3.797 ( -2.996 -1.119 -0.644) 3.262 4.043 ( -4.620 2.828 2.635) 6.024 4.122 ( -4.955 3.336 -2.642) 6.531 4.344 ( 1.011 0.182 4.870) 4.978 4.515 ( -2.433 1.488 -1.644) 3.292 4.838 ( -1.692 -1.626 1.981) 3.071 4.910 ( 0.332 -1.939 -3.914) 4.381 5.271 ( -1.514 -0.019 5.532) 5.736 5.293 ( 2.669 -2.166 -0.943) 3.564 5.659 ( 0.196 -1.206 0.352) 1.272 5.749 ( 3.108 2.838 -5.137) 6.641 5.812 ( -0.637 -0.509 0.118) 0.824 5.816 ( -1.704 0.608 -0.377) 1.848 5.884 ( 2.463 -0.617 3.088) 3.998 5.928 ( 0.212 -1.134 -1.587) 1.963 5.956 ( -0.299 -0.729 -0.326) 0.853 6.042 ( -1.885 2.019 -1.128) 2.984 6.339 ( 0.593 0.791 1.489) 1.787 6.389 ( -0.986 1.267 0.320) 1.637 7.112 ( 3.131 -0.972 2.255) 3.979 7.152 ( -1.932 -0.403 0.981) 2.204 7.172 ( -0.623 0.287 -0.035) 0.687 7.218 ( 0.439 -0.479 0.222) 0.687 7.339 ( -1.140 -0.680 1.252) 1.824 7.371 ( 1.455 0.968 -2.700) 3.216 7.767 ( 1.790 -1.123 1.135) 2.399 7.826 ( 0.190 -0.343 -0.679) 0.784 8.282 ( 1.941 -1.402 1.571) 2.864 8.292 ( 0.982 0.520 3.461) 3.635 8.339 ( 1.200 -2.101 -1.773) 3.000 8.431 ( 0.086 -2.227 -1.903) 2.930 8.470 ( 1.419 -0.881 -0.687) 1.806 8.534 ( -2.317 -2.630 0.163) 3.509 11.027 ( -0.200 -0.498 1.433) 1.530 11.058 ( 0.743 0.009 -1.773) 1.923 11.542 ( -0.747 -0.360 1.778) 1.962 11.578 ( 0.304 -1.085 -1.538) 1.906 12.876 ( 2.842 -1.865 4.796) 5.878 13.041 ( -2.584 -3.799 0.371) 4.610 14.543 ( -0.163 -0.194 0.608) 0.659 14.590 ( -1.168 1.039 -0.821) 1.766 15.457 ( 7.442 -0.138 -2.581) 7.878 15.567 ( -3.781 -3.003 0.431) 4.848 15.618 ( -3.000 -0.882 1.291) 3.383 15.765 ( -11.234 -4.329 -0.846) 12.069 16.299 ( -5.482 -2.448 3.024) 6.722 16.367 ( -0.145 0.594 -5.200) 5.236 16.637 ( -0.502 8.829 4.257) 9.815 16.956 ( -5.579 14.453 -13.731) 20.702 ======================= Grid point 93 (35/70) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 7.225 0.000 7.718) 10.572 0.600 ( 6.181 0.000 6.283) 8.814 0.676 ( 3.016 0.000 -0.579) 3.071 0.745 ( 7.304 0.000 -5.752) 9.297 0.856 ( 7.304 0.000 2.888) 7.854 0.922 ( 2.056 0.000 0.398) 2.095 0.953 ( 5.992 0.000 -0.227) 5.997 1.142 ( -4.101 -0.000 -2.858) 4.999 1.290 ( 4.601 0.000 10.085) 11.085 1.305 ( -2.844 -0.000 0.492) 2.886 1.354 ( 15.092 0.000 -8.609) 17.375 1.415 ( -2.441 -0.000 1.322) 2.777 1.437 ( -1.112 -0.000 0.104) 1.117 1.492 ( -1.231 -0.000 -0.729) 1.431 1.599 ( 5.601 0.000 0.013) 5.601 1.691 ( 2.091 0.000 -2.415) 3.194 1.715 ( 1.227 0.000 -1.265) 1.762 1.809 ( 5.382 0.000 0.174) 5.385 1.838 ( -2.289 -0.000 2.925) 3.714 1.988 ( 1.195 0.000 1.680) 2.062 2.037 ( 3.305 0.000 1.640) 3.690 2.110 ( 2.359 0.000 -7.641) 7.997 2.233 ( 0.442 0.000 4.318) 4.341 2.253 ( -0.132 -0.000 -2.090) 2.094 3.448 ( 0.064 0.000 -0.186) 0.196 3.535 ( 3.434 0.000 -0.447) 3.462 3.542 ( -3.776 -0.000 7.193) 8.124 3.657 ( -1.869 -0.000 -4.191) 4.588 3.745 ( 3.615 0.000 -4.053) 5.431 3.869 ( 8.633 0.000 -0.066) 8.633 4.105 ( 8.776 0.000 3.365) 9.399 4.121 ( 7.247 0.000 -1.299) 7.363 4.412 ( -2.257 -0.000 -3.654) 4.295 4.461 ( 4.071 0.000 5.882) 7.153 4.857 ( 0.535 0.000 2.264) 2.326 4.953 ( 3.250 0.000 -4.406) 5.475 5.222 ( -3.877 -0.000 5.039) 6.358 5.340 ( -0.830 -0.000 0.785) 1.142 5.661 ( -1.985 -0.000 -0.868) 2.167 5.719 ( 0.838 0.000 -7.070) 7.120 5.780 ( 0.052 0.000 1.061) 1.062 5.829 ( 1.151 0.000 1.381) 1.798 5.886 ( -3.396 -0.000 0.873) 3.507 5.950 ( 1.504 0.000 1.247) 1.954 5.975 ( -0.739 -0.000 -2.987) 3.077 5.998 ( 1.244 0.000 1.511) 1.957 6.342 ( -0.246 -0.000 -0.276) 0.369 6.383 ( 1.362 0.000 1.394) 1.949 7.142 ( 0.609 0.000 -1.660) 1.768 7.176 ( -1.196 -0.000 -0.439) 1.275 7.181 ( -1.390 -0.000 3.762) 4.011 7.225 ( 0.428 0.000 -1.996) 2.041 7.303 ( 0.827 0.000 -0.275) 0.872 7.378 ( 0.293 0.000 -1.045) 1.085 7.759 ( -3.153 -0.000 -0.430) 3.182 7.817 ( -1.835 -0.000 0.470) 1.894 8.270 ( -4.688 -0.000 2.692) 5.406 8.309 ( -2.666 -0.000 -2.464) 3.631 8.374 ( 0.524 0.000 4.792) 4.821 8.375 ( -0.857 -0.000 -4.674) 4.752 8.449 ( -1.419 -0.000 -0.355) 1.463 8.543 ( -0.750 -0.000 2.325) 2.443 11.015 ( -1.267 -0.000 1.349) 1.850 11.065 ( 0.368 0.000 -1.597) 1.639 11.544 ( -0.467 -0.000 2.122) 2.173 11.591 ( 0.690 0.000 -1.755) 1.886 12.956 ( -0.975 -0.000 -4.310) 4.419 13.132 ( -2.382 -0.000 -0.458) 2.426 14.555 ( 0.605 0.000 -0.625) 0.870 14.601 ( 2.625 0.000 0.716) 2.721 15.366 ( 4.028 0.000 -1.642) 4.350 15.523 ( -2.359 -0.000 2.656) 3.553 15.660 ( 3.050 0.000 1.629) 3.458 15.837 ( 5.394 0.000 3.777) 6.585 16.393 ( 6.640 0.000 -4.777) 8.180 16.446 ( 6.984 0.000 4.812) 8.481 16.594 ( 4.224 0.000 2.409) 4.863 16.696 ( 8.047 0.000 1.426) 8.173 ======================= Grid point 94 (36/70) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 5.636 -7.492 2.133) 9.615 0.713 ( 5.528 -2.232 2.668) 6.532 0.755 ( -0.281 -5.061 -0.089) 5.070 0.807 ( 3.101 -2.324 -1.103) 4.029 0.943 ( 2.598 -2.038 -3.858) 5.079 0.969 ( 4.245 -0.963 -0.138) 4.355 1.113 ( 6.488 -7.886 0.438) 10.221 1.151 ( 1.090 -4.806 -2.893) 5.715 1.244 ( -1.321 2.156 0.454) 2.568 1.370 ( 4.642 -0.763 2.713) 5.431 1.402 ( -0.747 -1.415 2.013) 2.571 1.474 ( 1.796 -2.345 0.422) 2.984 1.507 ( 3.860 -2.937 -0.025) 4.850 1.542 ( 5.236 -4.617 -3.057) 7.621 1.661 ( 4.788 -0.312 0.493) 4.824 1.708 ( 2.112 -0.887 -0.274) 2.307 1.729 ( 0.490 -0.487 -1.696) 1.831 1.822 ( -2.473 -0.074 0.853) 2.617 1.872 ( 4.816 -0.275 0.717) 4.877 2.022 ( 2.612 -1.558 -2.221) 3.766 2.072 ( 2.851 0.354 2.866) 4.058 2.157 ( 3.105 -4.042 -3.394) 6.124 2.237 ( 0.340 0.886 -1.308) 1.616 2.256 ( 1.289 -0.473 4.045) 4.272 3.422 ( 0.343 3.529 -0.076) 3.546 3.531 ( -0.368 2.923 -2.200) 3.677 3.555 ( -0.871 -1.082 3.051) 3.353 3.642 ( 0.680 -2.854 2.120) 3.620 3.789 ( 7.499 -0.705 -1.167) 7.622 3.963 ( 7.865 0.463 -1.607) 8.041 4.204 ( 7.931 -1.048 0.421) 8.011 4.250 ( 9.317 -2.552 1.782) 9.823 4.383 ( -0.837 -0.601 -4.398) 4.517 4.539 ( 5.020 -1.365 4.155) 6.658 4.871 ( 1.802 0.341 1.874) 2.622 4.954 ( 3.546 2.122 -3.796) 5.611 5.178 ( -3.626 1.981 3.542) 5.442 5.334 ( -1.201 -0.159 -0.743) 1.422 5.606 ( -2.546 1.238 1.150) 3.056 5.711 ( -1.028 -0.199 -3.439) 3.595 5.822 ( -0.567 1.739 1.883) 2.625 5.830 ( 0.814 -2.702 0.923) 2.969 5.861 ( -1.067 -0.641 0.752) 1.455 5.931 ( 0.249 1.881 -3.625) 4.091 5.984 ( 1.651 -1.889 -2.148) 3.303 6.054 ( 2.221 -3.044 2.608) 4.583 6.345 ( 0.129 -0.132 -0.323) 0.372 6.403 ( 0.771 -0.239 1.021) 1.301 7.108 ( -3.238 0.613 -3.188) 4.585 7.165 ( -1.506 -0.004 3.204) 3.540 7.191 ( -0.240 0.418 0.629) 0.792 7.209 ( 0.785 1.256 -0.209) 1.496 7.316 ( 2.143 0.405 -0.950) 2.379 7.381 ( 0.564 -0.334 -0.781) 1.019 7.733 ( -2.282 -0.573 0.048) 2.353 7.789 ( -2.087 0.556 0.729) 2.279 8.221 ( -4.388 0.886 2.287) 5.027 8.262 ( -3.532 0.681 -2.203) 4.218 8.338 ( -1.296 0.899 -3.184) 3.553 8.386 ( -0.607 0.272 1.987) 2.095 8.421 ( -2.132 1.250 0.227) 2.482 8.523 ( -1.471 1.388 1.536) 2.540 11.007 ( -1.257 0.027 1.769) 2.170 11.060 ( 0.245 0.297 -1.955) 1.992 11.539 ( -0.478 0.848 1.904) 2.139 11.586 ( 0.487 0.549 -1.552) 1.717 12.929 ( 0.636 1.426 -3.783) 4.092 13.049 ( -2.061 4.906 2.195) 5.756 14.566 ( 0.995 -0.363 -0.730) 1.286 14.618 ( 1.942 0.982 0.989) 2.390 15.432 ( 6.756 -1.389 -4.350) 8.155 15.519 ( -1.045 -0.610 3.049) 3.280 15.696 ( 3.238 0.268 1.916) 3.772 15.902 ( 3.420 -0.394 1.222) 3.653 16.401 ( 7.070 4.949 0.563) 8.649 16.489 ( 6.832 2.250 -2.961) 7.779 16.666 ( 2.530 -6.202 2.330) 7.091 16.949 ( 4.108 -11.786 2.576) 12.745 ======================= Grid point 95 (37/70) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.038 0.071 1.395) 1.398 0.810 ( 5.400 -4.005 0.373) 6.733 0.857 ( 2.961 -4.260 -2.090) 5.593 0.897 ( 0.258 -6.701 3.325) 7.485 0.970 ( 2.636 -1.085 -3.702) 4.672 1.045 ( 5.349 -2.176 -2.339) 6.230 1.200 ( -1.968 -1.839 0.492) 2.738 1.254 ( 3.638 -1.699 -2.978) 4.999 1.274 ( 1.125 -5.287 0.579) 5.436 1.431 ( 0.094 -2.217 0.063) 2.220 1.462 ( 2.738 -3.273 0.652) 4.316 1.522 ( 1.553 -0.728 0.674) 1.843 1.585 ( 1.420 -2.017 0.930) 2.636 1.633 ( 2.002 -1.903 -0.773) 2.869 1.694 ( 2.114 1.452 0.369) 2.591 1.715 ( 1.690 1.888 0.575) 2.598 1.771 ( 1.938 -1.231 -1.550) 2.770 1.801 ( -4.244 -3.006 -1.305) 5.362 1.902 ( 1.860 1.617 2.214) 3.313 2.079 ( 3.061 -2.179 -2.705) 4.630 2.116 ( 2.231 -1.403 2.563) 3.676 2.222 ( 0.197 -2.760 -0.943) 2.923 2.272 ( 2.262 -2.593 1.229) 3.653 2.330 ( 3.562 -4.450 1.118) 5.808 3.358 ( 0.316 4.080 -0.985) 4.209 3.428 ( -0.637 3.604 -3.699) 5.204 3.614 ( 0.926 -2.388 2.748) 3.757 3.712 ( 0.062 -2.746 4.023) 4.871 3.886 ( 6.280 1.281 0.002) 6.410 4.031 ( 8.068 -1.654 -0.817) 8.276 4.285 ( 7.194 1.761 -0.014) 7.407 4.346 ( 2.996 -0.529 -1.436) 3.365 4.429 ( 6.066 -3.079 -1.439) 6.954 4.621 ( 2.829 -1.518 2.880) 4.313 4.897 ( 3.160 0.467 1.038) 3.359 4.944 ( 3.595 1.816 -2.195) 4.587 5.120 ( -3.348 1.124 2.101) 4.109 5.307 ( -1.145 0.777 -3.313) 3.590 5.588 ( -1.575 -0.664 0.923) 1.942 5.709 ( -0.470 -0.774 1.820) 2.033 5.784 ( -2.112 1.084 2.964) 3.798 5.839 ( 0.621 0.958 1.457) 1.851 5.865 ( -0.569 0.269 -4.129) 4.177 5.937 ( 2.198 -2.062 -2.535) 3.939 6.062 ( 3.539 -3.918 -0.161) 5.282 6.138 ( 2.893 -2.291 1.265) 3.901 6.336 ( -0.556 1.062 -0.105) 1.203 6.406 ( -0.613 0.470 0.467) 0.902 7.054 ( -3.344 0.112 -3.070) 4.541 7.130 ( -3.400 1.388 -1.370) 3.920 7.178 ( 1.148 0.760 1.804) 2.269 7.218 ( 0.689 -0.231 2.094) 2.217 7.317 ( 0.178 0.585 -0.175) 0.636 7.397 ( 2.028 -0.020 -0.710) 2.149 7.731 ( -0.756 -0.857 -0.310) 1.184 7.773 ( -1.280 -0.679 1.381) 2.002 8.167 ( -3.166 1.223 -0.152) 3.397 8.204 ( -3.402 1.057 -0.383) 3.583 8.302 ( -2.012 0.711 -0.646) 2.230 8.361 ( -2.156 1.049 -0.729) 2.506 8.365 ( -2.671 2.209 1.185) 3.663 8.485 ( -0.593 1.809 0.479) 1.963 11.000 ( -1.236 -0.072 2.084) 2.424 11.047 ( 0.172 0.596 -2.263) 2.347 11.519 ( -0.547 1.274 1.254) 1.869 11.575 ( 0.410 0.749 -0.946) 1.274 12.894 ( 0.737 2.310 -2.306) 3.346 12.964 ( -0.594 3.940 1.926) 4.425 14.581 ( 1.166 -0.341 -0.735) 1.420 14.617 ( 0.991 1.148 0.882) 1.754 15.512 ( 4.898 -1.894 -3.237) 6.169 15.543 ( 0.794 -1.361 1.861) 2.439 15.723 ( 2.732 1.210 1.917) 3.551 15.918 ( 3.128 2.558 -0.145) 4.043 16.411 ( 4.763 1.554 2.945) 5.811 16.525 ( 5.787 -0.006 -5.057) 7.685 16.813 ( 2.002 -6.486 1.642) 6.984 17.151 ( 0.866 -8.088 1.235) 8.228 ======================= Grid point 96 (38/70) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 2.362 1.534 -0.032) 2.817 0.887 ( 4.116 0.535 0.865) 4.240 0.931 ( 2.440 -2.680 -0.637) 3.680 0.994 ( 1.305 -2.074 -1.086) 2.680 1.045 ( 1.279 -3.812 1.204) 4.197 1.158 ( 2.858 -5.372 0.072) 6.085 1.235 ( 1.585 -3.620 -1.696) 4.300 1.279 ( 2.439 0.512 -2.628) 3.622 1.375 ( 0.956 -4.335 1.287) 4.622 1.463 ( -0.286 -1.369 0.860) 1.642 1.501 ( 2.049 1.977 -2.489) 3.782 1.534 ( -1.327 0.913 1.881) 2.476 1.592 ( 1.130 1.214 -0.234) 1.675 1.657 ( -0.621 1.877 1.540) 2.506 1.670 ( 2.666 1.702 -0.359) 3.183 1.714 ( 1.118 -0.448 0.546) 1.322 1.758 ( -0.165 1.927 -1.098) 2.224 1.817 ( -4.096 -2.412 -2.371) 5.312 1.891 ( 0.171 0.930 2.700) 2.860 2.123 ( 1.414 -1.179 -2.033) 2.743 2.186 ( 1.347 -3.328 2.599) 4.432 2.299 ( 0.839 -4.300 -0.479) 4.407 2.340 ( 1.439 -2.607 1.493) 3.331 2.441 ( 1.515 -4.199 -0.244) 4.471 3.298 ( 0.721 1.466 -0.553) 1.725 3.397 ( 1.496 0.675 0.231) 1.657 3.648 ( -0.536 -0.920 -1.705) 2.010 3.737 ( 1.835 4.045 -1.572) 4.712 3.897 ( 2.501 -0.530 5.050) 5.660 4.137 ( 4.067 -1.239 -1.804) 4.619 4.293 ( 5.385 3.843 -1.634) 6.814 4.360 ( 2.810 1.971 0.208) 3.439 4.557 ( 5.490 -3.847 1.080) 6.790 4.652 ( -0.905 -0.072 0.624) 1.102 4.906 ( 1.651 1.631 -0.280) 2.338 4.953 ( 0.826 0.443 0.575) 1.100 5.098 ( -1.794 -1.076 2.008) 2.900 5.275 ( -0.044 0.643 -4.107) 4.157 5.591 ( 0.398 -0.412 -0.146) 0.591 5.709 ( 1.016 1.458 -0.017) 1.777 5.780 ( -2.514 -1.342 3.073) 4.191 5.829 ( 0.530 1.185 0.544) 1.408 5.870 ( 0.595 -2.206 0.302) 2.305 5.982 ( 1.261 -1.317 -1.812) 2.571 6.155 ( 1.987 -1.852 -0.289) 2.732 6.186 ( 1.775 0.051 -0.728) 1.919 6.312 ( 1.328 0.815 1.418) 2.107 6.374 ( -2.423 1.349 -0.454) 2.810 7.021 ( -2.890 -0.883 -1.746) 3.490 7.076 ( -2.013 0.637 -0.628) 2.203 7.185 ( 1.746 0.329 -0.394) 1.820 7.238 ( 1.897 0.391 0.811) 2.099 7.314 ( -1.204 -1.154 1.371) 2.159 7.408 ( 1.481 0.889 -0.413) 1.776 7.740 ( -0.163 -0.772 -0.433) 0.900 7.789 ( -0.932 -1.278 1.172) 1.969 8.123 ( -1.993 0.000 -0.734) 2.124 8.160 ( -1.575 0.975 0.278) 1.873 8.250 ( -3.313 2.108 -0.269) 3.936 8.308 ( -3.346 0.452 1.932) 3.890 8.330 ( -0.174 0.505 -0.508) 0.737 8.454 ( 0.086 1.517 -0.969) 1.802 10.997 ( -1.087 -0.146 2.013) 2.293 11.032 ( 0.240 0.472 -2.201) 2.264 11.497 ( -0.516 0.864 0.874) 1.333 11.562 ( 0.260 0.828 -0.611) 1.062 12.853 ( 0.404 2.324 -0.656) 2.448 12.911 ( -0.057 2.342 0.541) 2.404 14.597 ( 0.973 -0.299 -0.415) 1.099 14.605 ( 0.213 1.191 0.459) 1.294 15.568 ( 1.161 -1.570 0.791) 2.107 15.592 ( 2.883 -1.674 -2.400) 4.108 15.716 ( 1.692 3.072 2.057) 4.066 15.887 ( 1.831 3.642 -0.434) 4.099 16.448 ( 1.856 0.006 3.863) 4.286 16.566 ( 4.230 -0.306 -5.484) 6.932 16.931 ( 2.152 -3.891 1.593) 4.723 17.266 ( -0.686 -5.006 0.269) 5.060 ======================= Grid point 97 (39/70) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 5.091 1.485 -0.357) 5.315 0.904 ( 2.188 1.082 -0.501) 2.492 0.988 ( 2.324 -0.136 0.714) 2.435 1.018 ( 2.114 0.778 -0.902) 2.427 1.092 ( -0.486 -0.314 3.362) 3.412 1.236 ( -0.133 -1.839 -1.320) 2.268 1.285 ( 1.537 -2.881 -1.721) 3.691 1.340 ( 3.049 -0.187 -0.045) 3.055 1.433 ( 1.795 0.739 0.646) 2.046 1.446 ( 1.873 3.799 -3.226) 5.325 1.480 ( 1.031 -0.348 -0.619) 1.252 1.506 ( -0.427 -1.447 2.407) 2.841 1.579 ( -1.107 1.003 1.050) 1.826 1.614 ( -0.049 2.645 -0.131) 2.649 1.667 ( 0.317 0.257 0.769) 0.871 1.701 ( -0.166 2.514 -0.724) 2.621 1.760 ( -0.543 -1.779 -0.912) 2.071 1.790 ( -2.450 -0.621 0.210) 2.537 1.893 ( -0.424 0.028 2.060) 2.104 2.141 ( 0.458 -0.529 -2.659) 2.749 2.258 ( 0.776 -2.472 1.895) 3.210 2.336 ( 0.959 0.792 -0.113) 1.249 2.402 ( 0.050 -2.400 0.041) 2.401 2.494 ( 0.023 -0.996 0.051) 0.997 3.348 ( 1.438 -4.937 3.739) 6.358 3.410 ( 2.058 0.702 1.216) 2.491 3.576 ( 1.154 8.499 -6.127) 10.541 3.676 ( 0.835 1.101 -1.341) 1.925 3.972 ( 0.165 -1.990 6.276) 6.586 4.128 ( -1.310 2.900 -3.776) 4.938 4.271 ( 4.144 3.567 -0.524) 5.493 4.354 ( 4.225 2.675 0.723) 5.053 4.577 ( -5.572 2.618 -0.384) 6.168 4.672 ( 2.164 -1.732 0.084) 2.773 4.878 ( -0.840 2.018 -0.482) 2.238 4.920 ( -4.555 1.176 0.172) 4.708 5.124 ( -0.275 -1.915 1.956) 2.751 5.263 ( 1.687 0.303 -2.844) 3.320 5.613 ( 1.700 -0.762 0.357) 1.897 5.699 ( 3.181 1.953 -1.409) 3.990 5.779 ( -1.768 -0.492 1.247) 2.219 5.821 ( 0.327 0.559 2.255) 2.346 5.929 ( -0.487 -2.369 3.530) 4.279 5.983 ( -2.217 -0.333 -1.474) 2.683 6.120 ( -1.665 3.157 -3.716) 5.153 6.181 ( -0.451 2.023 -0.459) 2.122 6.324 ( -1.382 0.589 -1.071) 1.845 6.366 ( 3.670 -1.715 2.028) 4.530 7.011 ( -1.932 -1.399 0.084) 2.387 7.073 ( 0.343 -1.201 0.052) 1.250 7.204 ( 2.483 -0.031 -0.918) 2.647 7.242 ( 3.008 2.001 -0.347) 3.630 7.336 ( -0.893 -1.179 1.725) 2.273 7.397 ( -0.143 0.497 -0.599) 0.791 7.740 ( -1.282 0.067 -0.198) 1.298 7.792 ( -1.615 -0.679 0.055) 1.753 8.124 ( -0.630 -1.062 0.175) 1.247 8.158 ( 0.337 -2.274 1.431) 2.708 8.183 ( -1.820 1.443 -1.283) 2.653 8.305 ( -0.974 -2.293 -0.560) 2.553 8.333 ( 0.089 -0.291 2.206) 2.227 8.428 ( 0.201 1.088 -1.726) 2.051 10.995 ( -0.678 -0.034 1.549) 1.691 11.026 ( 0.325 -0.286 -1.688) 1.743 11.488 ( -0.329 -0.051 0.555) 0.647 11.549 ( -0.046 0.689 -0.388) 0.792 12.822 ( 0.108 1.419 0.462) 1.496 12.884 ( -0.088 0.724 -0.510) 0.890 14.583 ( -0.565 1.185 0.992) 1.645 14.611 ( 0.891 -0.316 -0.975) 1.358 15.601 ( 0.672 -0.861 0.296) 1.132 15.631 ( 1.102 -1.197 -2.092) 2.650 15.667 ( 0.751 4.639 1.898) 5.068 15.830 ( -0.746 3.495 -0.127) 3.576 16.458 ( -0.722 1.201 4.208) 4.435 16.577 ( 2.337 1.039 -5.694) 6.242 17.001 ( 2.687 -0.546 2.063) 3.431 17.314 ( -1.721 -2.076 -0.537) 2.750 ======================= Grid point 98 (40/70) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 6.387 1.315 -0.571) 6.546 0.891 ( -0.524 1.560 -0.640) 1.766 0.960 ( 0.809 5.227 2.705) 5.941 1.014 ( 1.714 2.458 0.399) 3.023 1.075 ( -1.023 2.542 3.026) 4.082 1.226 ( 0.953 2.143 -3.367) 4.104 1.287 ( 2.273 5.665 0.946) 6.177 1.352 ( 1.274 4.818 -2.076) 5.399 1.377 ( 0.189 -2.414 0.130) 2.425 1.429 ( 0.731 1.948 -1.348) 2.479 1.512 ( 0.458 0.151 -0.307) 0.572 1.559 ( -1.390 0.496 -1.385) 2.023 1.567 ( 0.023 -1.730 2.277) 2.860 1.578 ( 0.946 -2.048 1.218) 2.564 1.660 ( -1.336 -0.062 0.786) 1.551 1.691 ( 1.358 -0.670 -1.224) 1.947 1.732 ( -1.525 1.111 0.032) 1.887 1.816 ( -1.165 -1.430 -0.745) 1.989 1.891 ( -0.780 0.098 3.484) 3.572 2.128 ( -0.360 0.959 -4.262) 4.384 2.281 ( 1.026 1.778 0.395) 2.090 2.310 ( 0.637 2.987 1.091) 3.243 2.399 ( -0.471 2.639 -0.540) 2.734 2.475 ( -0.895 2.898 -0.166) 3.038 3.399 ( 1.190 1.965 0.773) 2.424 3.431 ( 2.808 5.023 -3.623) 6.800 3.509 ( 1.740 -5.566 5.512) 8.025 3.673 ( 1.074 0.249 0.707) 1.310 3.963 ( -5.816 3.343 4.247) 7.940 4.004 ( -2.534 5.182 -5.279) 7.820 4.253 ( 3.781 3.678 0.027) 5.275 4.357 ( 4.087 2.620 1.453) 5.068 4.438 ( -6.360 4.659 -1.696) 8.065 4.681 ( -3.181 0.439 -0.483) 3.247 4.821 ( -2.102 1.978 -1.368) 3.194 4.847 ( -4.848 0.132 -1.270) 5.013 5.163 ( 0.882 -1.748 0.930) 2.167 5.276 ( 1.791 0.058 -0.570) 1.881 5.651 ( 2.523 -0.514 0.400) 2.606 5.693 ( 1.994 1.159 -0.519) 2.364 5.778 ( -0.674 -0.471 1.898) 2.069 5.824 ( -0.648 0.606 2.931) 3.063 5.912 ( -2.499 1.443 1.935) 3.474 5.995 ( -1.441 -2.052 0.568) 2.571 6.036 ( -1.499 2.735 -4.286) 5.300 6.097 ( -3.444 3.039 -3.050) 5.513 6.335 ( 1.784 -0.873 0.526) 2.054 6.422 ( 1.547 -0.769 0.758) 1.887 7.034 ( 0.068 -1.871 1.694) 2.525 7.112 ( 1.186 -2.097 -0.001) 2.409 7.210 ( 2.153 2.379 -0.233) 3.217 7.235 ( 2.339 2.008 -0.163) 3.087 7.330 ( -1.220 0.369 1.115) 1.694 7.398 ( -0.211 -0.849 -1.463) 1.705 7.719 ( -1.351 0.045 0.176) 1.363 7.789 ( -1.534 -1.034 -0.867) 2.043 8.152 ( 0.488 -2.076 0.407) 2.171 8.170 ( 0.429 -1.543 -1.282) 2.052 8.236 ( 0.657 -4.338 2.414) 5.007 8.335 ( -0.247 -0.822 -0.413) 0.953 8.363 ( 1.132 -2.565 0.182) 2.809 8.416 ( 0.048 -0.373 -0.789) 0.874 10.997 ( -0.292 -0.234 1.440) 1.488 11.035 ( 0.406 -0.756 -1.528) 1.753 11.496 ( 0.009 -0.987 0.091) 0.992 11.536 ( -0.447 0.289 -0.030) 0.534 12.811 ( -0.188 0.218 1.310) 1.341 12.882 ( -0.295 -1.060 -1.243) 1.660 14.561 ( -0.580 0.938 1.270) 1.682 14.618 ( 0.363 -0.140 -1.281) 1.339 15.591 ( 0.505 5.112 1.174) 5.269 15.611 ( 0.644 0.476 -1.007) 1.287 15.642 ( -0.572 -0.083 -0.408) 0.708 15.755 ( -3.888 2.063 0.301) 4.411 16.419 ( -2.320 2.975 4.390) 5.788 16.541 ( 1.107 2.864 -6.030) 6.767 17.016 ( 3.041 3.304 3.339) 5.596 17.299 ( -2.450 0.816 -2.004) 3.269 ======================= Grid point 99 (41/70) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.475 7.382 2.965) 7.969 0.823 ( 3.209 4.548 5.029) 7.502 0.891 ( 0.081 3.378 -0.972) 3.516 0.955 ( -1.210 4.576 0.465) 4.756 1.012 ( 0.045 4.075 2.659) 4.866 1.168 ( 3.252 4.297 -4.474) 7.004 1.225 ( 1.148 4.575 -3.079) 5.632 1.248 ( -3.114 6.304 0.250) 7.035 1.352 ( 3.793 1.978 0.211) 4.283 1.455 ( 0.110 3.330 0.986) 3.474 1.471 ( -2.752 -1.627 -0.577) 3.249 1.539 ( -1.707 1.250 -1.342) 2.505 1.574 ( 0.500 0.858 2.217) 2.429 1.641 ( 0.325 -1.857 -1.343) 2.315 1.672 ( -0.328 -0.710 2.079) 2.222 1.697 ( 0.516 2.225 0.962) 2.478 1.717 ( 1.831 -0.000 -1.775) 2.551 1.765 ( -4.149 3.220 -0.440) 5.271 1.903 ( -1.007 -0.396 4.443) 4.573 2.070 ( -0.457 3.105 -5.549) 6.375 2.228 ( 3.462 7.137 0.050) 7.933 2.249 ( -0.942 3.934 2.132) 4.573 2.304 ( -2.375 5.861 0.340) 6.333 2.381 ( -0.911 5.082 -3.880) 6.459 3.397 ( 1.363 0.893 4.034) 4.351 3.411 ( 5.817 0.593 -1.870) 6.139 3.594 ( -2.500 -2.739 0.487) 3.740 3.711 ( 1.176 -1.621 1.255) 2.363 3.789 ( -9.126 5.692 3.496) 11.310 3.884 ( -0.527 5.500 -4.301) 7.001 4.198 ( 0.813 5.875 1.453) 6.106 4.296 ( -3.608 5.086 -3.062) 6.946 4.363 ( 3.180 1.604 4.031) 5.380 4.601 ( -4.896 2.150 -3.382) 6.327 4.781 ( -1.155 -0.283 -0.283) 1.222 4.828 ( -1.521 -2.018 -2.237) 3.375 5.212 ( 2.176 -1.855 0.597) 2.921 5.281 ( -0.138 0.432 0.344) 0.569 5.659 ( 1.949 1.452 0.150) 2.435 5.720 ( -0.611 -2.140 -0.356) 2.254 5.800 ( 0.545 -1.488 2.763) 3.186 5.803 ( -2.963 -0.235 3.130) 4.316 5.887 ( 1.438 1.707 1.312) 2.589 5.955 ( -4.787 1.802 -0.243) 5.120 5.990 ( 2.937 1.722 -5.093) 6.126 6.051 ( -1.733 -0.964 -2.167) 2.938 6.366 ( 1.366 0.023 1.633) 2.129 6.430 ( -0.273 0.536 -0.346) 0.694 7.083 ( 1.841 -1.652 2.919) 3.826 7.158 ( 0.868 -1.212 -0.260) 1.514 7.179 ( 0.534 1.922 0.234) 2.009 7.208 ( -0.069 1.906 -0.372) 1.943 7.324 ( -0.938 -0.211 1.819) 2.058 7.400 ( 0.446 0.131 -2.640) 2.681 7.724 ( 0.021 -1.090 1.016) 1.490 7.794 ( -0.901 -1.472 -1.934) 2.592 8.202 ( 0.953 -2.715 0.723) 2.967 8.226 ( 1.073 -3.691 -1.261) 4.045 8.309 ( -0.182 -1.717 2.226) 2.817 8.345 ( 0.784 -1.337 0.640) 1.677 8.418 ( 0.262 -2.197 -0.940) 2.403 8.439 ( -0.191 -2.519 -0.548) 2.585 11.006 ( -0.257 -0.548 1.592) 1.703 11.048 ( 0.508 -0.676 -1.728) 1.924 11.520 ( 0.447 -1.376 -0.354) 1.490 11.531 ( -0.794 -0.436 0.419) 0.998 12.821 ( -0.007 -0.962 2.337) 2.527 12.906 ( -0.668 -2.758 -1.803) 3.362 14.549 ( -0.186 0.553 1.646) 1.746 14.613 ( -0.172 0.272 -1.762) 1.791 15.523 ( 1.995 3.910 -0.041) 4.390 15.573 ( -2.212 3.137 0.068) 3.839 15.630 ( 0.096 0.405 0.389) 0.569 15.697 ( -4.852 -0.650 -0.236) 4.901 16.346 ( -2.634 3.697 4.558) 6.432 16.472 ( 1.239 3.730 -6.552) 7.640 16.969 ( 2.492 7.284 5.894) 9.696 17.222 ( -2.655 3.759 -5.317) 7.032 ======================= Grid point 100 (42/70) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 1.828 10.583 7.262) 12.965 0.738 ( 0.737 8.980 11.496) 14.607 0.799 ( -1.686 5.277 -3.414) 6.507 0.892 ( 0.958 3.464 -4.035) 5.403 0.961 ( 1.252 3.503 1.575) 4.039 1.052 ( -5.155 7.763 -1.525) 9.442 1.143 ( 4.700 2.129 -2.181) 5.602 1.163 ( 2.007 6.544 -4.393) 8.133 1.349 ( -1.208 12.371 5.282) 13.506 1.373 ( -1.720 1.955 2.193) 3.405 1.391 ( -0.508 3.855 0.085) 3.889 1.455 ( 0.247 4.691 -2.579) 5.359 1.565 ( 2.712 2.948 0.547) 4.043 1.591 ( -3.278 1.872 -1.856) 4.206 1.628 ( -2.896 2.514 2.793) 4.744 1.678 ( 2.823 1.594 -0.647) 3.306 1.726 ( -1.208 -0.650 0.251) 1.395 1.743 ( 3.851 0.636 -2.070) 4.418 1.895 ( -2.755 0.756 4.358) 5.211 2.008 ( 1.768 1.884 -5.517) 6.092 2.102 ( -0.870 8.808 3.202) 9.412 2.186 ( 0.846 2.996 -1.415) 3.420 2.214 ( -0.232 2.227 1.267) 2.572 2.292 ( -1.062 1.831 -5.394) 5.795 3.424 ( 2.896 0.035 5.257) 6.002 3.483 ( 3.065 -1.595 -0.317) 3.470 3.597 ( -3.619 -2.679 -3.529) 5.721 3.609 ( -3.797 3.691 -3.595) 6.400 3.730 ( -2.616 1.189 5.140) 5.889 3.829 ( 3.341 1.808 -1.474) 4.075 4.106 ( 0.763 5.488 2.847) 6.229 4.165 ( -0.864 5.523 -3.249) 6.466 4.391 ( 2.954 0.991 5.192) 6.055 4.509 ( -2.972 1.957 -4.390) 5.651 4.802 ( 0.144 -1.870 1.354) 2.314 4.859 ( 0.767 -2.930 -3.246) 4.440 5.251 ( -2.468 -0.720 2.182) 3.372 5.288 ( 2.531 -1.490 -0.489) 2.978 5.657 ( -0.188 0.770 2.545) 2.666 5.731 ( -1.502 -2.136 -2.731) 3.779 5.795 ( -2.105 -0.557 2.572) 3.370 5.855 ( -0.607 -2.724 2.716) 3.895 5.869 ( 2.698 3.467 -2.088) 4.864 5.917 ( 0.184 -1.244 -2.298) 2.620 5.983 ( 3.054 1.722 0.026) 3.507 6.033 ( -1.950 0.260 -2.462) 3.151 6.370 ( 0.421 1.075 2.234) 2.514 6.404 ( -0.770 1.398 -0.772) 1.773 7.137 ( 2.719 -0.235 1.217) 2.989 7.145 ( -0.780 0.730 0.871) 1.379 7.173 ( -0.075 -0.423 0.560) 0.706 7.204 ( 0.045 -0.926 -0.732) 1.181 7.322 ( -1.520 -0.035 2.517) 2.940 7.388 ( 0.594 0.570 -2.911) 3.025 7.758 ( 0.662 -1.730 1.794) 2.579 7.802 ( -1.095 -1.194 -2.024) 2.593 8.260 ( -0.280 -2.681 1.283) 2.985 8.294 ( 0.691 -3.235 -1.553) 3.655 8.323 ( 0.820 0.203 2.867) 2.989 8.385 ( -0.577 -1.927 -1.029) 2.259 8.447 ( -0.776 -2.091 0.636) 2.319 8.477 ( -0.182 -2.103 -0.904) 2.296 11.018 ( -0.578 -0.594 1.533) 1.743 11.057 ( 0.596 -0.394 -1.760) 1.900 11.531 ( -0.737 -0.541 1.066) 1.405 11.554 ( 0.650 -1.598 -0.894) 1.943 12.872 ( 2.147 -3.208 4.055) 5.599 12.945 ( -1.498 -3.562 -2.339) 4.517 14.549 ( 0.466 0.172 1.747) 1.816 14.594 ( -0.498 0.798 -2.021) 2.229 15.477 ( -5.893 2.380 2.563) 6.853 15.518 ( 4.160 0.610 -0.976) 4.316 15.637 ( 1.782 0.528 0.838) 2.039 15.666 ( -1.287 -0.478 -1.505) 2.037 16.280 ( -1.848 2.474 4.405) 5.379 16.409 ( 2.741 3.015 -6.852) 7.972 16.851 ( -0.108 10.625 8.789) 13.789 17.069 ( -1.611 8.776 -10.582) 13.842 ======================= Grid point 103 (43/70) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 7.566 0.000 4.945) 9.039 0.682 ( 2.164 0.000 -2.843) 3.573 0.779 ( 5.531 0.000 1.622) 5.764 0.811 ( 3.031 0.000 -1.562) 3.409 0.937 ( 4.281 0.000 -0.754) 4.347 1.034 ( 7.234 0.000 -1.586) 7.406 1.067 ( -0.726 -0.000 -2.563) 2.664 1.170 ( 9.847 0.000 -2.309) 10.114 1.251 ( -2.204 -0.000 1.175) 2.497 1.353 ( -2.863 -0.000 7.042) 7.602 1.433 ( 3.316 0.000 -0.946) 3.448 1.475 ( 3.739 0.000 0.681) 3.801 1.533 ( 3.542 0.000 -0.239) 3.550 1.574 ( 8.290 0.000 -4.231) 9.307 1.687 ( -0.883 -0.000 -3.291) 3.407 1.693 ( 1.661 0.000 2.279) 2.820 1.762 ( 4.255 0.000 0.713) 4.314 1.813 ( -0.122 -0.000 -0.602) 0.614 1.926 ( 5.031 0.000 1.500) 5.250 2.027 ( 2.446 0.000 -2.793) 3.713 2.125 ( 2.385 0.000 4.612) 5.193 2.138 ( 4.072 0.000 -5.110) 6.534 2.250 ( 0.882 0.000 -0.936) 1.286 2.277 ( 1.375 0.000 3.825) 4.064 3.507 ( 4.298 0.000 3.372) 5.463 3.525 ( -1.540 -0.000 5.435) 5.649 3.572 ( -2.040 -0.000 -7.741) 8.005 3.596 ( 2.521 0.000 0.596) 2.590 3.858 ( 8.031 0.000 0.004) 8.031 4.058 ( 8.982 0.000 -0.174) 8.984 4.290 ( 8.904 0.000 -0.809) 8.941 4.300 ( 2.728 0.000 -1.023) 2.913 4.390 ( 7.037 0.000 0.873) 7.091 4.600 ( 6.466 0.000 1.931) 6.748 4.904 ( 2.952 0.000 2.019) 3.576 4.999 ( 3.659 0.000 -3.633) 5.157 5.180 ( -3.440 -0.000 4.411) 5.594 5.307 ( -1.904 -0.000 -1.097) 2.198 5.608 ( -2.558 -0.000 0.679) 2.647 5.658 ( -1.983 -0.000 -5.101) 5.473 5.798 ( -3.203 -0.000 0.205) 3.210 5.853 ( 3.301 0.000 0.668) 3.368 5.858 ( -0.154 -0.000 3.627) 3.631 5.961 ( 0.884 0.000 0.135) 0.894 5.963 ( 0.880 0.000 -3.321) 3.436 6.040 ( 1.816 0.000 0.455) 1.872 6.356 ( 1.469 0.000 0.033) 1.470 6.410 ( 0.460 0.000 0.288) 0.543 7.067 ( -3.810 -0.000 -2.774) 4.713 7.119 ( -5.801 -0.000 2.462) 6.302 7.226 ( -0.241 -0.000 0.916) 0.947 7.231 ( 3.190 0.000 0.981) 3.337 7.356 ( 4.499 0.000 -2.645) 5.219 7.373 ( -0.438 -0.000 0.335) 0.551 7.704 ( -1.863 -0.000 1.026) 2.126 7.765 ( -2.899 -0.000 -0.403) 2.927 8.190 ( -4.784 -0.000 4.173) 6.349 8.218 ( -3.915 -0.000 -3.475) 5.235 8.318 ( -1.650 -0.000 -4.229) 4.539 8.377 ( -3.017 -0.000 2.903) 4.187 8.411 ( -1.954 -0.000 -0.918) 2.159 8.521 ( -1.876 -0.000 1.878) 2.654 10.999 ( -1.426 -0.000 2.013) 2.467 11.058 ( 0.148 0.000 -2.229) 2.234 11.550 ( -0.458 -0.000 2.367) 2.411 11.587 ( 0.083 0.000 -1.993) 1.995 12.940 ( 1.110 0.000 -3.293) 3.475 13.065 ( -3.550 -0.000 1.969) 4.059 14.575 ( 1.474 0.000 -0.204) 1.488 14.649 ( 1.492 0.000 0.444) 1.556 15.485 ( 8.048 0.000 -6.576) 10.393 15.517 ( -0.302 -0.000 3.471) 3.484 15.743 ( 3.286 0.000 3.095) 4.514 15.916 ( 2.026 0.000 0.785) 2.173 16.509 ( 6.969 0.000 -3.862) 7.968 16.604 ( 6.267 0.000 2.494) 6.745 16.707 ( 4.811 0.000 2.165) 5.275 16.847 ( 3.844 0.000 2.395) 4.529 ======================= Grid point 104 (44/70) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 2.593 -3.150 -0.222) 4.087 0.789 ( 2.594 -2.455 0.071) 3.573 0.815 ( 4.664 -2.087 1.742) 5.398 0.892 ( 5.674 -2.290 0.234) 6.123 0.993 ( 4.641 0.158 -3.823) 6.015 1.080 ( 3.752 -1.544 -1.722) 4.408 1.134 ( 3.924 -3.884 0.054) 5.521 1.212 ( -0.366 0.246 1.314) 1.386 1.281 ( 5.257 -1.517 -1.800) 5.760 1.386 ( -1.713 -3.836 4.900) 6.454 1.456 ( 2.868 0.181 -1.242) 3.130 1.530 ( 2.649 -0.948 -0.173) 2.819 1.575 ( 3.014 -1.565 -0.325) 3.412 1.627 ( 1.318 -0.989 0.180) 1.657 1.683 ( -0.291 -1.616 -4.404) 4.700 1.720 ( -0.413 -0.939 2.149) 2.381 1.794 ( 3.991 1.785 0.768) 4.439 1.805 ( 1.328 1.244 -0.852) 2.009 1.960 ( 2.081 1.632 2.093) 3.373 2.059 ( 2.222 -1.965 -2.807) 4.084 2.143 ( 1.784 0.585 1.907) 2.676 2.186 ( 0.734 -1.697 -1.785) 2.569 2.272 ( 3.678 -1.007 -0.091) 3.814 2.318 ( 2.541 -1.623 1.822) 3.523 3.465 ( 1.479 6.045 0.237) 6.228 3.478 ( 0.011 3.461 -1.604) 3.814 3.591 ( 1.141 -1.853 -1.292) 2.531 3.680 ( 2.736 -3.786 4.639) 6.583 3.960 ( 6.817 -0.608 0.826) 6.894 4.113 ( 6.486 1.768 -1.109) 6.814 4.334 ( 3.355 -2.112 -1.977) 4.430 4.386 ( 8.543 -0.022 -0.711) 8.573 4.491 ( 8.369 -0.162 2.885) 8.854 4.661 ( 4.778 0.866 0.278) 4.863 4.947 ( 4.351 0.427 1.290) 4.558 5.003 ( 2.665 2.113 -2.404) 4.165 5.126 ( -3.796 2.513 3.110) 5.513 5.288 ( -1.196 -0.158 -3.320) 3.532 5.581 ( -0.119 0.121 1.468) 1.478 5.661 ( -2.159 -3.189 -1.634) 4.184 5.762 ( -3.308 0.030 -0.569) 3.357 5.861 ( -0.372 0.514 1.636) 1.755 5.879 ( 2.280 0.982 0.662) 2.569 5.944 ( 2.052 1.140 -0.654) 2.437 6.025 ( 3.256 -4.078 0.160) 5.220 6.100 ( 1.248 -3.847 -0.622) 4.092 6.362 ( 1.325 1.145 0.419) 1.801 6.409 ( -0.536 0.315 -0.490) 0.792 7.012 ( -3.936 0.471 -2.162) 4.515 7.076 ( -5.936 -1.348 0.001) 6.087 7.210 ( -0.342 1.327 3.200) 3.481 7.250 ( 1.728 1.138 -0.230) 2.081 7.348 ( 1.087 1.771 -0.279) 2.096 7.410 ( 2.819 -0.872 -1.097) 3.148 7.707 ( -0.289 -0.988 1.094) 1.502 7.741 ( -2.366 -0.844 -0.421) 2.548 8.148 ( -3.515 0.838 -0.274) 3.624 8.171 ( -3.954 -0.313 0.575) 4.008 8.284 ( -2.298 0.280 -2.228) 3.213 8.338 ( -4.759 0.695 1.754) 5.120 8.377 ( -1.509 1.228 -0.962) 2.170 8.502 ( -1.156 0.858 0.968) 1.735 10.991 ( -1.526 -0.100 2.267) 2.735 11.049 ( 0.126 0.299 -2.514) 2.535 11.540 ( -0.594 1.170 1.817) 2.241 11.581 ( 0.023 0.081 -1.459) 1.462 12.929 ( 0.979 1.433 -2.360) 2.929 13.015 ( -2.217 2.494 1.907) 3.843 14.591 ( 1.484 -0.028 -0.029) 1.484 14.651 ( 0.913 1.142 0.178) 1.473 15.532 ( 1.430 -0.412 1.905) 2.417 15.549 ( 5.771 -0.686 -4.593) 7.408 15.780 ( 2.998 0.795 3.247) 4.490 15.948 ( 1.381 -0.744 -0.265) 1.591 16.534 ( 5.686 3.658 -0.536) 6.782 16.619 ( 6.191 5.101 -0.982) 8.082 16.763 ( 4.972 -3.819 1.634) 6.479 17.006 ( 0.582 -9.289 1.113) 9.374 ======================= Grid point 105 (45/70) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 2.811 -0.142 0.091) 2.816 0.874 ( 1.155 -4.508 -0.000) 4.654 0.945 ( 3.792 -4.885 0.273) 6.190 0.981 ( 5.216 0.776 -0.439) 5.292 1.025 ( 4.429 -2.043 -1.309) 5.050 1.132 ( 1.209 -1.417 0.941) 2.087 1.211 ( 5.019 -1.944 -0.030) 5.382 1.274 ( 0.685 -3.596 -0.479) 3.692 1.330 ( 2.296 -1.424 -0.361) 2.726 1.445 ( 0.649 -1.651 1.958) 2.643 1.492 ( 0.290 -2.345 -1.503) 2.800 1.553 ( 1.189 0.213 -0.193) 1.224 1.623 ( 1.652 -0.054 0.366) 1.692 1.647 ( -2.586 -2.122 0.116) 3.347 1.697 ( 2.133 -0.258 -2.708) 3.457 1.716 ( -2.285 0.269 1.331) 2.658 1.780 ( 1.556 3.289 -0.524) 3.676 1.800 ( 1.519 1.346 0.484) 2.087 1.940 ( 0.699 2.317 2.311) 3.346 2.103 ( 0.743 -1.691 -2.768) 3.327 2.165 ( 1.016 -1.311 2.181) 2.741 2.227 ( 0.596 -3.669 -1.164) 3.895 2.335 ( 2.356 -1.491 1.769) 3.302 2.393 ( 2.593 -3.202 -1.069) 4.257 3.371 ( 1.963 4.785 -1.676) 5.437 3.448 ( 1.792 2.353 3.865) 4.867 3.612 ( -0.031 -1.424 -3.968) 4.216 3.782 ( 2.966 -1.355 2.822) 4.313 3.963 ( 2.209 3.269 0.324) 3.959 4.172 ( 4.933 0.028 -0.514) 4.960 4.385 ( 3.835 0.542 -2.528) 4.625 4.456 ( 8.031 2.512 1.476) 8.543 4.577 ( 5.251 -0.532 2.254) 5.739 4.663 ( 1.409 1.825 -1.598) 2.805 4.947 ( -0.248 2.183 -0.184) 2.205 4.977 ( -0.851 2.309 0.151) 2.465 5.085 ( -0.300 -0.083 3.432) 3.446 5.272 ( 0.874 0.197 -4.719) 4.803 5.604 ( 2.598 -0.240 0.497) 2.656 5.705 ( -0.941 -3.391 0.912) 3.636 5.735 ( -1.852 -0.433 -0.175) 1.910 5.846 ( 0.097 0.620 -1.081) 1.250 5.880 ( 1.419 0.993 2.049) 2.683 5.975 ( 2.438 -0.840 -0.726) 2.679 6.124 ( 0.754 -3.023 1.554) 3.482 6.169 ( 1.075 -2.892 -1.382) 3.381 6.354 ( 1.732 1.336 0.979) 2.396 6.377 ( -1.661 1.539 -1.391) 2.657 6.968 ( -3.452 -0.741 -1.108) 3.701 7.043 ( -3.771 -1.188 -0.573) 3.995 7.210 ( 0.645 0.106 2.070) 2.171 7.241 ( 0.138 -0.131 -0.113) 0.221 7.331 ( 1.811 1.767 -0.124) 2.533 7.435 ( 1.661 0.509 -0.385) 1.779 7.723 ( -0.144 -0.785 -0.457) 0.920 7.749 ( -1.360 -1.745 1.010) 2.432 8.098 ( -2.436 0.345 -2.135) 3.258 8.151 ( -1.936 -0.279 1.720) 2.605 8.240 ( -3.616 1.029 -0.456) 3.787 8.277 ( -4.772 0.661 1.199) 4.964 8.343 ( -0.171 1.066 -0.085) 1.083 8.474 ( -0.546 1.287 -0.605) 1.524 10.986 ( -1.468 -0.278 2.284) 2.729 11.035 ( 0.256 0.475 -2.584) 2.640 11.516 ( -0.619 1.377 1.495) 2.125 11.573 ( 0.040 0.455 -1.126) 1.215 12.898 ( 0.759 2.334 -1.238) 2.749 12.955 ( -1.080 2.783 1.122) 3.189 14.605 ( 1.176 0.045 0.002) 1.177 14.634 ( 0.379 1.569 0.083) 1.617 15.563 ( 0.896 -0.949 2.149) 2.514 15.600 ( 4.454 -0.594 -4.425) 6.307 15.793 ( 2.228 2.230 3.242) 4.522 15.950 ( 0.739 1.801 -0.879) 2.136 16.517 ( 3.317 3.473 2.743) 5.531 16.611 ( 5.010 2.046 -4.170) 6.832 16.897 ( 4.439 -4.579 1.531) 6.558 17.147 ( -1.372 -7.192 0.165) 7.323 ======================= Grid point 106 (46/70) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 3.323 -0.046 0.590) 3.376 0.945 ( 1.159 0.137 -2.881) 3.108 0.980 ( 2.263 -1.759 -0.513) 2.912 1.050 ( 3.095 -1.672 0.226) 3.525 1.108 ( 2.956 -0.586 3.731) 4.796 1.174 ( 0.115 -2.774 2.279) 3.592 1.290 ( 1.256 0.466 -2.867) 3.164 1.335 ( 4.589 -3.994 -0.588) 6.112 1.395 ( -0.111 -3.927 0.806) 4.011 1.481 ( 2.471 -0.491 -0.123) 2.522 1.505 ( -1.470 -0.249 -0.179) 1.501 1.546 ( 2.804 2.528 -0.632) 3.828 1.612 ( 0.584 2.381 -0.432) 2.489 1.646 ( -1.318 -0.320 -0.191) 1.370 1.671 ( -3.464 1.826 0.444) 3.941 1.716 ( -2.644 0.235 0.042) 2.655 1.738 ( 3.046 0.530 -1.024) 3.257 1.775 ( -0.125 2.459 0.897) 2.620 1.927 ( 0.997 1.388 3.217) 3.643 2.116 ( -0.103 -0.974 -4.073) 4.189 2.226 ( 1.268 -3.078 1.811) 3.790 2.302 ( -0.026 -4.180 -1.022) 4.303 2.381 ( 1.407 -1.200 1.483) 2.370 2.459 ( 0.619 -2.623 -0.953) 2.859 3.352 ( 3.394 0.805 3.328) 4.821 3.454 ( 2.018 0.758 3.362) 3.994 3.618 ( -0.528 -0.424 -2.844) 2.924 3.747 ( 1.090 5.072 -7.428) 9.060 3.983 ( 2.126 -0.231 6.576) 6.915 4.167 ( 0.274 3.344 -1.331) 3.610 4.385 ( 4.935 3.013 -2.440) 6.276 4.475 ( 6.923 4.166 1.341) 8.190 4.569 ( -3.382 3.067 -0.886) 4.651 4.666 ( 1.194 -0.427 -0.271) 1.297 4.893 ( -4.222 2.184 -0.383) 4.769 4.907 ( -2.697 2.174 -0.149) 3.467 5.114 ( 0.536 -0.733 5.085) 5.165 5.270 ( 2.073 -0.088 -4.576) 5.025 5.633 ( 2.673 0.215 0.289) 2.697 5.739 ( -0.417 -1.310 -0.673) 1.531 5.757 ( 2.528 -1.117 0.680) 2.847 5.837 ( -0.066 0.381 1.072) 1.139 5.904 ( 0.898 -1.348 2.369) 2.870 5.977 ( -0.540 2.056 -0.803) 2.272 6.119 ( -3.327 0.834 -2.149) 4.047 6.201 ( -1.060 0.789 0.035) 1.322 6.324 ( -0.298 0.955 -0.802) 1.283 6.385 ( 2.958 -0.781 0.482) 3.097 6.963 ( -1.873 -1.974 0.890) 2.863 7.043 ( -1.310 -1.912 -0.034) 2.318 7.224 ( 2.617 -0.265 -2.112) 3.373 7.278 ( -0.234 -3.117 2.040) 3.732 7.324 ( 2.696 1.818 0.065) 3.252 7.421 ( -0.079 2.089 0.094) 2.092 7.727 ( -0.768 -0.131 -0.381) 0.867 7.753 ( -2.500 -0.887 -0.214) 2.661 8.089 ( -0.724 -1.688 0.055) 1.838 8.146 ( -0.182 -0.099 0.897) 0.920 8.179 ( -2.831 1.279 -0.716) 3.188 8.247 ( -2.668 -1.847 -0.289) 3.257 8.338 ( 0.113 0.083 2.186) 2.191 8.444 ( -0.047 1.251 -1.919) 2.291 10.986 ( -1.196 -0.463 1.966) 2.347 11.024 ( 0.487 0.243 -2.274) 2.338 11.495 ( -0.390 0.858 1.526) 1.793 11.558 ( -0.067 0.745 -1.182) 1.398 12.861 ( 0.519 2.374 0.038) 2.431 12.906 ( -0.518 2.085 -0.090) 2.150 14.605 ( -0.257 1.337 0.947) 1.658 14.617 ( 0.965 0.339 -0.860) 1.337 15.594 ( 0.607 -0.958 1.156) 1.619 15.629 ( 2.248 -0.165 -3.179) 3.897 15.766 ( 1.455 4.178 3.124) 5.416 15.896 ( -0.208 4.215 -1.138) 4.370 16.500 ( 0.592 2.346 3.832) 4.532 16.610 ( 3.159 1.567 -5.164) 6.253 17.013 ( 4.050 -2.922 2.136) 5.432 17.229 ( -2.543 -4.704 -0.746) 5.400 ======================= Grid point 107 (47/70) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 2.740 -0.424 0.194) 2.780 0.913 ( 0.098 1.878 -2.126) 2.838 1.037 ( 1.328 -0.206 1.036) 1.697 1.064 ( 1.230 1.884 -0.246) 2.263 1.125 ( 0.839 2.275 5.343) 5.867 1.244 ( 1.128 -1.077 0.257) 1.581 1.299 ( 0.640 -3.196 -1.404) 3.549 1.359 ( -0.470 0.514 -1.678) 1.816 1.456 ( 1.440 4.294 -0.599) 4.569 1.502 ( 2.698 -3.021 -0.367) 4.067 1.504 ( 0.554 2.340 -1.674) 2.930 1.541 ( 0.852 0.925 1.033) 1.628 1.557 ( 0.815 1.184 -0.190) 1.450 1.595 ( -2.205 2.574 0.177) 3.394 1.643 ( -1.968 -0.219 0.919) 2.183 1.681 ( -1.156 -0.603 -1.246) 1.804 1.741 ( 0.614 1.504 0.548) 1.714 1.773 ( -0.413 -1.672 0.302) 1.749 1.925 ( 0.803 1.350 4.259) 4.540 2.109 ( -0.446 -0.300 -5.937) 5.961 2.288 ( 0.603 -1.626 1.994) 2.643 2.342 ( -0.148 -0.843 -1.124) 1.413 2.418 ( 1.220 -0.537 1.129) 1.747 2.483 ( -0.932 -0.376 -0.770) 1.266 3.407 ( 1.094 -1.127 4.505) 4.771 3.480 ( 1.581 0.814 4.528) 4.865 3.572 ( 1.927 2.978 -4.312) 5.584 3.687 ( 1.390 0.549 -4.011) 4.281 3.992 ( -1.221 3.006 4.528) 5.570 4.063 ( -1.979 6.120 -1.851) 6.693 4.378 ( 5.881 3.740 -2.030) 7.259 4.438 ( -4.827 4.540 -0.620) 6.656 4.490 ( 6.595 3.754 -0.173) 7.590 4.641 ( -5.611 1.279 0.176) 5.758 4.807 ( -3.832 1.208 -0.299) 4.029 4.841 ( -1.432 2.643 -2.207) 3.729 5.153 ( 0.508 -1.409 5.010) 5.229 5.284 ( 1.750 -0.352 -3.511) 3.939 5.662 ( 1.971 -0.603 1.010) 2.296 5.746 ( 0.268 0.583 -2.194) 2.286 5.780 ( 2.083 1.312 1.755) 3.023 5.857 ( 1.709 0.540 4.005) 4.388 5.898 ( -4.296 1.236 0.246) 4.477 5.949 ( 0.437 -1.675 0.530) 1.810 6.049 ( -2.980 2.757 -1.407) 4.297 6.120 ( -2.207 3.446 -4.740) 6.262 6.343 ( 1.975 -0.787 1.710) 2.728 6.421 ( 0.624 -0.769 -0.570) 1.143 7.000 ( 0.143 -2.598 2.420) 3.553 7.075 ( -0.340 -2.626 -0.456) 2.687 7.259 ( 3.115 -0.233 -1.016) 3.285 7.312 ( 2.704 3.083 0.220) 4.107 7.337 ( 0.059 -2.602 0.486) 2.648 7.365 ( -2.221 2.413 0.143) 3.283 7.708 ( -1.211 0.277 0.016) 1.243 7.745 ( -1.934 -1.156 -1.352) 2.628 8.119 ( -0.133 -1.818 0.609) 1.922 8.147 ( -0.923 -0.583 -0.859) 1.389 8.183 ( 0.775 -3.059 2.244) 3.872 8.275 ( -0.846 -3.479 -2.294) 4.252 8.353 ( -0.044 -0.749 2.884) 2.980 8.421 ( 0.418 0.797 -2.026) 2.217 10.990 ( -0.742 -0.528 1.508) 1.762 11.024 ( 0.550 -0.341 -1.728) 1.845 11.490 ( 0.032 -0.014 1.333) 1.333 11.539 ( -0.300 0.708 -1.118) 1.357 12.831 ( 0.109 1.594 1.174) 1.983 12.874 ( -0.160 0.836 -1.205) 1.475 14.581 ( -0.271 1.287 1.308) 1.855 14.618 ( 0.419 0.156 -1.228) 1.307 15.615 ( 0.466 -0.560 -0.019) 0.729 15.631 ( 0.038 0.579 -1.296) 1.420 15.708 ( 1.669 4.977 2.257) 5.714 15.797 ( -1.728 5.495 -0.950) 5.838 16.466 ( -1.160 2.833 4.258) 5.244 16.584 ( 1.854 2.428 -5.648) 6.421 17.089 ( 3.153 -0.167 3.747) 4.900 17.253 ( -2.696 -1.938 -2.437) 4.119 ======================= Grid point 108 (48/70) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -2.317 0.625 0.778) 2.522 0.889 ( 1.930 0.949 -1.401) 2.567 0.993 ( 0.806 5.188 3.427) 6.270 1.033 ( 0.070 3.773 -0.749) 3.847 1.087 ( -0.461 3.839 4.804) 6.167 1.214 ( 0.572 2.538 -4.699) 5.371 1.323 ( -1.463 5.611 1.667) 6.034 1.367 ( 2.389 6.342 -1.992) 7.064 1.390 ( 0.298 -3.756 0.508) 3.801 1.427 ( 0.048 0.737 -2.257) 2.375 1.490 ( -1.584 2.759 1.002) 3.335 1.529 ( -0.446 0.978 -2.034) 2.300 1.587 ( 0.234 -1.242 1.391) 1.880 1.600 ( 0.263 -2.183 0.162) 2.205 1.645 ( -0.507 -1.756 1.971) 2.688 1.694 ( 0.442 -0.871 -2.273) 2.474 1.741 ( 1.713 0.305 1.318) 2.183 1.773 ( -1.996 0.259 -1.057) 2.274 1.930 ( 1.245 1.136 5.721) 5.964 2.076 ( -0.686 0.934 -7.083) 7.177 2.296 ( -0.474 1.405 2.023) 2.508 2.323 ( -0.667 2.496 -0.586) 2.650 2.406 ( 1.199 4.624 1.333) 4.959 2.445 ( -0.745 3.204 -1.946) 3.822 3.418 ( -1.464 0.083 1.551) 2.134 3.454 ( 0.748 1.438 -0.708) 1.769 3.609 ( 4.369 0.179 3.357) 5.512 3.697 ( 0.635 -1.058 -1.604) 2.023 3.847 ( -6.115 8.305 4.915) 11.424 3.961 ( 2.162 5.349 -4.677) 7.427 4.307 ( -4.600 4.429 1.234) 6.504 4.350 ( 3.809 5.449 -0.715) 6.687 4.492 ( 6.808 4.895 1.562) 8.529 4.544 ( -6.744 0.000 -3.022) 7.390 4.778 ( -0.475 -0.097 -0.901) 1.023 4.794 ( 0.750 0.713 -2.159) 2.394 5.206 ( 1.034 -1.801 3.632) 4.184 5.283 ( 0.076 0.437 -2.879) 2.913 5.690 ( -0.858 -0.472 1.043) 1.431 5.717 ( 1.398 1.854 -1.354) 2.688 5.787 ( -0.554 0.541 3.064) 3.161 5.811 ( -0.077 1.201 0.831) 1.463 5.913 ( -1.427 -0.052 4.261) 4.494 5.946 ( -2.388 2.078 0.989) 3.316 5.984 ( -0.059 -0.791 -2.226) 2.363 6.063 ( 3.301 1.732 -6.867) 7.813 6.380 ( 0.938 -0.560 2.450) 2.683 6.422 ( -1.269 -0.309 -1.223) 1.790 7.066 ( 1.223 -2.880 3.097) 4.403 7.117 ( -0.427 -2.728 -1.223) 3.021 7.248 ( 0.611 3.834 0.429) 3.906 7.261 ( -0.281 3.870 -0.604) 3.927 7.326 ( -0.120 0.076 1.968) 1.973 7.376 ( -0.346 -1.644 -2.077) 2.671 7.712 ( 0.577 -0.845 0.915) 1.373 7.747 ( -0.983 -1.556 -2.068) 2.768 8.158 ( -0.181 -2.607 0.450) 2.652 8.172 ( 0.347 -2.880 -0.929) 3.046 8.260 ( 0.051 -3.738 2.928) 4.748 8.317 ( -0.639 -2.689 -1.753) 3.273 8.380 ( -0.311 -1.748 1.260) 2.176 8.416 ( 0.780 -0.254 -1.344) 1.574 10.998 ( -0.463 -0.560 1.442) 1.615 11.034 ( 0.456 -0.719 -1.560) 1.777 11.504 ( 0.443 -0.891 0.818) 1.288 11.523 ( -0.460 0.275 -0.735) 0.909 12.820 ( -0.084 0.093 2.015) 2.019 12.867 ( 0.108 -0.637 -1.943) 2.048 14.566 ( 0.044 0.813 1.852) 2.024 14.611 ( -0.027 0.316 -1.851) 1.878 15.595 ( -0.776 2.857 0.974) 3.116 15.620 ( 0.898 1.115 -1.160) 1.842 15.669 ( 2.614 2.215 0.392) 3.448 15.676 ( -2.752 4.488 -0.115) 5.266 16.408 ( -1.399 3.767 4.463) 6.006 16.531 ( 1.861 3.401 -6.072) 7.204 17.096 ( -0.629 3.265 6.395) 7.208 17.231 ( 0.114 1.258 -5.148) 5.300 ======================= Grid point 109 (49/70) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -5.476 3.101 1.320) 6.430 0.862 ( 1.909 4.032 2.648) 5.188 0.921 ( -1.241 6.625 -0.954) 6.808 0.960 ( 3.724 3.351 0.734) 5.064 1.029 ( -0.990 3.474 4.480) 5.755 1.150 ( -4.083 9.433 -0.445) 10.288 1.173 ( 2.087 1.316 -6.313) 6.778 1.291 ( 4.315 5.301 -2.083) 7.145 1.368 ( -4.367 2.574 -0.562) 5.100 1.446 ( 2.449 0.804 1.425) 2.945 1.479 ( -1.333 1.659 -0.365) 2.159 1.503 ( 1.454 -0.963 0.894) 1.960 1.601 ( 0.090 0.128 1.949) 1.955 1.606 ( -2.052 2.771 -1.038) 3.601 1.674 ( -0.131 -0.549 1.255) 1.377 1.687 ( -1.482 0.138 0.618) 1.611 1.739 ( 1.151 1.338 -1.138) 2.100 1.775 ( 3.865 -0.627 -1.526) 4.202 1.929 ( 0.767 3.153 5.625) 6.494 2.031 ( 0.635 0.848 -5.909) 6.004 2.225 ( -3.372 6.424 0.091) 7.256 2.261 ( -0.414 2.481 1.827) 3.109 2.303 ( 2.238 7.362 0.827) 7.739 2.348 ( 0.785 6.703 -2.785) 7.301 3.407 ( -3.028 -1.344 -0.026) 3.313 3.464 ( -0.859 -2.400 -2.171) 3.348 3.617 ( 1.317 4.083 2.597) 5.015 3.674 ( 4.617 4.458 -1.379) 6.564 3.734 ( -2.971 0.990 6.235) 6.978 3.899 ( 3.891 3.345 -2.730) 5.812 4.204 ( -1.498 3.597 0.009) 3.897 4.268 ( 2.247 6.252 0.811) 6.693 4.483 ( -0.124 1.924 -4.893) 5.259 4.494 ( 3.654 2.244 3.257) 5.385 4.794 ( 2.150 -0.757 0.344) 2.305 4.817 ( 2.160 -2.064 -2.634) 3.982 5.220 ( -3.096 0.137 0.399) 3.125 5.289 ( 2.194 -1.144 -0.662) 2.561 5.675 ( -2.373 -0.359 -0.877) 2.556 5.702 ( 1.431 1.618 1.452) 2.603 5.775 ( -2.377 -0.451 4.907) 5.471 5.821 ( -1.368 0.612 1.443) 2.080 5.874 ( -0.642 -1.895 -0.654) 2.105 5.959 ( 4.496 1.986 0.122) 4.917 5.989 ( -0.775 -1.220 -2.496) 2.884 6.057 ( 3.778 1.748 -3.431) 5.395 6.383 ( -1.694 0.274 1.113) 2.046 6.412 ( -0.169 0.238 0.172) 0.339 7.134 ( 0.266 -2.426 1.870) 3.074 7.142 ( -0.827 -1.295 -1.262) 1.989 7.181 ( -0.924 2.574 0.504) 2.781 7.210 ( 0.677 1.665 -0.914) 2.017 7.326 ( -0.652 0.690 3.134) 3.274 7.380 ( -0.288 -0.479 -2.913) 2.966 7.744 ( 0.902 -1.222 2.002) 2.513 7.760 ( -0.659 -1.418 -2.148) 2.657 8.202 ( -1.208 -2.894 0.499) 3.176 8.232 ( 0.048 -3.696 -1.455) 3.973 8.318 ( -0.634 -2.022 2.336) 3.154 8.347 ( -0.509 -2.021 0.089) 2.086 8.403 ( -1.295 -1.561 -0.188) 2.037 8.442 ( 0.928 -1.978 -0.775) 2.318 11.007 ( -0.614 -0.487 1.641) 1.818 11.046 ( 0.399 -0.729 -1.739) 1.928 11.515 ( -0.713 -0.485 0.028) 0.863 11.535 ( 0.961 -1.306 0.061) 1.623 12.846 ( 0.362 -2.281 2.561) 3.449 12.885 ( 0.407 -1.851 -2.287) 2.971 14.566 ( 0.486 0.330 2.162) 2.240 14.595 ( -0.138 0.576 -2.230) 2.307 15.525 ( -0.752 5.336 -0.171) 5.391 15.560 ( -0.469 2.198 0.793) 2.384 15.646 ( 0.465 -0.217 -0.386) 0.642 15.691 ( 5.440 -0.222 0.053) 5.445 16.344 ( -0.414 3.924 4.471) 5.964 16.475 ( 3.103 3.405 -6.468) 7.941 16.998 ( -5.084 6.652 5.811) 10.191 17.181 ( 3.853 5.285 -4.626) 8.011 ======================= Grid point 113 (50/70) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 3.622 0.000 -0.705) 3.690 0.794 ( 2.290 0.000 1.498) 2.736 0.875 ( 4.604 0.000 -1.878) 4.972 0.906 ( 4.451 0.000 2.418) 5.066 1.055 ( 6.306 0.000 -1.091) 6.400 1.057 ( 2.643 0.000 -1.703) 3.144 1.168 ( 4.006 0.000 -1.713) 4.357 1.252 ( 1.749 0.000 3.092) 3.552 1.289 ( 3.695 0.000 -2.026) 4.214 1.352 ( -0.855 -0.000 3.975) 4.066 1.474 ( 0.693 0.000 -1.614) 1.756 1.558 ( 2.639 0.000 0.553) 2.696 1.590 ( 2.284 0.000 1.451) 2.705 1.596 ( -3.123 -0.000 -1.017) 3.284 1.677 ( 3.106 0.000 -3.431) 4.628 1.720 ( 0.311 0.000 1.081) 1.125 1.831 ( 1.904 0.000 -0.882) 2.098 1.847 ( 2.331 0.000 1.031) 2.549 2.000 ( 0.673 0.000 2.116) 2.220 2.048 ( 1.295 0.000 -2.611) 2.914 2.166 ( -0.565 -0.000 2.554) 2.616 2.170 ( 0.728 0.000 -2.769) 2.863 2.310 ( 5.205 0.000 -0.893) 5.281 2.331 ( 1.799 0.000 1.584) 2.397 3.493 ( -0.163 -0.000 -8.061) 8.062 3.525 ( -1.467 -0.000 2.377) 2.793 3.635 ( 4.602 0.000 4.188) 6.222 3.665 ( 2.812 0.000 2.773) 3.949 4.033 ( 6.844 0.000 1.809) 7.079 4.165 ( 1.475 0.000 -1.923) 2.424 4.371 ( 7.692 0.000 0.021) 7.692 4.478 ( 10.210 0.000 -1.264) 10.288 4.579 ( 5.953 0.000 3.917) 7.126 4.723 ( 4.590 0.000 -1.562) 4.849 5.009 ( 4.914 0.000 0.964) 5.007 5.041 ( 0.985 0.000 -2.109) 2.328 5.122 ( -3.849 -0.000 2.967) 4.860 5.267 ( 0.323 0.000 -4.200) 4.212 5.590 ( 0.622 0.000 1.255) 1.401 5.590 ( -1.757 -0.000 -1.320) 2.198 5.729 ( -2.595 -0.000 -0.463) 2.636 5.851 ( -3.113 -0.000 2.760) 4.161 5.944 ( 3.169 0.000 2.103) 3.803 5.977 ( 2.919 0.000 -2.495) 3.840 6.024 ( 4.534 0.000 2.415) 5.137 6.065 ( 1.525 0.000 -2.786) 3.177 6.389 ( 1.192 0.000 0.253) 1.218 6.398 ( -1.519 -0.000 -0.867) 1.749 6.975 ( -3.522 -0.000 -1.384) 3.784 6.989 ( -6.857 -0.000 0.038) 6.857 7.224 ( -1.133 -0.000 2.110) 2.395 7.266 ( -0.266 -0.000 -1.070) 1.103 7.374 ( -0.380 -0.000 2.835) 2.860 7.433 ( 4.267 0.000 -2.728) 5.064 7.705 ( -1.884 -0.000 -1.269) 2.271 7.709 ( 1.453 0.000 1.866) 2.364 8.115 ( -3.276 -0.000 -4.076) 5.229 8.133 ( -3.304 -0.000 4.083) 5.252 8.253 ( -2.775 -0.000 -1.727) 3.268 8.298 ( -5.206 -0.000 1.745) 5.491 8.371 ( -0.799 -0.000 -0.798) 1.130 8.499 ( -1.240 -0.000 0.504) 1.339 10.982 ( -1.610 -0.000 2.492) 2.966 11.045 ( 0.195 0.000 -2.735) 2.742 11.553 ( -0.714 -0.000 2.132) 2.248 11.573 ( -0.064 -0.000 -1.820) 1.821 12.945 ( 0.926 0.000 -1.793) 2.018 13.016 ( -2.347 -0.000 1.581) 2.830 14.607 ( 1.364 0.000 0.411) 1.425 14.669 ( 0.501 0.000 -0.353) 0.613 15.545 ( 0.463 0.000 3.477) 3.508 15.592 ( 6.146 0.000 -6.409) 8.880 15.827 ( 2.439 0.000 3.847) 4.555 15.953 ( 1.647 0.000 -0.826) 1.842 16.625 ( 5.827 0.000 -1.872) 6.120 16.736 ( 4.707 0.000 1.457) 4.927 16.808 ( 3.116 0.000 2.512) 4.003 16.897 ( 1.352 0.000 -1.280) 1.862 ======================= Grid point 114 (51/70) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.862 -2.471 0.075) 3.782 0.823 ( 0.940 -1.414 -0.066) 1.700 0.930 ( 5.659 -2.047 0.175) 6.021 0.996 ( 2.915 -3.542 1.402) 4.797 1.058 ( 3.396 1.824 -3.676) 5.327 1.135 ( 2.986 -1.211 2.129) 3.862 1.216 ( 1.371 -3.185 0.338) 3.484 1.261 ( 4.460 1.016 0.358) 4.589 1.342 ( 1.035 0.227 -0.351) 1.116 1.383 ( -0.725 -4.434 1.863) 4.864 1.471 ( -0.469 -0.538 -2.399) 2.503 1.549 ( -3.334 -0.877 1.009) 3.592 1.596 ( 1.985 -0.168 -0.901) 2.187 1.634 ( 1.720 -1.096 1.504) 2.534 1.702 ( 0.828 -0.457 -0.714) 1.185 1.725 ( 1.209 0.211 -0.786) 1.457 1.833 ( 1.547 1.709 -0.254) 2.320 1.852 ( 1.005 1.659 0.391) 1.979 1.988 ( -0.239 1.838 2.025) 2.745 2.067 ( 0.218 -1.571 -2.303) 2.796 2.164 ( -0.823 -0.297 2.070) 2.247 2.180 ( 0.451 -1.749 -2.009) 2.701 2.349 ( 2.075 -0.204 1.365) 2.492 2.378 ( 3.128 -1.681 -1.153) 3.733 3.444 ( 1.042 2.570 -4.161) 5.000 3.519 ( -0.711 0.552 2.116) 2.299 3.610 ( 2.380 3.358 0.357) 4.131 3.774 ( 1.989 -3.476 2.064) 4.505 4.050 ( 2.712 3.733 1.230) 4.775 4.201 ( 2.451 -1.932 -1.090) 3.306 4.441 ( 6.097 1.369 0.937) 6.319 4.579 ( 9.638 0.835 -0.408) 9.683 4.640 ( 4.207 0.165 3.209) 5.293 4.726 ( 1.971 3.066 -3.203) 4.853 4.978 ( -3.112 3.423 0.267) 4.634 5.009 ( -2.780 2.926 -0.317) 4.049 5.112 ( 2.725 0.630 2.387) 3.677 5.268 ( 1.714 -0.361 -5.259) 5.543 5.617 ( 1.314 -2.646 1.036) 3.131 5.634 ( 1.826 -2.820 0.308) 3.374 5.708 ( -1.991 -0.548 0.708) 2.183 5.822 ( -3.991 -0.848 0.140) 4.083 5.941 ( 2.491 2.643 1.741) 4.028 6.009 ( 4.675 0.227 -0.358) 4.694 6.089 ( 0.148 -1.425 -1.129) 1.824 6.127 ( 3.751 -3.754 0.620) 5.343 6.370 ( -2.320 0.620 -1.570) 2.868 6.390 ( 0.469 0.682 0.429) 0.932 6.918 ( -3.963 -0.183 -0.370) 3.985 6.964 ( -3.948 -2.294 -0.373) 4.581 7.214 ( -1.227 0.057 2.359) 2.660 7.246 ( -0.454 0.669 -2.550) 2.675 7.373 ( 0.376 0.729 2.794) 2.912 7.460 ( 2.440 0.405 -1.946) 3.147 7.697 ( -0.586 -0.893 -0.780) 1.323 7.737 ( 1.316 -0.265 1.398) 1.938 8.071 ( -1.731 0.214 -3.097) 3.555 8.123 ( -2.341 -0.993 2.245) 3.393 8.215 ( -2.925 0.568 -0.438) 3.012 8.245 ( -4.529 0.696 1.474) 4.814 8.360 ( 0.305 0.738 0.215) 0.827 8.480 ( -1.139 0.623 -0.751) 1.500 10.975 ( -1.494 -0.134 2.569) 2.975 11.036 ( 0.410 0.247 -2.834) 2.875 11.537 ( -0.675 1.226 1.535) 2.077 11.572 ( -0.015 -0.122 -1.218) 1.224 12.937 ( 0.941 1.437 -1.053) 2.015 12.984 ( -1.718 1.636 1.011) 2.579 14.620 ( 0.986 0.170 0.525) 1.130 14.661 ( 0.220 1.083 -0.501) 1.214 15.564 ( 0.210 -0.564 3.071) 3.130 15.628 ( 4.553 0.048 -5.679) 7.279 15.854 ( 1.701 0.972 3.935) 4.396 15.966 ( 0.847 0.066 -1.252) 1.513 16.631 ( 3.471 4.299 0.738) 5.574 16.712 ( 3.313 5.086 -1.580) 6.272 16.872 ( 3.974 -4.007 1.701) 5.894 17.004 ( -0.650 -7.484 -0.637) 7.539 ======================= Grid point 115 (52/70) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.018 -0.487 1.048) 2.326 0.891 ( 0.465 -4.391 -0.343) 4.429 0.999 ( 1.664 -0.211 -2.923) 3.370 1.027 ( 0.482 -0.667 -1.944) 2.111 1.128 ( 4.342 -3.707 4.277) 7.134 1.177 ( 1.829 0.132 4.081) 4.474 1.281 ( 0.437 -2.207 -1.509) 2.709 1.319 ( 4.167 -2.380 -1.211) 4.950 1.342 ( -1.423 -1.273 1.396) 2.366 1.431 ( -3.379 -3.328 -3.256) 5.753 1.489 ( 2.043 -1.584 0.121) 2.587 1.549 ( -2.610 -2.140 0.945) 3.505 1.617 ( 1.963 0.252 0.016) 1.979 1.659 ( 0.325 -0.193 0.449) 0.587 1.688 ( -0.515 1.807 0.398) 1.921 1.720 ( -0.048 1.999 -0.838) 2.168 1.801 ( 0.354 3.039 0.897) 3.189 1.824 ( 1.474 2.318 -1.099) 2.959 1.965 ( -0.093 1.251 3.231) 3.466 2.081 ( -0.441 -1.217 -3.676) 3.898 2.189 ( -0.157 -2.616 2.078) 3.345 2.230 ( 0.901 -3.641 -1.931) 4.218 2.378 ( 0.638 -0.975 1.868) 2.201 2.427 ( 1.240 -1.709 -1.508) 2.595 3.423 ( 2.460 1.082 1.420) 3.040 3.506 ( 0.666 1.939 4.429) 4.880 3.595 ( 0.995 0.096 -2.865) 3.034 3.776 ( -2.468 2.276 -6.301) 7.140 4.047 ( 3.684 1.369 5.962) 7.140 4.219 ( 0.234 1.469 -1.802) 2.337 4.454 ( 2.984 2.369 0.767) 3.886 4.608 ( 1.158 4.785 -2.519) 5.530 4.645 ( 4.788 4.775 -0.706) 6.799 4.684 ( 1.169 0.489 1.764) 2.172 4.895 ( -3.282 2.898 -0.167) 4.381 4.916 ( -2.937 2.620 -0.364) 3.953 5.134 ( 0.621 0.387 4.452) 4.512 5.274 ( 1.884 -0.201 -5.603) 5.914 5.662 ( 2.127 -0.096 -0.087) 2.131 5.701 ( -0.326 -1.662 0.473) 1.758 5.734 ( 0.332 -3.874 3.235) 5.058 5.822 ( -0.603 -2.572 -1.848) 3.224 5.931 ( 1.936 1.993 2.265) 3.585 6.034 ( 2.185 3.048 -1.114) 3.912 6.086 ( -0.959 -0.629 -0.896) 1.456 6.183 ( -2.328 -0.551 -0.437) 2.432 6.340 ( 0.787 0.472 -0.072) 0.920 6.393 ( 0.404 -0.567 -0.303) 0.759 6.914 ( -0.983 -2.141 1.038) 2.574 6.977 ( -2.284 -3.089 -0.591) 3.887 7.221 ( -1.444 -1.738 1.976) 3.002 7.237 ( 1.485 -0.370 -2.928) 3.304 7.380 ( 1.433 0.642 2.417) 2.882 7.454 ( 0.548 1.531 -1.155) 1.995 7.709 ( -0.001 -0.803 -0.548) 0.972 7.736 ( -1.164 0.867 0.205) 1.465 8.065 ( 0.739 -0.849 -0.597) 1.274 8.129 ( -1.975 -1.515 -0.287) 2.505 8.175 ( -0.963 1.223 0.276) 1.581 8.200 ( -2.939 0.110 0.851) 3.062 8.356 ( 0.622 0.760 2.025) 2.250 8.453 ( -0.666 0.803 -2.169) 2.407 10.972 ( -1.219 -0.324 2.349) 2.667 11.028 ( 0.715 0.321 -2.679) 2.791 11.515 ( -0.420 1.193 1.842) 2.234 11.564 ( 0.028 0.476 -1.463) 1.539 12.910 ( 0.762 2.405 -0.016) 2.523 12.937 ( -0.953 2.175 0.001) 2.375 14.623 ( 0.243 0.577 0.562) 0.841 14.639 ( 0.288 1.337 -0.495) 1.455 15.585 ( -0.271 -0.866 2.158) 2.341 15.646 ( 2.618 0.350 -4.431) 5.158 15.850 ( 0.817 2.553 4.097) 4.896 15.947 ( -0.000 2.248 -1.811) 2.886 16.577 ( 0.653 4.408 2.974) 5.357 16.665 ( 2.595 3.100 -4.094) 5.754 16.994 ( 3.015 -4.562 2.520) 6.021 17.105 ( -1.919 -6.086 -1.387) 6.530 ======================= Grid point 116 (53/70) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.131 0.087 1.917) 1.924 0.925 ( -0.625 0.191 -3.543) 3.603 1.018 ( 1.008 -2.519 1.203) 2.967 1.055 ( -1.531 -2.364 -2.078) 3.500 1.193 ( 1.085 1.519 5.353) 5.669 1.226 ( 2.229 -2.336 4.051) 5.180 1.290 ( 0.814 0.538 -2.413) 2.602 1.329 ( -2.380 -0.396 -3.117) 3.942 1.430 ( 0.643 -5.503 -0.044) 5.541 1.448 ( -1.538 -3.238 -1.638) 3.941 1.538 ( 0.703 0.027 1.317) 1.493 1.563 ( -0.931 -1.621 -0.905) 2.077 1.617 ( -0.939 2.392 0.441) 2.607 1.629 ( 1.924 3.913 0.103) 4.361 1.653 ( 0.015 1.483 -0.240) 1.503 1.667 ( 0.093 1.720 -0.680) 1.852 1.751 ( -2.319 1.609 2.618) 3.850 1.803 ( 2.555 2.133 -2.128) 3.951 1.961 ( -0.305 0.701 4.706) 4.768 2.078 ( -0.352 -0.629 -5.500) 5.547 2.250 ( -0.939 -3.338 2.340) 4.184 2.297 ( 0.937 -3.368 -2.065) 4.060 2.411 ( 0.289 -1.718 2.025) 2.671 2.453 ( -0.459 -1.402 -1.541) 2.133 3.459 ( 2.688 1.156 7.562) 8.108 3.502 ( 0.124 -0.136 4.152) 4.156 3.592 ( -0.123 0.564 -3.217) 3.269 3.667 ( -3.083 1.298 -10.197) 10.732 4.068 ( 1.193 3.142 5.862) 6.757 4.152 ( 0.082 4.518 -1.762) 4.850 4.443 ( 1.037 1.990 -0.548) 2.310 4.475 ( -2.966 4.518 -3.465) 6.420 4.626 ( -1.363 4.821 1.723) 5.298 4.648 ( 2.600 3.288 -0.046) 4.192 4.821 ( -0.030 2.656 1.073) 2.864 4.861 ( -0.508 1.933 -2.273) 3.026 5.150 ( -0.836 -0.841 5.796) 5.916 5.281 ( 1.688 -0.456 -5.391) 5.668 5.678 ( 0.868 0.011 1.202) 1.482 5.710 ( -1.506 -1.163 -1.338) 2.326 5.808 ( -2.563 -3.253 4.282) 5.957 5.871 ( 4.498 -0.151 -1.077) 4.628 5.913 ( -1.651 2.083 1.678) 3.143 5.967 ( 1.773 2.399 -2.626) 3.974 6.074 ( -1.523 2.725 1.353) 3.403 6.129 ( -0.961 1.535 -3.322) 3.783 6.360 ( 1.613 -0.258 1.976) 2.563 6.401 ( -1.211 -0.764 -1.501) 2.075 6.968 ( 1.366 -2.778 2.387) 3.909 7.014 ( -0.759 -3.206 -1.370) 3.568 7.252 ( -2.801 -3.500 0.255) 4.490 7.269 ( 2.816 -1.363 -1.489) 3.465 7.380 ( -0.924 1.561 2.323) 2.948 7.415 ( 1.087 3.020 -0.843) 3.318 7.705 ( -1.005 0.454 0.017) 1.103 7.717 ( 0.349 -0.142 -0.920) 0.994 8.099 ( 1.212 -1.099 1.185) 2.020 8.124 ( -1.436 -0.670 -0.857) 1.802 8.170 ( 1.085 -0.405 1.258) 1.710 8.201 ( -0.932 -2.562 -1.519) 3.120 8.358 ( 0.135 0.374 3.076) 3.102 8.429 ( 0.092 0.556 -2.816) 2.872 10.976 ( -0.847 -0.566 1.858) 2.119 11.024 ( 0.887 0.138 -2.161) 2.340 11.503 ( 0.003 0.679 2.028) 2.138 11.547 ( -0.056 0.878 -1.693) 1.907 12.870 ( -0.335 2.472 1.032) 2.700 12.896 ( 0.339 1.895 -1.066) 2.201 14.605 ( -0.377 1.292 0.911) 1.625 14.626 ( 0.384 0.626 -0.820) 1.101 15.602 ( -0.628 -0.984 1.046) 1.568 15.642 ( 0.845 0.766 -2.712) 2.942 15.808 ( -0.031 4.142 3.852) 5.657 15.877 ( -0.148 4.872 -2.243) 5.365 16.519 ( -1.170 3.232 3.901) 5.199 16.625 ( 1.499 2.350 -5.102) 5.814 17.089 ( -0.922 -3.151 4.276) 5.391 17.175 ( 0.552 -4.121 -3.063) 5.165 ======================= Grid point 117 (54/70) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -3.595 0.746 0.875) 3.774 0.902 ( -0.177 0.410 -1.663) 1.722 1.046 ( -1.357 0.663 0.749) 1.686 1.061 ( -0.776 -0.291 -0.380) 0.912 1.168 ( -0.742 3.534 5.121) 6.266 1.258 ( 0.642 2.584 -4.504) 5.232 1.306 ( 0.652 -3.860 2.544) 4.668 1.332 ( -0.817 -3.818 -2.963) 4.902 1.442 ( -3.661 5.786 0.064) 6.847 1.469 ( -0.936 2.229 1.096) 2.655 1.502 ( -2.667 -4.231 -0.201) 5.005 1.554 ( 0.130 2.490 -0.116) 2.496 1.564 ( 0.636 1.783 -0.956) 2.120 1.606 ( 0.804 2.885 -0.387) 3.019 1.642 ( 2.375 -1.039 1.285) 2.894 1.677 ( 1.383 -0.928 -1.216) 2.062 1.731 ( -1.916 -0.613 1.189) 2.337 1.786 ( 1.339 1.418 -0.572) 2.032 1.970 ( 0.478 -0.114 5.508) 5.530 2.057 ( -0.297 0.360 -6.640) 6.656 2.283 ( -2.200 -1.665 2.060) 3.443 2.337 ( 0.249 -0.325 -0.788) 0.888 2.451 ( 0.131 -1.044 0.424) 1.134 2.456 ( 0.115 -0.163 -0.477) 0.517 3.435 ( -1.559 3.648 5.137) 6.491 3.494 ( -1.007 2.765 -0.248) 2.953 3.606 ( 1.324 -3.614 1.067) 3.994 3.644 ( -2.289 -3.248 -7.152) 8.182 3.962 ( -2.879 8.030 4.366) 9.583 4.101 ( 5.394 5.174 -1.855) 7.701 4.332 ( -4.563 4.199 0.471) 6.219 4.462 ( 2.733 0.234 -2.727) 3.868 4.477 ( -7.146 4.947 1.123) 8.764 4.641 ( 4.822 3.555 0.366) 6.002 4.799 ( 2.815 1.711 0.221) 3.302 4.827 ( 2.129 2.046 -1.457) 3.292 5.189 ( -0.504 -2.098 4.560) 5.045 5.279 ( 0.475 0.186 -4.965) 4.991 5.680 ( -2.340 -0.114 0.976) 2.538 5.706 ( -1.158 -0.348 -0.254) 1.236 5.801 ( -3.354 -0.787 -0.076) 3.446 5.861 ( 1.464 3.325 2.396) 4.352 5.909 ( 1.179 -0.166 1.708) 2.082 5.967 ( -1.173 2.436 1.682) 3.184 6.011 ( 3.524 1.048 -2.525) 4.460 6.106 ( 3.302 1.947 -3.355) 5.094 6.381 ( -2.219 -0.115 -0.381) 2.255 6.388 ( -0.527 -1.131 1.065) 1.640 7.041 ( 1.800 -2.580 2.619) 4.094 7.057 ( -0.208 -2.837 -1.994) 3.474 7.263 ( -4.003 -1.449 -1.359) 4.469 7.306 ( -0.422 2.053 0.571) 2.172 7.327 ( -0.885 -0.098 1.047) 1.374 7.378 ( 1.285 2.423 -0.372) 2.768 7.715 ( 1.778 -0.764 0.755) 2.077 7.722 ( 0.793 -0.250 -1.227) 1.482 8.127 ( 0.333 -1.140 0.760) 1.410 8.132 ( 0.023 -1.400 -0.374) 1.449 8.216 ( 0.593 -2.703 2.168) 3.515 8.243 ( -0.321 -3.495 -2.377) 4.239 8.364 ( -0.546 -0.189 2.485) 2.551 8.419 ( 0.731 0.055 -2.343) 2.455 10.986 ( -0.529 -0.724 1.443) 1.698 11.027 ( 0.737 -0.160 -1.595) 1.764 11.505 ( 0.384 -0.004 1.689) 1.732 11.525 ( -0.164 0.732 -1.523) 1.697 12.833 ( -0.766 1.302 1.179) 1.917 12.872 ( 0.840 1.105 -1.212) 1.843 14.586 ( -0.226 0.841 1.412) 1.659 14.614 ( 0.110 0.611 -1.379) 1.512 15.615 ( -0.511 -1.015 0.158) 1.147 15.621 ( -0.328 1.216 -0.654) 1.419 15.733 ( -1.433 4.937 1.095) 5.256 15.781 ( 1.865 5.350 -0.628) 5.700 16.467 ( -1.466 2.848 4.312) 5.372 16.582 ( 1.515 2.407 -5.621) 6.299 17.100 ( -5.081 -0.561 3.513) 6.203 17.242 ( 3.813 -1.482 -2.215) 4.652 ======================= Grid point 118 (55/70) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -6.019 1.573 0.755) 6.267 0.889 ( -0.897 0.310 -0.283) 0.991 0.999 ( -1.698 3.427 0.013) 3.825 1.030 ( -0.219 1.917 -0.678) 2.046 1.101 ( -1.283 4.135 3.648) 5.661 1.215 ( 2.733 2.206 -4.194) 5.471 1.278 ( -2.177 8.460 0.265) 8.740 1.356 ( -2.536 0.707 -1.385) 2.974 1.396 ( 0.598 1.762 -0.330) 1.889 1.408 ( -0.372 -4.178 -0.885) 4.287 1.496 ( 0.106 1.539 1.678) 2.279 1.522 ( 0.125 1.717 0.654) 1.842 1.583 ( -0.727 -2.129 0.610) 2.331 1.600 ( 0.400 -1.876 -0.065) 1.919 1.652 ( -0.784 1.553 0.639) 1.853 1.697 ( 0.691 -0.241 -1.268) 1.464 1.734 ( 0.069 -0.964 0.131) 0.975 1.794 ( 1.747 -0.529 0.825) 2.003 2.012 ( 0.093 -1.026 -3.520) 3.668 2.015 ( 2.147 2.157 2.139) 3.720 2.269 ( -2.912 2.055 1.050) 3.715 2.306 ( -0.275 2.376 0.958) 2.577 2.417 ( -0.060 3.949 -1.661) 4.285 2.458 ( 1.613 3.037 1.138) 3.622 3.363 ( -3.455 1.893 1.036) 4.073 3.446 ( -1.152 1.342 -1.614) 2.394 3.659 ( -0.020 -1.802 -3.221) 3.691 3.672 ( -0.998 -2.960 -1.298) 3.382 3.831 ( 0.213 6.114 7.257) 9.491 4.052 ( 7.342 7.071 -2.004) 10.388 4.232 ( -2.731 2.783 0.874) 3.996 4.355 ( -3.817 2.463 1.450) 4.768 4.477 ( 3.645 1.096 -4.408) 5.824 4.624 ( 3.211 3.408 3.099) 5.615 4.825 ( 3.707 0.050 -1.544) 4.016 4.827 ( 4.469 0.953 0.200) 4.574 5.198 ( -2.581 0.689 -0.610) 2.740 5.281 ( 0.875 -1.443 -1.477) 2.243 5.650 ( -2.578 0.277 0.440) 2.630 5.699 ( -1.712 -1.147 -0.570) 2.138 5.794 ( 0.040 0.472 -0.345) 0.586 5.841 ( -3.564 1.854 6.469) 7.615 5.870 ( 2.181 2.080 1.531) 3.380 5.965 ( 2.006 -0.262 -2.333) 3.089 6.038 ( 4.929 1.081 0.296) 5.055 6.106 ( 3.936 1.130 -4.220) 5.881 6.352 ( -3.406 -0.650 -0.706) 3.539 6.407 ( -0.707 -0.791 1.850) 2.132 7.088 ( -0.858 -1.934 -1.891) 2.838 7.105 ( 0.353 -2.353 1.102) 2.622 7.214 ( -2.253 2.157 -0.432) 3.149 7.238 ( -1.976 1.890 -0.697) 2.822 7.343 ( -0.039 0.396 2.956) 2.983 7.363 ( 0.450 -0.044 -1.771) 1.828 7.735 ( 0.946 -0.549 -1.187) 1.615 7.754 ( 2.057 -0.523 1.573) 2.642 8.152 ( -0.560 -1.599 0.326) 1.725 8.167 ( -0.418 -2.814 -0.799) 2.955 8.274 ( -0.880 -2.955 1.994) 3.672 8.292 ( -0.468 -3.056 -0.607) 3.150 8.368 ( -1.195 -0.689 0.568) 1.492 8.427 ( 0.898 -0.714 -1.370) 1.786 10.998 ( -0.484 -0.600 1.499) 1.686 11.033 ( 0.420 -0.442 -1.529) 1.646 11.505 ( -0.426 0.145 -0.510) 0.680 11.528 ( 0.796 -0.760 0.572) 1.241 12.824 ( -0.485 -0.698 1.067) 1.364 12.870 ( 0.982 -0.287 -1.082) 1.489 14.581 ( 0.052 0.240 1.800) 1.817 14.599 ( 0.175 0.637 -1.836) 1.951 15.587 ( -0.470 1.852 0.927) 2.124 15.622 ( -0.487 5.744 -1.371) 5.926 15.636 ( 0.292 -1.398 0.068) 1.429 15.753 ( 3.948 1.416 0.417) 4.214 16.419 ( -0.453 3.110 4.408) 5.413 16.540 ( 2.663 2.649 -5.954) 7.040 17.036 ( -5.278 2.757 2.531) 6.470 17.276 ( 3.742 1.740 -1.024) 4.252 ======================= Grid point 123 (56/70) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.861 0.000 0.032) 1.862 0.816 ( -0.246 -0.000 -0.119) 0.273 0.974 ( 5.279 0.000 -0.712) 5.327 0.991 ( 1.513 0.000 3.947) 4.227 1.105 ( 1.105 0.000 -2.951) 3.151 1.136 ( 2.279 0.000 -2.895) 3.685 1.217 ( 2.091 0.000 3.964) 4.481 1.327 ( 2.912 0.000 0.521) 2.959 1.328 ( 1.196 0.000 -0.811) 1.445 1.348 ( -2.144 -0.000 2.624) 3.388 1.451 ( -0.295 -0.000 -2.255) 2.275 1.490 ( -4.008 -0.000 -0.652) 4.060 1.631 ( -0.747 -0.000 2.914) 3.008 1.636 ( 3.513 0.000 -1.435) 3.794 1.705 ( 0.218 0.000 0.402) 0.458 1.736 ( 1.639 0.000 -1.834) 2.460 1.864 ( 1.384 0.000 -0.504) 1.473 1.869 ( -0.448 -0.000 0.632) 0.775 2.004 ( -0.961 -0.000 2.008) 2.226 2.051 ( 0.632 0.000 -2.207) 2.295 2.152 ( -1.642 -0.000 1.671) 2.343 2.163 ( 0.609 0.000 -1.473) 1.594 2.368 ( 0.945 0.000 0.818) 1.250 2.390 ( 2.221 0.000 -0.885) 2.391 3.473 ( 2.580 0.000 -5.979) 6.512 3.482 ( -3.422 -0.000 0.081) 3.423 3.723 ( 1.298 0.000 3.725) 3.945 3.732 ( 1.565 0.000 2.631) 3.061 4.131 ( 1.684 0.000 1.174) 2.052 4.173 ( 0.739 0.000 -1.457) 1.634 4.531 ( 5.339 0.000 3.184) 6.217 4.682 ( 8.531 0.000 -2.518) 8.895 4.682 ( 1.422 0.000 4.281) 4.511 4.757 ( 0.638 0.000 -3.739) 3.793 4.985 ( -4.352 -0.000 0.649) 4.400 4.993 ( -3.145 -0.000 -1.146) 3.347 5.160 ( 2.836 0.000 1.340) 3.137 5.262 ( 1.091 0.000 -5.120) 5.235 5.600 ( 2.371 0.000 2.198) 3.233 5.646 ( 3.862 0.000 0.005) 3.862 5.685 ( -1.732 -0.000 0.781) 1.900 5.755 ( -6.458 -0.000 0.012) 6.458 5.998 ( 0.680 0.000 2.848) 2.928 6.047 ( 3.021 0.000 -0.295) 3.035 6.090 ( 3.663 0.000 -2.794) 4.607 6.137 ( 2.538 0.000 1.074) 2.756 6.347 ( -1.419 -0.000 -0.892) 1.676 6.388 ( -1.525 -0.000 -0.380) 1.572 6.879 ( -2.877 -0.000 0.685) 2.958 6.908 ( -2.006 -0.000 -0.847) 2.177 7.205 ( -1.394 -0.000 1.031) 1.733 7.236 ( -0.495 -0.000 -2.371) 2.422 7.385 ( -0.824 -0.000 4.267) 4.346 7.480 ( 1.745 0.000 -3.251) 3.690 7.693 ( 1.144 0.000 0.604) 1.294 7.752 ( 0.447 0.000 0.241) 0.508 8.056 ( 0.598 0.000 -2.515) 2.585 8.090 ( -3.097 -0.000 0.926) 3.233 8.200 ( -0.888 -0.000 0.424) 0.984 8.215 ( -3.220 -0.000 1.421) 3.520 8.376 ( 1.039 0.000 1.038) 1.469 8.468 ( -1.489 -0.000 -1.417) 2.055 10.968 ( -1.249 -0.000 2.726) 2.998 11.035 ( 0.696 0.000 -2.948) 3.029 11.547 ( -1.000 -0.000 1.558) 1.851 11.567 ( 0.491 0.000 -1.294) 1.384 12.958 ( 1.180 0.000 -0.586) 1.317 12.982 ( -1.700 -0.000 0.607) 1.805 14.632 ( 0.624 0.000 0.840) 1.046 14.669 ( -0.036 -0.000 -0.869) 0.870 15.568 ( -0.582 -0.000 3.265) 3.316 15.653 ( 3.463 0.000 -5.756) 6.718 15.887 ( 0.710 0.000 4.076) 4.137 15.970 ( 0.628 0.000 -1.560) 1.682 16.721 ( 3.906 0.000 -0.057) 3.907 16.792 ( -0.223 -0.000 0.096) 0.243 16.860 ( 0.071 0.000 2.694) 2.694 16.914 ( 1.731 0.000 -2.592) 3.117 ======================= Grid point 124 (57/70) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.247 -2.354 0.164) 2.373 0.829 ( 0.390 -2.352 0.118) 2.387 0.995 ( -0.536 0.278 0.418) 0.734 1.026 ( -1.000 0.517 -1.805) 2.127 1.110 ( 2.605 -3.241 2.741) 4.981 1.183 ( -0.226 -3.554 -2.694) 4.466 1.250 ( 2.017 0.088 3.736) 4.247 1.316 ( -3.735 -0.142 0.584) 3.783 1.323 ( 0.668 0.254 -0.558) 0.907 1.370 ( 0.619 -0.545 -2.174) 2.325 1.460 ( -0.143 -2.456 1.284) 2.775 1.494 ( 0.079 -2.310 -1.356) 2.680 1.624 ( -2.143 -0.269 1.974) 2.926 1.665 ( 2.950 0.161 -1.451) 3.292 1.704 ( -0.836 -0.094 1.307) 1.555 1.740 ( 0.148 0.676 -1.597) 1.740 1.847 ( -0.692 1.901 0.670) 2.131 1.865 ( 0.992 0.927 -0.931) 1.647 1.990 ( -0.864 1.092 2.789) 3.118 2.054 ( 0.453 -0.372 -2.635) 2.699 2.153 ( -0.964 -1.383 1.407) 2.196 2.186 ( 1.231 -1.942 -1.508) 2.750 2.375 ( -0.385 -0.158 1.472) 1.530 2.409 ( 0.281 -0.988 -1.349) 1.696 3.439 ( -1.862 0.098 0.810) 2.033 3.503 ( 1.527 -1.522 -4.320) 4.828 3.678 ( 1.881 4.722 4.807) 6.996 3.761 ( -2.310 1.003 -2.169) 3.323 4.121 ( 1.884 1.233 3.723) 4.351 4.197 ( -1.346 -1.488 -2.788) 3.435 4.551 ( 2.273 3.432 4.331) 5.975 4.661 ( -4.304 4.159 -4.588) 7.541 4.693 ( -1.895 0.022 2.869) 3.439 4.757 ( 4.333 1.843 -1.954) 5.098 4.926 ( 0.105 2.573 0.580) 2.640 4.944 ( -0.752 2.990 -0.789) 3.183 5.166 ( -0.206 1.357 2.701) 3.030 5.258 ( 0.102 -0.805 -5.339) 5.401 5.666 ( -0.366 -2.989 2.617) 3.990 5.680 ( -0.701 -0.671 1.447) 1.742 5.685 ( 0.518 -0.383 0.196) 0.674 5.740 ( 0.709 -4.598 -2.032) 5.077 5.991 ( 0.320 1.778 3.084) 3.574 6.062 ( -0.648 0.826 -2.602) 2.806 6.112 ( 1.568 0.694 1.008) 1.989 6.144 ( -1.170 -0.557 -1.456) 1.949 6.354 ( 1.845 -0.341 0.444) 1.928 6.371 ( -1.824 -0.653 -0.899) 2.136 6.883 ( 0.866 -1.626 1.138) 2.165 6.909 ( -0.729 -1.916 -1.022) 2.291 7.195 ( -1.236 -0.030 1.179) 1.709 7.235 ( 1.337 -0.562 -2.504) 2.893 7.392 ( -0.921 -0.163 4.170) 4.273 7.475 ( 0.786 0.656 -3.141) 3.304 7.713 ( 1.451 0.033 1.220) 1.896 7.736 ( -1.795 0.654 -0.767) 2.059 8.070 ( -3.098 -1.408 -0.540) 3.445 8.074 ( 3.344 -0.304 -0.886) 3.472 8.189 ( -1.442 0.659 1.145) 1.956 8.198 ( 1.448 0.793 0.531) 1.734 8.387 ( 1.276 0.779 2.206) 2.665 8.444 ( -1.270 0.243 -2.431) 2.753 10.966 ( -0.892 -0.067 2.630) 2.778 11.032 ( 1.019 0.185 -2.907) 3.086 11.534 ( -0.720 0.767 1.613) 1.926 11.568 ( 0.582 0.234 -1.290) 1.435 12.952 ( -0.652 1.623 0.342) 1.782 12.960 ( 0.650 1.222 -0.320) 1.421 14.636 ( 0.122 0.430 0.870) 0.978 14.657 ( -0.149 0.822 -0.862) 1.200 15.572 ( -1.464 -0.542 2.840) 3.241 15.661 ( 2.009 0.287 -5.124) 5.511 15.896 ( -0.343 0.907 4.272) 4.381 15.964 ( -0.127 0.551 -1.982) 2.061 16.679 ( -0.061 5.732 2.030) 6.081 16.736 ( 0.521 4.008 -2.902) 4.976 16.925 ( -1.371 -5.456 3.176) 6.460 16.988 ( 0.862 -5.720 -2.253) 6.208 ======================= Grid point 125 (58/70) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -1.152 -0.940 1.123) 1.863 0.879 ( -0.922 -2.824 -0.945) 3.117 0.979 ( -3.560 -1.753 -1.256) 4.162 0.996 ( -1.060 -0.656 0.413) 1.313 1.201 ( -0.497 -2.338 2.444) 3.419 1.223 ( -1.208 -2.789 -1.719) 3.492 1.272 ( -2.195 0.112 0.633) 2.288 1.290 ( -2.014 -1.798 0.185) 2.706 1.347 ( 1.344 -2.041 0.709) 2.544 1.389 ( 0.383 -2.680 -1.846) 3.277 1.500 ( -1.136 -2.219 -0.513) 2.545 1.549 ( 2.896 -2.000 0.901) 3.633 1.609 ( -2.552 -0.449 0.416) 2.624 1.675 ( -0.617 1.904 -0.458) 2.054 1.695 ( 0.144 0.837 0.624) 1.054 1.706 ( 0.975 1.120 -0.665) 1.627 1.788 ( -1.326 3.968 0.945) 4.289 1.851 ( 1.048 1.571 -2.210) 2.907 1.977 ( -1.103 0.495 4.601) 4.757 2.051 ( 0.079 -0.132 -3.572) 3.576 2.189 ( -0.830 -2.828 1.502) 3.308 2.238 ( 0.898 -3.397 -2.004) 4.045 2.383 ( -1.526 -1.509 2.256) 3.114 2.419 ( -0.913 -1.169 -1.684) 2.244 3.451 ( -1.553 -2.817 2.752) 4.234 3.528 ( 0.450 -1.317 -2.948) 3.260 3.627 ( 0.872 5.083 4.923) 7.130 3.657 ( -3.407 4.489 -5.009) 7.540 4.142 ( 0.876 1.481 4.879) 5.174 4.168 ( -2.599 0.220 -4.138) 4.892 4.499 ( -5.996 4.670 -2.741) 8.079 4.518 ( 1.414 3.950 3.462) 5.439 4.642 ( -5.678 2.500 -0.001) 6.205 4.726 ( -1.045 2.344 -1.093) 2.790 4.893 ( 3.298 3.401 -0.020) 4.737 4.908 ( 3.277 2.446 0.046) 4.089 5.148 ( -1.934 0.305 4.891) 5.269 5.260 ( 0.142 -1.350 -5.962) 6.115 5.654 ( -2.821 -0.724 0.357) 2.934 5.704 ( -0.615 -1.782 0.074) 1.887 5.733 ( -0.965 -1.302 2.822) 3.255 5.845 ( 2.774 -4.579 -2.378) 5.858 5.957 ( -1.442 2.219 2.175) 3.426 6.016 ( 0.369 2.001 -2.140) 2.952 6.076 ( -3.384 0.792 0.295) 3.488 6.168 ( 3.689 0.510 0.304) 3.736 6.353 ( -2.423 -0.651 -0.745) 2.618 6.383 ( 0.776 -0.084 0.253) 0.821 6.950 ( 1.209 -2.877 -1.141) 3.323 6.952 ( 2.771 -2.951 0.989) 4.167 7.187 ( -2.152 -0.650 1.316) 2.604 7.266 ( 2.478 -1.420 -2.087) 3.537 7.380 ( -3.126 0.928 2.384) 4.040 7.461 ( 0.874 1.124 -1.466) 2.043 7.700 ( -1.126 0.178 0.001) 1.140 7.732 ( 1.475 0.375 0.366) 1.565 8.074 ( -1.575 -2.303 -1.292) 3.075 8.119 ( 3.891 -0.221 0.532) 3.933 8.171 ( -0.178 0.742 0.524) 0.926 8.207 ( 2.890 0.931 0.301) 3.051 8.387 ( 0.482 1.195 2.515) 2.826 8.424 ( -0.130 0.119 -2.741) 2.746 10.969 ( -0.553 -0.184 2.256) 2.330 11.031 ( 1.227 0.243 -2.569) 2.858 11.521 ( -0.300 0.674 1.952) 2.087 11.559 ( 0.497 0.936 -1.594) 1.914 12.907 ( -1.157 2.313 0.163) 2.591 12.940 ( 1.337 2.274 -0.172) 2.644 14.622 ( -0.646 1.081 0.550) 1.374 14.640 ( 0.089 0.796 -0.492) 0.940 15.575 ( -2.063 -1.032 1.953) 3.022 15.652 ( 0.716 0.584 -3.890) 3.998 15.869 ( -1.913 2.566 3.958) 5.090 15.934 ( 0.184 2.205 -2.053) 3.019 16.581 ( -2.218 4.656 3.086) 6.010 16.662 ( -0.320 2.963 -4.221) 5.167 16.994 ( -4.631 -4.843 2.541) 7.166 17.104 ( 2.799 -5.912 -1.367) 6.682 ======================= Grid point 126 (59/70) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -4.173 1.434 0.296) 4.422 0.891 ( -1.380 -0.453 0.024) 1.453 0.995 ( -2.510 -3.496 -1.382) 4.520 1.023 ( -1.766 -2.232 1.616) 3.273 1.203 ( -3.236 0.606 3.204) 4.594 1.230 ( -2.835 -2.280 -5.111) 6.274 1.252 ( -0.099 -0.833 -1.836) 2.018 1.310 ( -1.635 -1.650 1.310) 2.667 1.395 ( -0.341 -2.938 0.710) 3.042 1.436 ( -2.730 -2.384 1.615) 3.969 1.505 ( -0.383 1.256 0.179) 1.325 1.563 ( -0.990 2.561 -1.271) 3.026 1.608 ( -0.809 0.995 -0.200) 1.298 1.638 ( 2.394 -1.902 0.297) 3.072 1.692 ( 2.217 3.865 -1.078) 4.584 1.707 ( -2.183 -0.007 1.742) 2.793 1.710 ( 1.921 1.760 0.065) 2.606 1.819 ( 0.207 1.614 -2.259) 2.784 1.977 ( -0.861 -0.163 3.726) 3.827 2.042 ( 0.116 -0.180 -2.551) 2.560 2.227 ( -1.795 -2.622 1.266) 3.421 2.305 ( 0.304 -3.404 -0.964) 3.551 2.418 ( -0.841 -2.469 1.195) 2.869 2.424 ( -1.327 -2.087 -0.742) 2.582 3.495 ( -4.149 -1.927 -7.183) 8.516 3.509 ( -2.042 -0.029 4.132) 4.609 3.554 ( -1.169 5.447 4.326) 7.053 3.577 ( 0.946 -0.532 -1.493) 1.846 4.068 ( -2.010 5.139 1.514) 5.722 4.160 ( -0.321 -0.599 -1.854) 1.975 4.356 ( -5.069 4.002 -0.776) 6.505 4.472 ( -4.813 4.666 1.634) 6.900 4.537 ( 1.911 2.339 0.568) 3.073 4.681 ( -2.411 0.187 -1.025) 2.626 4.880 ( 3.520 2.644 0.295) 4.412 4.904 ( 4.198 2.622 0.129) 4.951 5.159 ( -1.280 -1.651 4.763) 5.201 5.261 ( -0.078 -0.753 -6.365) 6.409 5.640 ( -2.658 -0.641 -0.082) 2.735 5.711 ( -1.736 1.655 1.841) 3.024 5.731 ( -2.856 -2.900 0.693) 4.129 5.884 ( -0.693 0.331 -0.674) 1.022 5.949 ( 0.567 0.543 1.207) 1.440 5.999 ( 2.098 -0.765 -4.695) 5.199 6.048 ( 1.752 1.865 2.754) 3.759 6.184 ( 3.117 2.038 0.892) 3.830 6.331 ( -3.039 -0.525 -1.118) 3.281 6.380 ( -1.076 -0.066 0.752) 1.314 7.009 ( 1.676 -2.660 -2.391) 3.950 7.033 ( 2.684 -2.105 1.238) 3.629 7.183 ( -3.112 -1.746 0.701) 3.637 7.313 ( -0.282 -0.528 -0.596) 0.844 7.318 ( -1.844 0.803 0.492) 2.071 7.428 ( -0.686 2.461 -0.283) 2.570 7.715 ( 1.324 -1.241 0.367) 1.851 7.742 ( 1.869 0.386 0.348) 1.940 8.104 ( 0.178 -2.008 -0.879) 2.199 8.151 ( 2.735 1.169 1.573) 3.365 8.170 ( 0.008 -1.112 -1.198) 1.634 8.232 ( 2.948 -0.110 0.768) 3.049 8.376 ( -0.130 0.895 1.628) 1.862 8.418 ( 0.591 0.077 -2.061) 2.145 10.976 ( -0.328 -0.412 1.762) 1.839 11.032 ( 1.124 0.233 -1.954) 2.266 11.518 ( 0.145 0.250 1.927) 1.948 11.537 ( 0.200 1.333 -1.692) 2.163 12.856 ( -1.099 2.092 0.285) 2.380 12.911 ( 1.090 2.354 -0.315) 2.613 14.598 ( -0.822 0.817 0.715) 1.362 14.625 ( 0.105 0.827 -0.692) 1.083 15.580 ( -2.016 -1.587 1.048) 2.772 15.633 ( -0.069 0.812 -2.214) 2.359 15.795 ( -2.690 3.907 1.721) 5.047 15.878 ( 0.733 4.164 -0.634) 4.276 16.502 ( -2.909 2.475 3.963) 5.504 16.606 ( -0.122 1.483 -5.174) 5.384 17.018 ( -5.488 -3.251 1.903) 6.656 17.225 ( 3.273 -4.368 -0.598) 5.491 ======================= Grid point 127 (60/70) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -5.401 1.978 0.618) 5.785 0.882 ( -1.074 0.060 0.591) 1.228 1.005 ( -2.626 -0.120 0.456) 2.668 1.020 ( -2.429 -0.797 -1.325) 2.880 1.147 ( -2.850 2.133 1.737) 3.961 1.237 ( 0.613 -0.780 -4.383) 4.494 1.293 ( -1.472 -5.651 -1.846) 6.124 1.332 ( -0.773 -1.302 0.759) 1.694 1.384 ( -0.195 3.254 2.072) 3.862 1.434 ( -2.540 3.753 0.640) 4.576 1.468 ( -0.452 -2.515 -0.104) 2.557 1.541 ( -0.421 -0.005 -0.581) 0.717 1.574 ( 0.282 1.340 0.868) 1.621 1.629 ( 1.273 2.895 -0.424) 3.191 1.676 ( -1.384 1.473 0.922) 2.222 1.689 ( 0.095 0.437 -0.987) 1.084 1.727 ( 1.618 -1.661 1.133) 2.581 1.804 ( 0.797 0.422 -0.533) 1.047 1.982 ( -0.499 -0.294 -4.518) 4.555 2.060 ( 2.055 -0.798 3.832) 4.421 2.255 ( -1.131 -1.548 1.535) 2.456 2.327 ( -1.035 0.341 0.356) 1.146 2.431 ( -0.287 -0.959 -2.014) 2.249 2.475 ( -0.093 -2.215 1.697) 2.792 3.423 ( -1.854 5.220 3.566) 6.587 3.459 ( -1.429 3.147 -1.098) 3.626 3.520 ( -3.703 -5.581 -8.112) 10.520 3.630 ( 0.197 -3.034 2.152) 3.725 3.966 ( -0.099 6.085 5.098) 7.939 4.164 ( 1.362 -0.167 -4.619) 4.819 4.252 ( -3.247 2.675 0.410) 4.227 4.342 ( -4.575 2.913 1.484) 5.623 4.556 ( 5.472 2.014 0.870) 5.896 4.662 ( -1.886 -0.517 0.583) 2.041 4.868 ( 1.681 1.630 0.018) 2.341 4.914 ( 4.913 1.916 0.548) 5.302 5.182 ( -1.373 -0.202 0.473) 1.466 5.251 ( -0.159 -1.191 -3.977) 4.154 5.623 ( -2.172 -0.547 -0.186) 2.248 5.671 ( -1.948 0.524 0.621) 2.111 5.765 ( -0.771 -2.343 1.508) 2.891 5.855 ( -1.725 1.292 0.527) 2.219 5.933 ( 0.469 1.847 2.936) 3.500 6.014 ( 2.694 1.334 -1.056) 3.187 6.071 ( 3.580 -0.740 -3.078) 4.778 6.172 ( 2.075 2.227 0.464) 3.079 6.307 ( -1.828 -0.035 0.192) 1.838 6.379 ( -1.975 -1.262 0.759) 2.463 7.052 ( 1.087 -1.354 -2.373) 2.941 7.079 ( 0.243 -1.219 -0.114) 1.248 7.187 ( -2.054 -1.569 -0.089) 2.586 7.240 ( -3.296 1.925 -0.094) 3.818 7.358 ( 1.282 -0.702 1.472) 2.074 7.377 ( -0.634 1.870 -0.431) 2.021 7.743 ( 1.212 -0.256 -0.569) 1.363 7.771 ( 2.109 -0.633 1.480) 2.653 8.130 ( 0.286 -0.941 -0.198) 1.004 8.155 ( 1.360 1.205 1.204) 2.179 8.200 ( -0.874 -3.182 -2.032) 3.875 8.270 ( 1.801 -0.792 1.847) 2.699 8.363 ( -0.640 0.751 0.986) 1.395 8.420 ( 0.641 -0.374 -1.908) 2.047 10.987 ( -0.280 -0.596 1.425) 1.570 11.033 ( 0.709 0.204 -1.447) 1.624 11.510 ( -0.130 1.091 -1.067) 1.532 11.528 ( 0.429 -0.351 1.143) 1.270 12.821 ( -0.777 0.753 0.522) 1.201 12.885 ( 0.761 1.330 -0.566) 1.634 14.585 ( -0.687 0.100 0.994) 1.213 14.610 ( 0.342 0.799 -1.045) 1.359 15.599 ( -1.141 -2.233 0.626) 2.585 15.610 ( -0.247 1.025 -0.477) 1.157 15.701 ( -1.336 4.379 -0.758) 4.641 15.818 ( 0.950 2.906 0.558) 3.108 16.460 ( -1.921 1.285 4.310) 4.891 16.574 ( 1.218 0.904 -5.654) 5.854 17.008 ( -4.347 -0.888 1.677) 4.744 17.308 ( 2.536 -1.558 -0.228) 2.985 ======================= Grid point 133 (61/70) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.499 -0.000 -0.444) 1.564 0.808 ( -0.179 -0.000 0.556) 0.584 0.967 ( -5.592 -0.000 0.177) 5.595 1.033 ( -0.775 -0.000 1.873) 2.027 1.089 ( -0.857 -0.000 1.129) 1.417 1.118 ( -1.036 -0.000 -5.449) 5.546 1.266 ( -5.237 -0.000 0.490) 5.260 1.286 ( 0.685 0.000 2.766) 2.850 1.347 ( -1.648 -0.000 2.390) 2.903 1.347 ( 0.437 0.000 -1.325) 1.396 1.451 ( 1.540 0.000 -2.185) 2.673 1.478 ( 3.345 0.000 0.044) 3.345 1.598 ( -3.299 -0.000 1.669) 3.697 1.681 ( -1.837 -0.000 -0.259) 1.855 1.700 ( 2.285 0.000 0.158) 2.291 1.734 ( -1.364 -0.000 -1.924) 2.358 1.852 ( -1.341 -0.000 0.503) 1.432 1.876 ( -0.064 -0.000 -0.046) 0.078 2.002 ( -0.468 -0.000 1.907) 1.963 2.054 ( 1.084 0.000 -2.108) 2.371 2.135 ( -0.671 -0.000 0.959) 1.170 2.184 ( 1.943 0.000 -0.980) 2.176 2.368 ( -1.962 -0.000 0.871) 2.146 2.389 ( -1.344 -0.000 -0.887) 1.610 3.403 ( -3.479 -0.000 0.167) 3.483 3.504 ( 2.490 0.000 -2.851) 3.786 3.750 ( -0.233 -0.000 2.198) 2.210 3.753 ( -0.849 -0.000 0.868) 1.214 4.134 ( -1.869 -0.000 1.610) 2.467 4.164 ( -0.920 -0.000 -1.620) 1.863 4.598 ( -3.500 -0.000 4.635) 5.808 4.627 ( -7.119 -0.000 -4.651) 8.504 4.664 ( -3.672 -0.000 3.955) 5.397 4.775 ( -1.526 -0.000 -3.352) 3.683 4.967 ( 2.174 0.000 0.679) 2.277 4.997 ( 4.775 0.000 -0.485) 4.799 5.176 ( -2.359 -0.000 2.252) 3.261 5.221 ( -2.002 -0.000 -4.335) 4.775 5.624 ( -4.962 -0.000 -0.062) 4.962 5.628 ( -1.564 -0.000 1.359) 2.072 5.717 ( 2.795 0.000 -1.981) 3.426 5.734 ( 5.549 0.000 2.512) 6.091 6.011 ( -1.099 -0.000 2.546) 2.773 6.061 ( -0.257 -0.000 -1.692) 1.711 6.073 ( -6.092 -0.000 -1.113) 6.193 6.147 ( -0.250 -0.000 -0.028) 0.251 6.347 ( -0.322 -0.000 -1.097) 1.144 6.375 ( 2.083 0.000 0.567) 2.159 6.887 ( 2.297 0.000 0.903) 2.468 6.899 ( 2.135 0.000 -0.982) 2.350 7.199 ( 0.707 0.000 1.046) 1.262 7.237 ( 1.929 0.000 -2.049) 2.814 7.394 ( -1.190 -0.000 4.270) 4.433 7.472 ( -0.026 -0.000 -3.423) 3.423 7.711 ( -2.913 -0.000 -1.007) 3.082 7.736 ( 1.256 0.000 1.701) 2.115 8.027 ( -1.980 -0.000 -0.172) 1.988 8.113 ( 4.905 0.000 -1.268) 5.067 8.195 ( 0.542 0.000 1.172) 1.292 8.232 ( 3.312 0.000 0.128) 3.315 8.419 ( 1.714 0.000 2.616) 3.128 8.421 ( -1.553 -0.000 -2.730) 3.141 10.968 ( -0.444 -0.000 2.676) 2.713 11.036 ( 1.259 0.000 -2.971) 3.226 11.535 ( -0.861 -0.000 1.311) 1.568 11.577 ( 1.079 0.000 -0.975) 1.454 12.953 ( -1.191 -0.000 -0.202) 1.208 12.987 ( 1.688 0.000 0.219) 1.702 14.644 ( -0.093 -0.000 1.199) 1.203 14.657 ( -0.568 -0.000 -1.183) 1.312 15.555 ( -2.672 -0.000 2.962) 3.989 15.662 ( 0.972 0.000 -5.153) 5.244 15.908 ( -1.225 -0.000 4.221) 4.395 15.955 ( -1.035 -0.000 -2.128) 2.366 16.740 ( -3.798 -0.000 -1.553) 4.104 16.783 ( 1.625 0.000 0.777) 1.802 16.844 ( -3.102 -0.000 3.202) 4.458 16.918 ( -0.343 -0.000 -2.245) 2.271 ======================= Grid point 134 (62/70) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.797 -2.922 -0.857) 3.536 0.819 ( -1.552 -2.158 0.269) 2.672 0.910 ( -5.780 -0.807 0.597) 5.866 0.982 ( -3.361 1.754 1.782) 4.189 1.103 ( -3.342 -3.100 -4.653) 6.513 1.149 ( -1.245 -4.603 -0.239) 4.774 1.217 ( -5.809 -0.812 0.835) 5.924 1.272 ( -2.249 -0.005 0.076) 2.250 1.347 ( -0.049 -0.232 3.498) 3.506 1.357 ( 0.567 -0.942 -1.078) 1.540 1.471 ( 1.466 -0.905 -2.132) 2.741 1.539 ( 1.433 -2.409 2.032) 3.462 1.574 ( -1.329 -0.538 0.125) 1.439 1.662 ( -2.978 -1.044 0.126) 3.159 1.695 ( -3.093 1.012 -0.513) 3.294 1.729 ( 2.361 -0.181 -1.020) 2.579 1.828 ( -1.395 1.415 0.072) 1.988 1.863 ( -0.993 0.843 -0.433) 1.372 1.992 ( -0.586 0.905 2.480) 2.704 2.054 ( 0.711 0.572 -2.047) 2.241 2.146 ( -0.541 -1.676 0.870) 1.964 2.206 ( 1.400 -0.758 -1.526) 2.206 2.343 ( -3.755 -0.728 1.580) 4.139 2.380 ( -1.932 -1.074 -1.048) 2.446 3.390 ( -2.196 -1.682 0.796) 2.878 3.513 ( 0.097 0.215 -1.014) 1.041 3.688 ( -2.536 4.312 -3.452) 6.078 3.737 ( 0.388 2.680 4.986) 5.674 4.113 ( -3.766 -0.166 -2.588) 4.572 4.155 ( -1.806 -0.829 1.933) 2.772 4.485 ( -8.508 3.238 -2.052) 9.332 4.557 ( -6.816 -0.341 1.001) 6.897 4.628 ( -2.209 2.395 4.248) 5.354 4.720 ( -4.646 1.528 -2.874) 5.673 4.972 ( 1.965 2.184 0.624) 3.003 5.010 ( 4.025 3.414 -0.330) 5.288 5.145 ( -2.945 0.446 4.051) 5.028 5.201 ( -1.655 -1.620 -4.901) 5.421 5.611 ( -1.929 -1.991 1.275) 3.051 5.635 ( -1.691 -1.753 -0.094) 2.438 5.749 ( 1.621 -1.186 -1.909) 2.771 5.807 ( 3.627 -1.364 1.717) 4.238 5.972 ( -2.940 1.894 -0.029) 3.497 6.008 ( -3.140 0.557 -0.159) 3.193 6.064 ( -0.170 -1.087 -0.092) 1.104 6.154 ( -2.659 -2.740 -0.729) 3.887 6.343 ( 0.860 0.887 0.118) 1.241 6.391 ( 0.398 0.052 0.028) 0.402 6.924 ( 2.621 -1.232 -0.866) 3.023 6.951 ( 4.176 -1.989 0.511) 4.653 7.200 ( 1.074 1.693 1.712) 2.636 7.263 ( 2.440 -0.915 -2.060) 3.322 7.377 ( -2.727 1.325 2.511) 3.936 7.463 ( -0.564 -0.301 -2.084) 2.180 7.686 ( -1.185 -0.316 0.080) 1.229 7.748 ( 0.266 -0.105 0.620) 0.683 8.031 ( 0.415 -1.244 0.183) 1.324 8.160 ( 4.536 -0.112 -1.529) 4.788 8.204 ( 2.257 1.078 1.279) 2.809 8.264 ( 4.258 1.021 -0.042) 4.379 8.396 ( -0.958 0.137 -2.694) 2.862 8.438 ( 1.529 0.765 2.494) 3.024 10.973 ( -0.100 0.092 2.474) 2.478 11.039 ( 1.383 0.109 -2.807) 3.131 11.530 ( -0.537 0.258 1.514) 1.627 11.578 ( 0.994 0.750 -1.132) 1.683 12.928 ( -1.005 1.452 -0.362) 1.803 12.992 ( 1.691 1.622 0.350) 2.369 14.633 ( -0.940 0.950 0.072) 1.339 14.647 ( -0.338 0.239 0.005) 0.414 15.538 ( -3.461 -0.715 2.427) 4.287 15.649 ( 0.095 0.191 -4.545) 4.550 15.889 ( -2.775 1.559 3.217) 4.526 15.940 ( -0.876 -0.381 -1.245) 1.569 16.643 ( -3.960 4.344 0.362) 5.889 16.705 ( -2.158 5.592 -1.571) 6.196 16.867 ( -4.887 -4.343 2.043) 6.849 17.004 ( 0.941 -7.717 -0.615) 7.799 ======================= Grid point 135 (63/70) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -3.176 -0.011 -1.450) 3.491 0.866 ( -1.837 -0.724 2.620) 3.281 0.887 ( -4.051 -4.886 -0.117) 6.348 0.963 ( -2.746 -2.293 1.369) 3.830 1.098 ( -6.066 -4.070 -5.544) 9.170 1.170 ( -6.558 -0.666 2.942) 7.219 1.198 ( -1.497 -3.299 -3.148) 4.799 1.276 ( 0.432 -0.001 -0.045) 0.434 1.338 ( -3.369 -3.235 -0.806) 4.739 1.403 ( 0.281 -0.966 3.854) 3.983 1.495 ( 0.311 -1.533 -0.985) 1.848 1.570 ( -0.739 -1.733 -1.165) 2.215 1.617 ( 1.829 -1.335 2.129) 3.108 1.627 ( -2.393 1.432 -0.702) 2.876 1.675 ( -0.994 -1.750 0.236) 2.026 1.747 ( 1.765 0.324 -1.011) 2.060 1.772 ( -0.788 3.508 0.033) 3.595 1.822 ( -2.407 0.922 -1.500) 2.982 1.982 ( -0.205 0.767 1.020) 1.293 2.038 ( -0.826 0.173 0.661) 1.071 2.174 ( -1.225 -1.972 0.633) 2.406 2.238 ( 0.182 -3.075 -1.421) 3.393 2.345 ( -3.541 -3.401 1.971) 5.291 2.378 ( -1.573 -1.339 -0.992) 2.291 3.394 ( -2.907 -1.167 -3.638) 4.801 3.502 ( -1.842 0.122 4.003) 4.408 3.579 ( -0.952 2.764 -5.905) 6.589 3.692 ( 0.065 5.407 7.999) 9.655 4.064 ( -3.594 -0.821 -5.603) 6.707 4.132 ( -4.881 0.654 3.277) 5.915 4.354 ( -5.982 2.567 -0.357) 6.519 4.476 ( -7.492 1.897 -0.449) 7.741 4.597 ( 1.455 1.136 3.582) 4.030 4.628 ( -6.131 0.390 -1.828) 6.409 4.941 ( -0.260 2.237 0.138) 2.256 4.985 ( 2.076 2.468 -0.263) 3.235 5.145 ( -0.391 -0.649 4.713) 4.773 5.206 ( -0.764 -2.054 -5.736) 6.140 5.617 ( -1.265 0.362 -0.111) 1.321 5.658 ( -0.972 -2.668 2.301) 3.655 5.745 ( -0.300 2.235 0.293) 2.274 5.857 ( -0.213 -2.443 -1.313) 2.782 5.948 ( 0.282 -0.551 -1.793) 1.897 5.977 ( -1.045 -0.126 -1.686) 1.988 6.093 ( 1.172 -0.621 3.354) 3.607 6.171 ( -3.780 -2.964 -0.872) 4.882 6.337 ( 1.597 1.369 1.351) 2.500 6.375 ( -1.270 0.953 -0.712) 1.740 6.978 ( 2.318 -2.442 -2.136) 3.988 7.030 ( 3.379 -1.616 0.639) 3.800 7.179 ( 0.339 1.982 2.233) 3.005 7.302 ( 2.055 -1.284 -2.482) 3.468 7.316 ( -3.212 1.948 1.217) 3.949 7.441 ( -2.118 0.866 -0.653) 2.380 7.704 ( 0.807 -1.307 0.801) 1.733 7.758 ( 0.742 -0.547 0.342) 0.983 8.072 ( 1.962 -1.731 -0.122) 2.620 8.185 ( 2.471 1.112 -1.367) 3.035 8.220 ( 3.916 1.407 1.491) 4.420 8.282 ( 3.481 1.500 0.442) 3.816 8.383 ( 0.443 0.028 -2.772) 2.807 8.440 ( 1.072 1.447 1.998) 2.690 10.978 ( 0.044 0.101 2.104) 2.107 11.042 ( 1.311 0.217 -2.343) 2.693 11.527 ( -0.153 0.193 1.450) 1.471 11.563 ( 0.569 1.521 -1.152) 1.990 12.883 ( -1.055 2.243 -0.151) 2.484 12.969 ( 1.217 2.819 0.137) 3.074 14.603 ( -1.376 0.919 0.115) 1.658 14.636 ( -0.211 0.616 -0.049) 0.653 15.528 ( -3.414 -1.639 1.540) 4.088 15.631 ( -0.300 0.239 -3.396) 3.417 15.822 ( -4.065 2.689 1.835) 5.207 15.928 ( -0.379 1.404 -0.065) 1.456 16.527 ( -4.846 3.927 3.056) 6.946 16.600 ( -2.771 1.733 -4.385) 5.469 16.896 ( -5.492 -4.660 1.548) 7.367 17.152 ( 2.043 -7.132 -0.110) 7.420 ======================= Grid point 136 (64/70) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -3.695 2.417 0.751) 4.478 0.865 ( -1.411 -1.320 1.475) 2.430 0.942 ( -1.707 -3.703 -1.327) 4.288 0.965 ( -4.121 -1.581 0.425) 4.435 1.112 ( -4.192 -2.445 -0.416) 4.871 1.141 ( -4.765 -5.936 0.255) 7.617 1.221 ( 0.338 -1.325 -3.386) 3.652 1.280 ( -0.515 -2.079 -0.622) 2.230 1.389 ( -1.965 -3.688 -0.075) 4.180 1.431 ( 1.226 -0.605 2.279) 2.658 1.486 ( -0.596 2.072 -0.297) 2.177 1.574 ( 0.485 0.792 -1.094) 1.434 1.583 ( 0.138 1.622 0.038) 1.628 1.653 ( -2.487 -0.113 1.503) 2.908 1.681 ( 0.436 0.075 -0.009) 0.443 1.719 ( 0.680 1.252 -0.529) 1.520 1.723 ( -2.329 1.972 0.854) 3.169 1.817 ( 1.892 -0.612 -1.223) 2.334 1.966 ( -0.092 0.474 -3.925) 3.955 2.058 ( 0.058 -2.256 4.049) 4.635 2.207 ( -0.640 -3.108 0.478) 3.208 2.292 ( -1.198 -3.035 0.312) 3.278 2.380 ( -1.466 -3.010 -1.923) 3.861 2.411 ( -1.044 -4.313 2.285) 4.991 3.366 ( -2.231 -2.367 -6.644) 7.398 3.450 ( -3.515 1.692 -2.484) 4.625 3.581 ( 1.026 2.360 4.398) 5.096 3.607 ( -0.233 3.371 5.587) 6.529 4.036 ( -1.526 0.524 -1.414) 2.146 4.086 ( -5.367 -2.461 -0.440) 5.920 4.260 ( -3.771 2.425 0.262) 4.491 4.358 ( -4.842 2.950 0.441) 5.687 4.585 ( -5.920 -2.937 -1.333) 6.742 4.632 ( 3.576 -0.059 2.476) 4.350 4.898 ( -1.517 1.524 0.215) 2.161 4.967 ( -0.089 0.928 -0.245) 0.964 5.174 ( 0.893 -0.432 1.279) 1.619 5.212 ( -0.024 -1.361 -4.136) 4.354 5.599 ( -0.413 -0.120 -0.673) 0.798 5.683 ( -0.805 1.799 2.081) 2.866 5.726 ( 0.248 -2.071 3.244) 3.856 5.863 ( -0.765 0.918 -1.386) 1.829 5.947 ( -1.381 -0.415 1.143) 1.840 5.994 ( 1.055 -2.733 -6.233) 6.887 6.113 ( 0.485 1.191 3.067) 3.326 6.166 ( -3.868 -1.518 0.360) 4.171 6.337 ( 0.602 0.823 0.414) 1.101 6.349 ( 0.666 0.751 0.473) 1.109 7.032 ( 1.143 -2.176 -2.866) 3.776 7.071 ( 1.894 -0.095 -0.082) 1.898 7.163 ( -0.052 0.381 1.374) 1.427 7.242 ( -2.752 2.055 0.271) 3.445 7.355 ( 2.327 -1.712 -0.927) 3.034 7.394 ( -2.270 1.487 0.336) 2.734 7.733 ( 0.076 -1.170 0.057) 1.174 7.786 ( 1.424 -0.649 1.260) 2.009 8.120 ( 1.746 -1.331 -0.464) 2.244 8.178 ( 1.459 1.267 -1.285) 2.321 8.226 ( 3.180 3.019 1.703) 4.704 8.297 ( 1.970 0.197 1.147) 2.288 8.379 ( 1.125 0.938 -2.017) 2.493 8.428 ( 0.538 1.208 0.608) 1.455 10.984 ( 0.018 -0.080 1.736) 1.738 11.042 ( 0.958 0.422 -1.792) 2.075 11.526 ( 0.166 0.646 -0.896) 1.118 11.536 ( -0.027 1.050 1.008) 1.456 12.836 ( -0.986 1.768 0.363) 2.057 12.926 ( 0.522 2.774 -0.359) 2.845 14.579 ( -1.344 0.230 0.504) 1.454 14.623 ( 0.152 0.666 -0.529) 0.864 15.539 ( -2.378 -2.776 0.916) 3.768 15.615 ( -0.200 0.220 -2.014) 2.036 15.737 ( -3.489 2.713 0.766) 4.486 15.873 ( -1.457 3.432 0.281) 3.739 16.453 ( -4.220 0.314 4.077) 5.876 16.558 ( -0.915 -0.671 -5.516) 5.631 16.928 ( -3.737 -4.036 1.702) 5.757 17.275 ( 1.626 -4.536 -0.238) 4.824 ======================= Grid point 143 (65/70) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -4.226 -0.000 -1.096) 4.366 0.793 ( -1.790 -0.000 1.268) 2.193 0.846 ( -4.418 -0.000 0.401) 4.436 0.983 ( -5.134 -0.000 3.244) 6.073 1.029 ( -2.914 -0.000 -7.696) 8.229 1.049 ( -3.664 -0.000 -0.265) 3.674 1.146 ( -6.985 -0.000 1.362) 7.116 1.235 ( -5.063 -0.000 2.265) 5.547 1.339 ( 0.624 0.000 -3.705) 3.758 1.369 ( 0.730 0.000 3.713) 3.784 1.472 ( 1.005 0.000 -2.742) 2.920 1.510 ( -3.931 -0.000 3.777) 5.452 1.587 ( 3.907 0.000 0.292) 3.918 1.609 ( -4.291 -0.000 -0.054) 4.292 1.649 ( -5.914 -0.000 -1.059) 6.008 1.747 ( 1.811 0.000 -1.178) 2.160 1.817 ( -2.340 -0.000 0.321) 2.362 1.859 ( -1.841 -0.000 -0.025) 1.841 1.998 ( -1.363 -0.000 1.797) 2.255 2.059 ( 0.310 0.000 -2.716) 2.734 2.127 ( -1.347 -0.000 0.939) 1.642 2.216 ( 1.528 0.000 -1.700) 2.286 2.288 ( -5.735 -0.000 0.892) 5.804 2.348 ( -1.619 -0.000 0.193) 1.631 3.368 ( -0.400 -0.000 2.594) 2.624 3.514 ( -0.783 -0.000 0.525) 0.943 3.699 ( -4.076 -0.000 -1.333) 4.288 3.748 ( -0.465 -0.000 -1.098) 1.192 4.095 ( -3.116 -0.000 3.900) 4.992 4.097 ( -4.405 -0.000 -3.732) 5.774 4.419 ( -9.251 -0.000 -3.570) 9.916 4.446 ( -9.368 -0.000 1.251) 9.451 4.643 ( -3.527 -0.000 5.740) 6.736 4.664 ( -6.688 -0.000 -3.421) 7.512 4.999 ( -1.913 -0.000 1.151) 2.232 5.045 ( -2.205 -0.000 -2.025) 2.994 5.132 ( -1.995 -0.000 5.499) 5.849 5.188 ( 3.495 0.000 -3.056) 4.643 5.584 ( 1.006 0.000 0.896) 1.348 5.615 ( 0.665 0.000 -1.173) 1.348 5.732 ( 0.301 0.000 -1.830) 1.854 5.855 ( 2.794 0.000 3.064) 4.147 5.965 ( -1.992 -0.000 -0.122) 1.996 5.999 ( -1.435 -0.000 1.669) 2.201 6.012 ( -3.314 -0.000 -3.219) 4.620 6.084 ( -2.938 -0.000 -1.965) 3.534 6.369 ( 1.114 0.000 1.134) 1.590 6.390 ( -0.694 -0.000 -0.117) 0.704 6.945 ( 2.449 0.000 0.647) 2.533 6.985 ( 5.987 0.000 -0.041) 5.987 7.245 ( 2.207 0.000 1.174) 2.500 7.275 ( 2.664 0.000 -2.041) 3.356 7.369 ( -3.802 -0.000 2.839) 4.745 7.438 ( -1.453 -0.000 -2.615) 2.991 7.677 ( 0.499 0.000 0.957) 1.079 7.741 ( -0.724 -0.000 -0.638) 0.965 8.044 ( 3.053 0.000 1.817) 3.553 8.200 ( 4.489 0.000 -2.182) 4.991 8.245 ( 2.856 0.000 0.320) 2.874 8.322 ( 5.083 0.000 -0.374) 5.097 8.379 ( -0.422 -0.000 -2.246) 2.286 8.472 ( 1.609 0.000 2.741) 3.178 10.983 ( 0.251 0.000 2.455) 2.468 11.045 ( 1.343 0.000 -2.819) 3.123 11.532 ( -0.405 -0.000 1.652) 1.701 11.592 ( 0.977 0.000 -1.219) 1.562 12.931 ( -0.778 -0.000 -0.670) 1.027 13.027 ( 1.853 0.000 0.632) 1.957 14.628 ( -1.347 -0.000 -1.386) 1.933 14.645 ( -0.660 -0.000 1.570) 1.703 15.497 ( -4.319 -0.000 2.184) 4.839 15.634 ( -0.445 -0.000 -4.525) 4.547 15.897 ( -2.363 -0.000 4.556) 5.133 15.899 ( -2.713 -0.000 -2.728) 3.847 16.625 ( -6.121 -0.000 -1.646) 6.339 16.745 ( -5.214 -0.000 0.330) 5.225 16.836 ( -0.056 -0.000 4.271) 4.271 16.865 ( -3.209 -0.000 -2.389) 4.000 ======================= Grid point 144 (66/70) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -4.828 -5.146 -0.277) 7.061 0.771 ( -2.753 -0.180 0.671) 2.839 0.837 ( -2.260 -1.769 2.041) 3.522 0.919 ( -3.433 1.104 1.959) 4.104 0.947 ( -8.155 -2.064 -6.462) 10.608 1.073 ( -6.307 -1.722 -0.204) 6.541 1.123 ( -1.847 -5.332 -0.015) 5.643 1.213 ( -3.497 -3.251 1.044) 4.888 1.315 ( -0.505 2.073 -2.762) 3.490 1.390 ( -2.281 -0.318 3.993) 4.609 1.462 ( -0.386 -1.521 -1.086) 1.908 1.516 ( -1.413 -2.789 0.874) 3.247 1.572 ( -4.724 -1.367 -0.075) 4.918 1.601 ( -4.846 -2.115 0.030) 5.288 1.648 ( 3.378 -1.670 0.216) 3.774 1.757 ( 0.628 -0.125 -1.031) 1.214 1.786 ( -2.510 0.526 0.149) 2.568 1.811 ( -3.930 1.952 -0.508) 4.417 1.992 ( -1.250 -0.448 2.326) 2.678 2.027 ( -2.674 1.187 -2.552) 3.882 2.127 ( -1.983 -1.890 0.671) 2.820 2.214 ( 0.191 0.152 -1.376) 1.397 2.255 ( -4.312 -1.994 0.723) 4.805 2.344 ( -0.771 -0.754 0.156) 1.090 3.376 ( 0.043 0.811 1.882) 2.050 3.509 ( -0.474 0.132 3.548) 3.582 3.593 ( -3.963 3.935 -5.317) 7.711 3.752 ( -0.873 -0.312 1.342) 1.631 4.017 ( -3.918 1.430 -3.744) 5.604 4.068 ( -7.533 -0.334 2.445) 7.926 4.315 ( -6.108 0.391 -0.287) 6.127 4.381 ( -8.692 -1.883 -0.635) 8.916 4.559 ( -8.985 1.020 -3.009) 9.530 4.616 ( -2.817 0.024 4.512) 5.319 4.953 ( -3.846 1.368 1.230) 4.263 5.002 ( -2.545 0.589 -2.806) 3.833 5.156 ( 0.597 -0.858 6.473) 6.557 5.197 ( 3.561 1.881 -3.253) 5.177 5.619 ( 1.082 0.551 -2.044) 2.378 5.639 ( 2.881 -2.316 2.798) 4.636 5.745 ( -0.049 -1.623 -1.867) 2.475 5.843 ( -1.148 2.120 2.246) 3.295 5.936 ( 0.217 0.377 -2.560) 2.597 5.973 ( -0.762 1.046 -1.471) 1.960 6.039 ( -3.694 -4.765 0.297) 6.036 6.083 ( -0.942 -2.557 -0.348) 2.747 6.371 ( -0.837 0.705 0.028) 1.095 6.378 ( 0.126 0.435 1.211) 1.293 6.974 ( 2.219 -0.398 0.423) 2.293 7.059 ( 5.424 -0.736 0.660) 5.513 7.238 ( 0.672 2.722 0.800) 2.916 7.300 ( 2.283 -0.453 -3.206) 3.962 7.317 ( -3.650 1.317 2.039) 4.383 7.416 ( -2.580 -0.256 -1.232) 2.871 7.702 ( 1.641 -0.453 1.292) 2.137 7.745 ( 0.500 -1.254 -0.590) 1.474 8.093 ( 4.244 -0.206 1.818) 4.622 8.233 ( 4.051 0.872 -2.006) 4.604 8.267 ( 1.874 0.075 -0.401) 1.918 8.349 ( 2.791 1.981 0.390) 3.445 8.388 ( 3.079 -0.343 -2.085) 3.734 8.486 ( 1.357 1.226 2.370) 2.993 10.991 ( 0.367 0.294 2.225) 2.274 11.050 ( 1.220 0.008 -2.528) 2.807 11.533 ( -0.207 0.129 1.755) 1.772 11.588 ( 0.603 1.010 -1.369) 1.805 12.906 ( -0.976 1.549 -0.605) 1.928 13.029 ( 1.472 2.179 0.640) 2.706 14.601 ( -1.716 0.734 -0.765) 2.017 14.640 ( -0.808 0.237 0.995) 1.303 15.468 ( -4.107 -1.129 1.288) 4.450 15.615 ( -0.535 -0.111 -3.898) 3.936 15.824 ( -4.429 2.453 0.578) 5.096 15.917 ( -1.415 -1.622 1.462) 2.602 16.536 ( -5.893 1.813 -0.651) 6.200 16.617 ( -5.584 7.188 -0.706) 9.129 16.768 ( -5.356 -2.984 1.185) 6.244 17.019 ( 0.768 -10.034 0.478) 10.074 ======================= Grid point 145 (67/70) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -6.567 -0.229 3.782) 7.581 0.795 ( -0.617 -4.759 0.678) 4.846 0.852 ( -6.735 -2.152 -3.192) 7.758 0.874 ( -1.829 -3.838 1.916) 4.663 0.978 ( -0.022 -6.646 -2.042) 6.953 1.034 ( -5.387 -1.596 0.165) 5.621 1.186 ( 0.253 -2.788 -0.564) 2.856 1.251 ( -2.744 -0.298 -1.035) 2.948 1.299 ( 0.794 -4.476 -1.217) 4.706 1.391 ( -2.937 -3.634 1.703) 4.973 1.490 ( -0.284 -0.870 -1.071) 1.409 1.548 ( -0.638 -1.803 0.223) 1.925 1.597 ( -0.374 -3.514 -0.199) 3.540 1.604 ( -2.560 -2.233 1.045) 3.554 1.693 ( -0.002 -0.440 0.120) 0.456 1.714 ( -4.178 2.578 0.133) 4.911 1.745 ( -1.308 1.129 0.876) 1.937 1.799 ( 1.048 -2.974 -1.127) 3.349 1.966 ( -2.491 1.214 -2.822) 3.955 2.011 ( -1.430 -2.546 3.205) 4.336 2.144 ( -1.995 -2.416 -0.496) 3.172 2.224 ( -1.266 -2.298 0.111) 2.626 2.276 ( -2.777 -4.865 -0.042) 5.602 2.358 ( -0.216 -1.645 -0.203) 1.671 3.346 ( 0.396 2.243 -0.935) 2.462 3.439 ( -4.261 2.963 -2.579) 5.796 3.581 ( 2.313 -1.951 1.526) 3.389 3.730 ( -0.268 3.917 5.175) 6.496 3.944 ( -5.134 -1.108 -4.179) 6.712 4.005 ( -8.295 -1.967 1.266) 8.618 4.253 ( -5.087 1.318 1.305) 5.414 4.324 ( -5.280 -0.750 0.141) 5.335 4.459 ( -8.077 -1.768 -2.874) 8.753 4.633 ( -0.570 -2.376 2.178) 3.273 4.894 ( -3.743 1.255 0.709) 4.011 4.955 ( -2.804 0.742 -2.387) 3.757 5.191 ( 2.494 1.012 -4.218) 5.003 5.203 ( 1.701 -0.790 5.265) 5.589 5.608 ( 1.361 0.927 -1.516) 2.238 5.711 ( 2.464 -0.915 5.458) 6.058 5.743 ( 0.443 2.085 0.283) 2.151 5.838 ( -0.893 -2.341 -0.081) 2.507 5.928 ( -1.824 1.351 -2.041) 3.053 5.940 ( -0.033 -1.755 -4.978) 5.278 6.068 ( -4.632 -3.530 -0.592) 5.854 6.121 ( -0.958 -1.250 2.779) 3.194 6.341 ( -0.712 0.837 -0.779) 1.347 6.389 ( 1.511 0.127 1.757) 2.321 7.008 ( 1.708 -1.069 0.055) 2.016 7.108 ( 3.528 0.656 0.333) 3.603 7.191 ( -0.564 2.254 0.116) 2.327 7.251 ( -2.630 1.744 0.112) 3.157 7.346 ( 2.454 -1.715 -1.706) 3.446 7.384 ( -2.575 0.466 0.037) 2.617 7.721 ( 0.427 -0.320 0.467) 0.709 7.785 ( 1.626 -1.280 0.545) 2.140 8.140 ( 3.819 0.269 0.850) 3.921 8.234 ( 3.004 2.483 -1.720) 4.260 8.288 ( 1.070 -0.804 0.127) 1.345 8.331 ( 1.727 2.938 1.365) 3.671 8.414 ( 3.414 0.945 -2.291) 4.219 8.473 ( 0.917 2.329 1.691) 3.020 10.995 ( 0.287 0.405 1.957) 2.019 11.052 ( 0.972 0.222 -2.109) 2.333 11.533 ( -0.085 0.256 1.093) 1.126 11.563 ( 0.061 1.682 -0.889) 1.903 12.859 ( -1.289 2.042 0.201) 2.423 12.988 ( 0.465 3.648 0.034) 3.678 14.570 ( -1.682 0.460 0.080) 1.746 14.630 ( -0.465 0.276 -0.006) 0.540 15.466 ( -2.720 -2.578 0.425) 3.771 15.603 ( -0.303 -0.294 -2.884) 2.915 15.734 ( -5.262 2.091 1.619) 5.889 15.902 ( -2.823 2.090 0.698) 3.581 16.427 ( -6.455 2.290 3.458) 7.673 16.504 ( -3.007 -0.833 -5.195) 6.060 16.806 ( -3.759 -6.024 1.889) 7.347 17.186 ( 1.271 -7.316 -0.675) 7.457 ======================= Grid point 153 (68/70) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -7.373 -0.000 2.119) 7.672 0.741 ( -6.811 -0.000 3.554) 7.682 0.804 ( 0.906 0.000 -0.487) 1.029 0.817 ( -7.342 -0.000 -5.822) 9.370 0.954 ( -3.498 -0.000 -2.283) 4.177 0.973 ( -1.799 -0.000 2.543) 3.116 1.009 ( -6.116 -0.000 0.743) 6.161 1.136 ( -6.512 -0.000 1.275) 6.635 1.335 ( 1.645 0.000 -4.192) 4.503 1.387 ( -2.622 -0.000 3.128) 4.082 1.416 ( -12.106 -0.000 7.298) 14.136 1.447 ( -0.184 -0.000 -1.802) 1.811 1.494 ( -4.416 -0.000 -1.065) 4.543 1.539 ( -1.194 -0.000 -1.505) 1.921 1.660 ( 0.897 0.000 0.299) 0.946 1.741 ( -2.335 -0.000 -1.937) 3.034 1.776 ( -0.869 -0.000 1.805) 2.004 1.780 ( -4.922 -0.000 -0.704) 4.972 1.971 ( -2.272 -0.000 2.184) 3.152 1.981 ( -5.986 -0.000 -2.446) 6.467 2.087 ( -1.621 -0.000 -0.498) 1.696 2.213 ( -2.118 -0.000 2.342) 3.158 2.213 ( -0.216 -0.000 -2.914) 2.922 2.335 ( 0.015 0.000 -0.650) 0.650 3.417 ( 2.237 0.000 5.212) 5.672 3.506 ( -0.245 -0.000 2.657) 2.668 3.596 ( -3.477 -0.000 -3.534) 4.958 3.702 ( -2.479 -0.000 -3.814) 4.549 3.938 ( -6.748 -0.000 -6.047) 9.061 4.033 ( -6.426 -0.000 3.016) 7.099 4.261 ( -3.497 -0.000 0.609) 3.549 4.266 ( -9.098 -0.000 0.876) 9.140 4.451 ( -10.689 -0.000 -3.339) 11.198 4.583 ( -4.561 -0.000 3.830) 5.956 4.926 ( -4.345 -0.000 2.290) 4.911 4.974 ( -1.298 -0.000 -3.895) 4.105 5.181 ( 1.267 0.000 7.790) 7.893 5.254 ( 3.256 0.000 -2.041) 3.843 5.642 ( 2.749 0.000 -2.339) 3.610 5.647 ( 3.811 0.000 -1.414) 4.065 5.738 ( 1.056 0.000 2.405) 2.627 5.867 ( -1.246 -0.000 2.161) 2.495 5.904 ( -4.121 -0.000 -3.587) 5.463 5.973 ( 0.671 0.000 -3.043) 3.116 6.003 ( 0.708 0.000 3.810) 3.875 6.022 ( -1.753 -0.000 -3.210) 3.657 6.358 ( -1.743 -0.000 -0.542) 1.825 6.388 ( -0.284 -0.000 2.066) 2.086 7.002 ( 2.352 0.000 2.089) 3.146 7.114 ( 5.350 0.000 0.864) 5.419 7.266 ( -0.923 -0.000 -1.302) 1.596 7.285 ( -4.928 -0.000 1.300) 5.097 7.312 ( 2.233 0.000 -2.428) 3.298 7.385 ( -1.977 -0.000 -0.748) 2.114 7.731 ( 0.738 0.000 -1.269) 1.468 7.737 ( 3.511 0.000 2.033) 4.057 8.150 ( 5.105 0.000 2.412) 5.645 8.267 ( 0.389 0.000 -0.045) 0.391 8.283 ( 4.099 0.000 -3.190) 5.194 8.397 ( 2.448 0.000 -0.208) 2.457 8.420 ( 4.135 0.000 -0.798) 4.211 8.519 ( 1.510 0.000 2.094) 2.581 11.006 ( 0.485 0.000 2.122) 2.177 11.053 ( 1.023 0.000 -2.462) 2.666 11.538 ( -0.220 -0.000 2.089) 2.100 11.598 ( 0.416 0.000 -1.668) 1.719 12.906 ( -1.282 -0.000 -0.988) 1.618 13.069 ( 1.448 0.000 1.317) 1.957 14.586 ( -1.743 -0.000 -1.129) 2.077 14.634 ( -1.560 -0.000 1.586) 2.225 15.419 ( -3.304 -0.000 0.123) 3.307 15.596 ( -0.389 -0.000 -3.663) 3.684 15.810 ( -4.014 -0.000 -3.032) 5.030 15.882 ( -1.688 -0.000 4.670) 4.966 16.476 ( -7.118 -0.000 -0.661) 7.148 16.624 ( -5.961 -0.000 0.110) 5.962 16.762 ( -4.859 -0.000 -2.439) 5.436 16.864 ( 0.229 0.000 2.982) 2.991 ======================= Grid point 154 (69/70) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -10.980 -4.659 6.439) 13.555 0.664 ( -13.141 -3.428 2.210) 13.760 0.784 ( 0.355 -1.847 -1.992) 2.740 0.838 ( 1.766 -1.139 -0.085) 2.103 0.904 ( 2.106 -2.585 -0.463) 3.366 0.963 ( -3.949 -1.033 -0.775) 4.154 1.089 ( -3.479 -7.213 0.439) 8.021 1.131 ( -4.426 -9.625 -0.731) 10.619 1.254 ( -8.684 1.528 3.074) 9.338 1.328 ( -0.136 0.690 -0.891) 1.135 1.432 ( -6.728 -6.130 2.951) 9.568 1.468 ( 0.108 -2.075 -0.149) 2.084 1.510 ( -1.396 -3.583 0.604) 3.893 1.545 ( 1.556 -1.972 -3.539) 4.340 1.662 ( -2.801 -0.746 0.972) 3.057 1.691 ( -5.347 -0.471 -0.922) 5.446 1.736 ( -2.445 0.043 -0.770) 2.564 1.781 ( 0.717 0.285 2.293) 2.419 1.923 ( -3.499 -0.376 -1.013) 3.662 1.976 ( -1.691 -2.125 0.812) 2.835 2.081 ( -2.382 -1.552 -0.824) 2.960 2.192 ( -2.284 0.158 1.712) 2.859 2.207 ( -0.159 -0.756 -2.221) 2.352 2.335 ( -0.030 -0.574 -2.244) 2.316 3.419 ( 2.073 3.158 4.137) 5.602 3.463 ( -3.351 6.059 -3.221) 7.637 3.567 ( 2.140 -3.306 2.436) 4.631 3.728 ( -0.748 -3.726 -2.534) 4.567 3.857 ( -7.086 -1.192 -5.945) 9.326 3.925 ( -7.631 3.661 2.004) 8.698 4.185 ( -9.122 -1.013 1.751) 9.344 4.259 ( -3.293 -2.146 1.603) 4.245 4.345 ( -6.624 -0.435 -2.228) 7.003 4.571 ( -3.047 -2.282 1.643) 4.146 4.881 ( -3.519 1.222 1.893) 4.178 4.942 ( -0.935 1.185 -3.836) 4.122 5.225 ( 1.426 -0.382 6.412) 6.580 5.249 ( 2.695 2.485 -1.606) 4.002 5.644 ( 1.877 1.569 -1.862) 3.075 5.717 ( 2.834 -3.984 -3.205) 5.846 5.762 ( 2.173 0.631 5.199) 5.670 5.837 ( -0.262 1.309 1.065) 1.708 5.890 ( -2.830 -1.335 -2.617) 4.080 5.942 ( -0.441 2.344 -2.040) 3.138 5.980 ( -1.304 -1.362 -1.747) 2.570 6.075 ( -1.021 -3.262 0.799) 3.510 6.338 ( -1.043 0.113 -0.056) 1.050 6.395 ( -0.164 -0.607 1.590) 1.710 7.031 ( 2.545 0.340 2.518) 3.596 7.158 ( 2.943 0.747 0.782) 3.135 7.215 ( -2.074 1.976 -1.153) 3.088 7.238 ( -3.720 0.471 0.141) 3.752 7.336 ( 1.727 -0.924 -2.193) 2.940 7.368 ( -0.993 -0.053 -0.000) 0.994 7.734 ( 1.246 0.451 0.012) 1.325 7.789 ( 2.761 -0.875 0.781) 3.000 8.201 ( 4.456 0.877 1.800) 4.886 8.273 ( -0.150 -0.737 0.402) 0.852 8.301 ( 3.472 1.815 -2.082) 4.436 8.402 ( 2.182 2.094 0.512) 3.067 8.451 ( 2.541 0.309 -1.821) 3.141 8.527 ( 1.431 1.735 1.527) 2.719 11.013 ( 0.383 0.449 1.865) 1.957 11.056 ( 0.839 -0.054 -2.177) 2.334 11.540 ( -0.298 0.221 1.917) 1.953 11.585 ( 0.120 1.113 -1.593) 1.948 12.874 ( -1.806 1.309 0.076) 2.231 13.056 ( 0.340 3.186 1.147) 3.403 14.561 ( -1.517 0.467 -0.305) 1.616 14.621 ( -1.530 -0.175 0.614) 1.657 15.407 ( -0.889 -1.447 -1.172) 2.063 15.586 ( 0.028 -0.273 -2.936) 2.949 15.722 ( -5.435 2.768 0.253) 6.104 15.893 ( -2.686 0.077 2.200) 3.473 16.408 ( -5.783 0.170 0.023) 5.786 16.477 ( -6.654 7.326 -1.616) 10.028 16.672 ( -4.168 -4.148 1.224) 6.006 17.040 ( 1.186 -10.842 -2.543) 11.199 ======================= Grid point 163 (70/70) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -10.547 -0.000 9.309) 14.067 0.490 ( -15.511 -0.000 5.749) 16.542 0.717 ( -2.011 -0.000 -2.695) 3.363 0.873 ( 1.037 0.000 -3.779) 3.918 0.877 ( -14.832 -0.000 12.822) 19.606 0.914 ( 4.876 0.000 -5.138) 7.084 0.936 ( -9.690 -0.000 -1.590) 9.820 0.936 ( -2.341 -0.000 3.344) 4.082 1.184 ( -7.298 -0.000 3.658) 8.164 1.336 ( -2.284 -0.000 1.727) 2.863 1.362 ( 3.216 0.000 -2.820) 4.277 1.461 ( -1.480 -0.000 1.841) 2.362 1.462 ( 0.783 0.000 -1.371) 1.579 1.531 ( 1.582 0.000 -3.146) 3.522 1.611 ( -4.441 -0.000 -2.592) 5.143 1.634 ( -2.310 -0.000 2.338) 3.287 1.709 ( -2.471 -0.000 -0.597) 2.542 1.780 ( -3.379 -0.000 1.759) 3.810 1.895 ( 1.021 0.000 -0.509) 1.141 1.931 ( -3.401 -0.000 3.272) 4.720 2.044 ( -1.839 -0.000 -2.177) 2.850 2.178 ( -0.358 -0.000 -5.444) 5.456 2.200 ( -1.165 -0.000 3.123) 3.333 2.320 ( -0.265 -0.000 -3.497) 3.507 3.470 ( -1.700 -0.000 0.194) 1.711 3.545 ( 1.960 0.000 0.407) 2.001 3.562 ( 3.511 0.000 1.007) 3.653 3.618 ( -2.667 -0.000 -1.030) 2.859 3.786 ( -3.081 -0.000 -6.732) 7.404 3.890 ( -6.922 -0.000 -0.704) 6.958 4.082 ( -8.561 -0.000 2.056) 8.804 4.169 ( -7.741 -0.000 -1.537) 7.892 4.324 ( 0.522 0.000 3.244) 3.286 4.526 ( -2.300 -0.000 0.272) 2.316 4.869 ( -2.643 -0.000 2.370) 3.550 4.939 ( 0.200 0.000 -4.491) 4.496 5.253 ( 0.135 0.000 7.712) 7.713 5.297 ( 2.254 0.000 -1.390) 2.648 5.680 ( 2.189 0.000 -2.506) 3.328 5.686 ( 1.953 0.000 -3.686) 4.172 5.817 ( -1.998 -0.000 -2.141) 2.929 5.819 ( 3.158 0.000 5.505) 6.346 5.854 ( -0.907 -0.000 -0.564) 1.068 5.967 ( 0.349 0.000 -1.379) 1.422 5.972 ( -1.207 -0.000 -1.851) 2.210 6.021 ( -0.682 -0.000 0.819) 1.066 6.330 ( -0.556 -0.000 0.415) 0.694 6.385 ( -1.021 -0.000 1.313) 1.663 7.076 ( 3.262 0.000 3.581) 4.844 7.184 ( -1.903 -0.000 1.137) 2.216 7.197 ( -3.321 -0.000 -2.228) 3.999 7.211 ( -0.041 -0.000 0.820) 0.821 7.344 ( 2.567 0.000 -3.219) 4.118 7.358 ( -0.997 -0.000 0.862) 1.318 7.754 ( 1.799 0.000 0.135) 1.804 7.814 ( 2.246 0.000 0.749) 2.367 8.260 ( 3.600 0.000 1.732) 3.995 8.271 ( 0.324 0.000 2.226) 2.250 8.345 ( 2.619 0.000 -1.897) 3.233 8.449 ( 2.715 0.000 -0.491) 2.760 8.463 ( 0.960 0.000 -2.826) 2.985 8.567 ( 1.629 0.000 0.784) 1.807 11.027 ( 0.203 0.000 1.625) 1.638 11.056 ( 0.745 0.000 -2.036) 2.168 11.545 ( -0.499 -0.000 2.101) 2.160 11.591 ( 0.150 0.000 -1.787) 1.793 12.869 ( -1.300 -0.000 2.005) 2.390 13.092 ( -0.930 -0.000 2.323) 2.503 14.552 ( -0.875 -0.000 -0.313) 0.929 14.599 ( -2.353 -0.000 0.729) 2.463 15.402 ( 3.883 0.000 -2.877) 4.833 15.578 ( 0.731 0.000 -2.354) 2.465 15.700 ( -4.641 -0.000 -2.186) 5.130 15.889 ( -0.423 -0.000 0.910) 1.003 16.341 ( -5.156 -0.000 0.529) 5.183 16.517 ( -3.908 -0.000 -0.858) 4.001 16.650 ( -3.867 -0.000 -2.280) 4.489 16.821 ( -7.218 -0.000 -8.990) 11.529 =================== 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 3/18954 10.0 10.958 10.677 7.653 0.000 0.698 0.000 3/18954 20.0 3.005 3.241 2.026 0.000 0.019 0.000 3/18954 30.0 1.771 1.949 1.200 0.000 -0.021 0.000 3/18954 40.0 1.282 1.409 0.879 0.000 -0.021 0.000 3/18954 50.0 1.014 1.106 0.702 0.000 -0.017 0.000 3/18954 60.0 0.842 0.910 0.587 0.000 -0.014 0.000 3/18954 70.0 0.721 0.773 0.506 0.000 -0.011 0.000 3/18954 80.0 0.632 0.671 0.445 0.000 -0.010 0.000 3/18954 90.0 0.562 0.594 0.397 0.000 -0.008 0.000 3/18954 100.0 0.507 0.533 0.359 0.000 -0.007 0.000 3/18954 110.0 0.462 0.484 0.328 0.000 -0.007 0.000 3/18954 120.0 0.425 0.444 0.303 0.000 -0.006 0.000 3/18954 130.0 0.394 0.411 0.281 0.000 -0.006 0.000 3/18954 140.0 0.367 0.382 0.263 0.000 -0.006 0.000 3/18954 150.0 0.344 0.358 0.247 0.000 -0.005 0.000 3/18954 160.0 0.324 0.337 0.233 0.000 -0.005 0.000 3/18954 170.0 0.307 0.319 0.221 0.000 -0.005 0.000 3/18954 180.0 0.291 0.302 0.210 0.000 -0.005 0.000 3/18954 190.0 0.277 0.288 0.200 0.000 -0.005 0.000 3/18954 200.0 0.264 0.275 0.191 0.000 -0.005 0.000 3/18954 210.0 0.253 0.263 0.183 0.000 -0.005 0.000 3/18954 220.0 0.242 0.252 0.176 0.000 -0.005 0.000 3/18954 230.0 0.233 0.242 0.169 0.000 -0.005 0.000 3/18954 240.0 0.224 0.233 0.163 0.000 -0.005 0.000 3/18954 250.0 0.215 0.225 0.157 0.000 -0.005 0.000 3/18954 260.0 0.208 0.217 0.152 0.000 -0.005 0.000 3/18954 270.0 0.201 0.210 0.147 0.000 -0.005 0.000 3/18954 280.0 0.194 0.203 0.142 0.000 -0.005 0.000 3/18954 290.0 0.188 0.197 0.138 0.000 -0.004 0.000 3/18954 300.0 0.182 0.191 0.134 0.000 -0.004 0.000 3/18954 310.0 0.177 0.185 0.130 0.000 -0.004 0.000 3/18954 320.0 0.172 0.180 0.126 0.000 -0.004 0.000 3/18954 330.0 0.167 0.175 0.123 0.000 -0.004 0.000 3/18954 340.0 0.162 0.170 0.120 0.000 -0.004 0.000 3/18954 350.0 0.158 0.166 0.116 0.000 -0.004 0.000 3/18954 360.0 0.154 0.162 0.114 0.000 -0.004 0.000 3/18954 370.0 0.150 0.158 0.111 0.000 -0.004 0.000 3/18954 380.0 0.146 0.154 0.108 0.000 -0.004 0.000 3/18954 390.0 0.143 0.150 0.106 0.000 -0.004 0.000 3/18954 400.0 0.140 0.147 0.103 0.000 -0.004 0.000 3/18954 410.0 0.136 0.143 0.101 0.000 -0.004 0.000 3/18954 420.0 0.133 0.140 0.099 0.000 -0.004 0.000 3/18954 430.0 0.130 0.137 0.096 0.000 -0.004 0.000 3/18954 440.0 0.128 0.134 0.094 0.000 -0.004 0.000 3/18954 450.0 0.125 0.132 0.092 0.000 -0.004 0.000 3/18954 460.0 0.122 0.129 0.091 0.000 -0.003 0.000 3/18954 470.0 0.120 0.126 0.089 0.000 -0.003 0.000 3/18954 480.0 0.117 0.124 0.087 0.000 -0.003 0.000 3/18954 490.0 0.115 0.121 0.085 0.000 -0.003 0.000 3/18954 500.0 0.113 0.119 0.084 0.000 -0.003 0.000 3/18954 510.0 0.111 0.117 0.082 0.000 -0.003 0.000 3/18954 520.0 0.109 0.115 0.081 0.000 -0.003 0.000 3/18954 530.0 0.107 0.113 0.079 0.000 -0.003 0.000 3/18954 540.0 0.105 0.111 0.078 0.000 -0.003 0.000 3/18954 550.0 0.103 0.109 0.077 0.000 -0.003 0.000 3/18954 560.0 0.101 0.107 0.075 0.000 -0.003 0.000 3/18954 570.0 0.100 0.105 0.074 0.000 -0.003 0.000 3/18954 580.0 0.098 0.103 0.073 0.000 -0.003 0.000 3/18954 590.0 0.096 0.102 0.072 0.000 -0.003 0.000 3/18954 600.0 0.095 0.100 0.070 0.000 -0.003 0.000 3/18954 610.0 0.093 0.099 0.069 0.000 -0.003 0.000 3/18954 620.0 0.092 0.097 0.068 0.000 -0.003 0.000 3/18954 630.0 0.090 0.096 0.067 0.000 -0.003 0.000 3/18954 640.0 0.089 0.094 0.066 0.000 -0.003 0.000 3/18954 650.0 0.088 0.093 0.065 0.000 -0.003 0.000 3/18954 660.0 0.086 0.091 0.064 0.000 -0.003 0.000 3/18954 670.0 0.085 0.090 0.063 0.000 -0.003 0.000 3/18954 680.0 0.084 0.089 0.062 0.000 -0.003 0.000 3/18954 690.0 0.083 0.088 0.062 0.000 -0.003 0.000 3/18954 700.0 0.082 0.086 0.061 0.000 -0.003 0.000 3/18954 710.0 0.080 0.085 0.060 0.000 -0.002 0.000 3/18954 720.0 0.079 0.084 0.059 0.000 -0.002 0.000 3/18954 730.0 0.078 0.083 0.058 0.000 -0.002 0.000 3/18954 740.0 0.077 0.082 0.058 0.000 -0.002 0.000 3/18954 750.0 0.076 0.081 0.057 0.000 -0.002 0.000 3/18954 760.0 0.075 0.080 0.056 0.000 -0.002 0.000 3/18954 770.0 0.074 0.079 0.055 0.000 -0.002 0.000 3/18954 780.0 0.073 0.078 0.055 0.000 -0.002 0.000 3/18954 790.0 0.072 0.077 0.054 0.000 -0.002 0.000 3/18954 800.0 0.072 0.076 0.053 0.000 -0.002 0.000 3/18954 810.0 0.071 0.075 0.053 0.000 -0.002 0.000 3/18954 820.0 0.070 0.074 0.052 0.000 -0.002 0.000 3/18954 830.0 0.069 0.073 0.052 0.000 -0.002 0.000 3/18954 840.0 0.068 0.072 0.051 0.000 -0.002 0.000 3/18954 850.0 0.067 0.072 0.050 0.000 -0.002 0.000 3/18954 860.0 0.067 0.071 0.050 0.000 -0.002 0.000 3/18954 870.0 0.066 0.070 0.049 0.000 -0.002 0.000 3/18954 880.0 0.065 0.069 0.049 0.000 -0.002 0.000 3/18954 890.0 0.064 0.068 0.048 0.000 -0.002 0.000 3/18954 900.0 0.064 0.068 0.048 0.000 -0.002 0.000 3/18954 910.0 0.063 0.067 0.047 0.000 -0.002 0.000 3/18954 920.0 0.062 0.066 0.047 0.000 -0.002 0.000 3/18954 930.0 0.062 0.066 0.046 0.000 -0.002 0.000 3/18954 940.0 0.061 0.065 0.046 0.000 -0.002 0.000 3/18954 950.0 0.060 0.064 0.045 0.000 -0.002 0.000 3/18954 960.0 0.060 0.063 0.045 0.000 -0.002 0.000 3/18954 970.0 0.059 0.063 0.044 0.000 -0.002 0.000 3/18954 980.0 0.059 0.062 0.044 0.000 -0.002 0.000 3/18954 990.0 0.058 0.062 0.043 0.000 -0.002 0.000 3/18954 1000.0 0.058 0.061 0.043 0.000 -0.002 0.000 3/18954 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:27:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|