----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:32:33]------------------------- 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 8.190507885061519 -3.524722890000000 0.000000000000000 b 8.190507885061519 3.524722890000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): *1 Bi 0.19680703393823 0.80319296606177 0.75000000000000 208.980 2 Bi 0.80319296606177 0.19680703393823 0.25000000000000 208.980 *3 Li 0.70173963676866 0.29826036323134 0.75000000000000 6.941 4 Li 0.29826036323134 0.70173963676866 0.25000000000000 6.941 *5 O 0.84093045098024 0.39758842014440 0.18842408719227 15.999 *6 O 0.53247999635202 0.78123293259939 0.23058085298768 15.999 *7 O 0.23949118934661 0.02235391046172 0.03032319741195 15.999 *8 O 0.33185692315246 0.17583959841640 0.35339593352417 15.999 *9 O 0.84028340727664 0.02169355851090 0.77727588052823 15.999 10 O 0.82416040158360 0.66814307684754 0.14660406647583 15.999 11 O 0.97764608953828 0.76050881065339 0.46967680258805 15.999 *12 O 0.44611417823961 0.42464511313390 0.57086147720307 15.999 13 O 0.57535488686610 0.55388582176039 0.92913852279693 15.999 14 O 0.21876706740061 0.46752000364798 0.26941914701232 15.999 15 O 0.60241157985560 0.15906954901976 0.31157591280773 15.999 16 O 0.97830644148910 0.15971659272336 0.72272411947177 15.999 17 O 0.02169355851090 0.84028340727664 0.27727588052823 15.999 18 O 0.39758842014440 0.84093045098024 0.68842408719227 15.999 19 O 0.78123293259939 0.53247999635202 0.73058085298768 15.999 20 O 0.42464511313390 0.44611417823961 0.07086147720307 15.999 21 O 0.55388582176039 0.57535488686610 0.42913852279693 15.999 22 O 0.02235391046172 0.23949118934661 0.53032319741195 15.999 23 O 0.17583959841640 0.33185692315246 0.85339593352417 15.999 24 O 0.15971659272336 0.97830644148910 0.22272411947177 15.999 25 O 0.66814307684754 0.82416040158360 0.64660406647583 15.999 26 O 0.76050881065339 0.97764608953828 0.96967680258805 15.999 27 O 0.46752000364798 0.21876706740061 0.76941914701232 15.999 28 O 0.15906954901976 0.60241157985560 0.81157591280773 15.999 *29 P 0.29731211168355 0.99570059650025 0.19517531146316 30.974 *30 P 0.69417385359748 0.58306014962680 0.11551823234354 30.974 31 P 0.41693985037320 0.30582614640252 0.38448176765646 30.974 32 P 0.00429940349975 0.70268788831645 0.30482468853685 30.974 33 P 0.99570059650025 0.29731211168355 0.69517531146316 30.974 34 P 0.58306014962680 0.69417385359748 0.61551823234354 30.974 35 P 0.30582614640252 0.41693985037320 0.88448176765646 30.974 36 P 0.70268788831645 0.00429940349975 0.80482468853684 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.381015770123039 0.000000000000000 0.000000000000000 b 0.000000000000000 7.049445780000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): *1 Bi 0.00000000000000 0.80319296606177 0.75000000000000 208.980 > 1 2 Bi 0.00000000000000 0.19680703393823 0.25000000000000 208.980 > 2 3 Bi 0.50000000000000 0.30319296606177 0.75000000000000 208.980 > 1 4 Bi 0.50000000000000 0.69680703393823 0.25000000000000 208.980 > 2 *5 Li 0.00000000000000 0.29826036323134 0.75000000000000 6.941 > 3 6 Li 0.00000000000000 0.70173963676866 0.25000000000000 6.941 > 4 7 Li 0.50000000000000 0.79826036323134 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.20173963676866 0.25000000000000 6.941 > 4 *9 O 0.61925943556232 0.77832898458208 0.18842408719227 15.999 > 5 *10 O 0.65685646447570 0.12437646812369 0.23058085298768 15.999 > 6 *11 O 0.63092254990416 0.39143136055755 0.03032319741195 15.999 > 7 *12 O 0.75384826078443 0.42199133763197 0.35339593352417 15.999 > 8 *13 O 0.93098848289377 0.09070507561713 0.77727588052823 15.999 > 9 14 O 0.74615173921557 0.92199133763197 0.14660406647583 15.999 > 10 15 O 0.86907745009584 0.89143136055755 0.46967680258805 15.999 > 11 *16 O 0.93537964568676 0.48926546744715 0.57086147720307 15.999 > 12 17 O 0.06462035431325 0.48926546744715 0.92913852279693 15.999 > 13 18 O 0.84314353552430 0.62437646812369 0.26941914701232 15.999 > 14 19 O 0.88074056443768 0.27832898458208 0.31157591280773 15.999 > 15 20 O 0.06901151710623 0.09070507561713 0.72272411947177 15.999 > 16 21 O 0.93098848289377 0.90929492438287 0.27727588052823 15.999 > 17 22 O 0.11925943556232 0.72167101541792 0.68842408719227 15.999 > 18 23 O 0.15685646447570 0.37562353187631 0.73058085298768 15.999 > 19 24 O 0.93537964568676 0.51073453255285 0.07086147720307 15.999 > 20 25 O 0.06462035431325 0.51073453255285 0.42913852279693 15.999 > 21 26 O 0.13092254990416 0.10856863944245 0.53032319741195 15.999 > 22 27 O 0.25384826078443 0.07800866236803 0.85339593352417 15.999 > 23 28 O 0.06901151710623 0.90929492438287 0.22272411947177 15.999 > 24 29 O 0.24615173921557 0.57800866236803 0.64660406647583 15.999 > 25 30 O 0.36907745009584 0.60856863944245 0.96967680258805 15.999 > 26 31 O 0.34314353552430 0.87562353187631 0.76941914701232 15.999 > 27 32 O 0.38074056443768 0.22167101541792 0.81157591280773 15.999 > 28 33 O 0.11925943556232 0.27832898458208 0.18842408719227 15.999 > 5 34 O 0.15685646447570 0.62437646812369 0.23058085298768 15.999 > 6 35 O 0.13092254990416 0.89143136055755 0.03032319741195 15.999 > 7 36 O 0.25384826078443 0.92199133763197 0.35339593352417 15.999 > 8 37 O 0.43098848289377 0.59070507561713 0.77727588052823 15.999 > 9 38 O 0.24615173921557 0.42199133763197 0.14660406647583 15.999 > 10 39 O 0.36907745009584 0.39143136055755 0.46967680258805 15.999 > 11 40 O 0.43537964568676 0.98926546744715 0.57086147720307 15.999 > 12 41 O 0.56462035431324 0.98926546744715 0.92913852279693 15.999 > 13 42 O 0.34314353552430 0.12437646812369 0.26941914701232 15.999 > 14 43 O 0.38074056443768 0.77832898458208 0.31157591280773 15.999 > 15 44 O 0.56901151710623 0.59070507561713 0.72272411947177 15.999 > 16 45 O 0.43098848289377 0.40929492438287 0.27727588052823 15.999 > 17 46 O 0.61925943556232 0.22167101541792 0.68842408719227 15.999 > 18 47 O 0.65685646447570 0.87562353187631 0.73058085298768 15.999 > 19 48 O 0.43537964568676 0.01073453255285 0.07086147720307 15.999 > 20 49 O 0.56462035431324 0.01073453255285 0.42913852279693 15.999 > 21 50 O 0.63092254990416 0.60856863944245 0.53032319741195 15.999 > 22 51 O 0.75384826078443 0.57800866236803 0.85339593352417 15.999 > 23 52 O 0.56901151710623 0.40929492438287 0.22272411947177 15.999 > 24 53 O 0.74615173921557 0.07800866236803 0.64660406647583 15.999 > 25 54 O 0.86907745009584 0.10856863944245 0.96967680258805 15.999 > 26 55 O 0.84314353552430 0.37562353187631 0.76941914701232 15.999 > 27 56 O 0.88074056443768 0.72167101541792 0.81157591280773 15.999 > 28 *57 P 0.64650635409190 0.34919424240835 0.19517531146316 30.974 > 29 *58 P 0.63861700161214 0.94444314801466 0.11551823234354 30.974 > 30 59 P 0.86138299838786 0.44444314801466 0.38448176765646 30.974 > 31 60 P 0.85349364590810 0.84919424240835 0.30482468853685 30.974 > 32 61 P 0.14650635409190 0.15080575759165 0.69517531146316 30.974 > 33 62 P 0.13861700161214 0.55555685198534 0.61551823234354 30.974 > 34 63 P 0.36138299838786 0.05555685198534 0.88448176765646 30.974 > 35 64 P 0.35349364590810 0.65080575759165 0.80482468853684 30.974 > 36 65 P 0.14650635409190 0.84919424240835 0.19517531146316 30.974 > 29 66 P 0.13861700161214 0.44444314801466 0.11551823234354 30.974 > 30 67 P 0.36138299838786 0.94444314801466 0.38448176765646 30.974 > 31 68 P 0.35349364590810 0.34919424240835 0.30482468853685 30.974 > 32 69 P 0.64650635409190 0.65080575759165 0.69517531146316 30.974 > 33 70 P 0.63861700161214 0.05555685198534 0.61551823234354 30.974 > 34 71 P 0.86138299838786 0.55555685198534 0.88448176765646 30.974 > 35 72 P 0.85349364590810 0.15080575759165 0.80482468853684 30.974 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.381015770123039 0.000000000000000 0.000000000000000 b 0.000000000000000 14.098891560000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): *1 Bi 0.00000000000000 0.40159648303088 0.75000000000000 208.980 > 1 2 Bi 0.00000000000000 0.90159648303088 0.75000000000000 208.980 > 1 3 Bi 0.00000000000000 0.09840351696912 0.25000000000000 208.980 > 2 4 Bi 0.00000000000000 0.59840351696912 0.25000000000000 208.980 > 2 5 Bi 0.50000000000000 0.15159648303088 0.75000000000000 208.980 > 1 6 Bi 0.50000000000000 0.65159648303088 0.75000000000000 208.980 > 1 7 Bi 0.50000000000000 0.34840351696912 0.25000000000000 208.980 > 2 8 Bi 0.50000000000000 0.84840351696912 0.25000000000000 208.980 > 2 *9 Li 0.00000000000000 0.14913018161567 0.75000000000000 6.941 > 3 10 Li 0.00000000000000 0.64913018161567 0.75000000000000 6.941 > 3 11 Li 0.00000000000000 0.35086981838433 0.25000000000000 6.941 > 4 12 Li 0.00000000000000 0.85086981838433 0.25000000000000 6.941 > 4 13 Li 0.50000000000000 0.39913018161567 0.75000000000000 6.941 > 3 14 Li 0.50000000000000 0.89913018161567 0.75000000000000 6.941 > 3 15 Li 0.50000000000000 0.10086981838433 0.25000000000000 6.941 > 4 16 Li 0.50000000000000 0.60086981838433 0.25000000000000 6.941 > 4 *17 O 0.61925943556232 0.38916449229104 0.18842408719227 15.999 > 5 18 O 0.61925943556232 0.88916449229104 0.18842408719227 15.999 > 5 *19 O 0.65685646447570 0.06218823406184 0.23058085298768 15.999 > 6 20 O 0.65685646447570 0.56218823406184 0.23058085298768 15.999 > 6 *21 O 0.63092254990416 0.19571568027878 0.03032319741195 15.999 > 7 22 O 0.63092254990416 0.69571568027878 0.03032319741195 15.999 > 7 *23 O 0.75384826078443 0.21099566881598 0.35339593352417 15.999 > 8 24 O 0.75384826078443 0.71099566881598 0.35339593352417 15.999 > 8 *25 O 0.93098848289377 0.04535253780856 0.77727588052823 15.999 > 9 26 O 0.93098848289377 0.54535253780856 0.77727588052823 15.999 > 9 27 O 0.74615173921557 0.46099566881598 0.14660406647583 15.999 > 10 28 O 0.74615173921557 0.96099566881598 0.14660406647583 15.999 > 10 29 O 0.86907745009584 0.44571568027878 0.46967680258805 15.999 > 11 30 O 0.86907745009584 0.94571568027878 0.46967680258805 15.999 > 11 *31 O 0.93537964568676 0.24463273372357 0.57086147720307 15.999 > 12 32 O 0.93537964568676 0.74463273372357 0.57086147720307 15.999 > 12 33 O 0.06462035431325 0.24463273372357 0.92913852279693 15.999 > 13 34 O 0.06462035431325 0.74463273372357 0.92913852279693 15.999 > 13 35 O 0.84314353552430 0.31218823406184 0.26941914701232 15.999 > 14 36 O 0.84314353552430 0.81218823406184 0.26941914701232 15.999 > 14 37 O 0.88074056443768 0.13916449229104 0.31157591280773 15.999 > 15 38 O 0.88074056443768 0.63916449229104 0.31157591280773 15.999 > 15 39 O 0.06901151710623 0.04535253780856 0.72272411947177 15.999 > 16 40 O 0.06901151710623 0.54535253780856 0.72272411947177 15.999 > 16 41 O 0.93098848289377 0.45464746219144 0.27727588052823 15.999 > 17 42 O 0.93098848289377 0.95464746219144 0.27727588052823 15.999 > 17 43 O 0.11925943556232 0.36083550770896 0.68842408719227 15.999 > 18 44 O 0.11925943556232 0.86083550770896 0.68842408719227 15.999 > 18 45 O 0.15685646447570 0.18781176593816 0.73058085298768 15.999 > 19 46 O 0.15685646447570 0.68781176593816 0.73058085298768 15.999 > 19 47 O 0.93537964568676 0.25536726627643 0.07086147720307 15.999 > 20 48 O 0.93537964568676 0.75536726627643 0.07086147720307 15.999 > 20 49 O 0.06462035431325 0.25536726627643 0.42913852279693 15.999 > 21 50 O 0.06462035431325 0.75536726627643 0.42913852279693 15.999 > 21 51 O 0.13092254990416 0.05428431972122 0.53032319741195 15.999 > 22 52 O 0.13092254990416 0.55428431972122 0.53032319741195 15.999 > 22 53 O 0.25384826078443 0.03900433118402 0.85339593352417 15.999 > 23 54 O 0.25384826078443 0.53900433118402 0.85339593352417 15.999 > 23 55 O 0.06901151710623 0.45464746219144 0.22272411947177 15.999 > 24 56 O 0.06901151710623 0.95464746219144 0.22272411947177 15.999 > 24 57 O 0.24615173921557 0.28900433118402 0.64660406647583 15.999 > 25 58 O 0.24615173921557 0.78900433118402 0.64660406647583 15.999 > 25 59 O 0.36907745009584 0.30428431972122 0.96967680258805 15.999 > 26 60 O 0.36907745009584 0.80428431972122 0.96967680258805 15.999 > 26 61 O 0.34314353552430 0.43781176593816 0.76941914701232 15.999 > 27 62 O 0.34314353552430 0.93781176593816 0.76941914701232 15.999 > 27 63 O 0.38074056443768 0.11083550770896 0.81157591280773 15.999 > 28 64 O 0.38074056443768 0.61083550770896 0.81157591280773 15.999 > 28 65 O 0.11925943556232 0.13916449229104 0.18842408719227 15.999 > 5 66 O 0.11925943556232 0.63916449229104 0.18842408719227 15.999 > 5 67 O 0.15685646447570 0.31218823406184 0.23058085298768 15.999 > 6 68 O 0.15685646447570 0.81218823406184 0.23058085298768 15.999 > 6 69 O 0.13092254990416 0.44571568027878 0.03032319741195 15.999 > 7 70 O 0.13092254990416 0.94571568027878 0.03032319741195 15.999 > 7 71 O 0.25384826078443 0.46099566881598 0.35339593352417 15.999 > 8 72 O 0.25384826078443 0.96099566881598 0.35339593352417 15.999 > 8 73 O 0.43098848289377 0.29535253780856 0.77727588052823 15.999 > 9 74 O 0.43098848289377 0.79535253780856 0.77727588052823 15.999 > 9 75 O 0.24615173921557 0.21099566881598 0.14660406647583 15.999 > 10 76 O 0.24615173921557 0.71099566881598 0.14660406647583 15.999 > 10 77 O 0.36907745009584 0.19571568027878 0.46967680258805 15.999 > 11 78 O 0.36907745009584 0.69571568027878 0.46967680258805 15.999 > 11 79 O 0.43537964568676 0.49463273372357 0.57086147720307 15.999 > 12 80 O 0.43537964568676 0.99463273372357 0.57086147720307 15.999 > 12 81 O 0.56462035431324 0.49463273372357 0.92913852279693 15.999 > 13 82 O 0.56462035431324 0.99463273372357 0.92913852279693 15.999 > 13 83 O 0.34314353552430 0.06218823406184 0.26941914701232 15.999 > 14 84 O 0.34314353552430 0.56218823406184 0.26941914701232 15.999 > 14 85 O 0.38074056443768 0.38916449229104 0.31157591280773 15.999 > 15 86 O 0.38074056443768 0.88916449229104 0.31157591280773 15.999 > 15 87 O 0.56901151710623 0.29535253780856 0.72272411947177 15.999 > 16 88 O 0.56901151710623 0.79535253780856 0.72272411947177 15.999 > 16 89 O 0.43098848289377 0.20464746219144 0.27727588052823 15.999 > 17 90 O 0.43098848289377 0.70464746219144 0.27727588052823 15.999 > 17 91 O 0.61925943556232 0.11083550770896 0.68842408719227 15.999 > 18 92 O 0.61925943556232 0.61083550770896 0.68842408719227 15.999 > 18 93 O 0.65685646447570 0.43781176593816 0.73058085298768 15.999 > 19 94 O 0.65685646447570 0.93781176593816 0.73058085298768 15.999 > 19 95 O 0.43537964568676 0.00536726627643 0.07086147720307 15.999 > 20 96 O 0.43537964568676 0.50536726627643 0.07086147720307 15.999 > 20 97 O 0.56462035431324 0.00536726627643 0.42913852279693 15.999 > 21 98 O 0.56462035431324 0.50536726627643 0.42913852279693 15.999 > 21 99 O 0.63092254990416 0.30428431972122 0.53032319741195 15.999 > 22 100 O 0.63092254990416 0.80428431972122 0.53032319741195 15.999 > 22 101 O 0.75384826078443 0.28900433118402 0.85339593352417 15.999 > 23 102 O 0.75384826078443 0.78900433118402 0.85339593352417 15.999 > 23 103 O 0.56901151710623 0.20464746219144 0.22272411947177 15.999 > 24 104 O 0.56901151710623 0.70464746219144 0.22272411947177 15.999 > 24 105 O 0.74615173921557 0.03900433118402 0.64660406647583 15.999 > 25 106 O 0.74615173921557 0.53900433118402 0.64660406647583 15.999 > 25 107 O 0.86907745009584 0.05428431972122 0.96967680258805 15.999 > 26 108 O 0.86907745009584 0.55428431972122 0.96967680258805 15.999 > 26 109 O 0.84314353552430 0.18781176593816 0.76941914701232 15.999 > 27 110 O 0.84314353552430 0.68781176593816 0.76941914701232 15.999 > 27 111 O 0.88074056443768 0.36083550770896 0.81157591280773 15.999 > 28 112 O 0.88074056443768 0.86083550770896 0.81157591280773 15.999 > 28 *113 P 0.64650635409190 0.17459712120417 0.19517531146316 30.974 > 29 114 P 0.64650635409190 0.67459712120417 0.19517531146316 30.974 > 29 *115 P 0.63861700161214 0.47222157400733 0.11551823234354 30.974 > 30 116 P 0.63861700161214 0.97222157400733 0.11551823234354 30.974 > 30 117 P 0.86138299838786 0.22222157400733 0.38448176765646 30.974 > 31 118 P 0.86138299838786 0.72222157400733 0.38448176765646 30.974 > 31 119 P 0.85349364590810 0.42459712120417 0.30482468853685 30.974 > 32 120 P 0.85349364590810 0.92459712120417 0.30482468853685 30.974 > 32 121 P 0.14650635409190 0.07540287879583 0.69517531146316 30.974 > 33 122 P 0.14650635409190 0.57540287879583 0.69517531146316 30.974 > 33 123 P 0.13861700161214 0.27777842599267 0.61551823234354 30.974 > 34 124 P 0.13861700161214 0.77777842599267 0.61551823234354 30.974 > 34 125 P 0.36138299838786 0.02777842599267 0.88448176765646 30.974 > 35 126 P 0.36138299838786 0.52777842599267 0.88448176765646 30.974 > 35 127 P 0.35349364590810 0.32540287879583 0.80482468853684 30.974 > 36 128 P 0.35349364590810 0.82540287879583 0.80482468853684 30.974 > 36 129 P 0.14650635409190 0.42459712120417 0.19517531146316 30.974 > 29 130 P 0.14650635409190 0.92459712120417 0.19517531146316 30.974 > 29 131 P 0.13861700161214 0.22222157400733 0.11551823234354 30.974 > 30 132 P 0.13861700161214 0.72222157400733 0.11551823234354 30.974 > 30 133 P 0.36138299838786 0.47222157400733 0.38448176765646 30.974 > 31 134 P 0.36138299838786 0.97222157400733 0.38448176765646 30.974 > 31 135 P 0.35349364590810 0.17459712120417 0.30482468853685 30.974 > 32 136 P 0.35349364590810 0.67459712120417 0.30482468853685 30.974 > 32 137 P 0.64650635409190 0.32540287879583 0.69517531146316 30.974 > 33 138 P 0.64650635409190 0.82540287879583 0.69517531146316 30.974 > 33 139 P 0.63861700161214 0.02777842599267 0.61551823234354 30.974 > 34 140 P 0.63861700161214 0.52777842599267 0.61551823234354 30.974 > 34 141 P 0.86138299838786 0.27777842599267 0.88448176765646 30.974 > 35 142 P 0.86138299838786 0.77777842599267 0.88448176765646 30.974 > 35 143 P 0.85349364590810 0.07540287879583 0.80482468853684 30.974 > 36 144 P 0.85349364590810 0.57540287879583 0.80482468853684 30.974 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0723394 0.0000000 -0.0039115 0.0000000 3.0624018 0.0000000 -0.0039110 0.0000000 3.0696925 -------------------------- Born effective charges -------------------------- 1 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 2 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 3 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 4 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 5 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 6 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 7 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 8 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 9 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 10 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 11 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 12 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 13 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 14 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 15 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 16 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 17 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 18 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 19 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 20 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 21 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 22 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 23 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 24 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 25 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 26 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 27 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 28 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 29 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 30 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 31 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 32 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 33 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 34 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 35 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 36 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 32), data: (1280, 48) @ (48, 32) |-- (280, 264), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 32), data: (1280, 48) @ (48, 32) |-- (280, 264), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.871 Solver_block: 200 / 1120 - Time: 1.661 Solver_block: 300 / 1120 - Time: 1.665 Solver_block: 400 / 1120 - Time: 1.664 Solver_block: 500 / 1120 - Time: 1.665 Solver_block: 600 / 1120 - Time: 1.666 Solver_block: 700 / 1120 - Time: 1.666 Solver_block: 800 / 1120 - Time: 1.663 Solver_block: 900 / 1120 - Time: 1.666 Solver_block: 1000 / 1120 - Time: 1.667 Solver_block: 1100 / 1120 - Time: 1.667 Solver_block: 1120 / 1120 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.586 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 264 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 32), data: (1280, 48) @ (48, 32) |-- (280, 264), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 32), data: (1280, 48) @ (48, 32) |-- (280, 264), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), 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 09:33:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:55]------------------------- 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 8.190507885061519 -3.524722890000000 0.000000000000000 b 8.190507885061519 3.524722890000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): 1 Bi 0.19680703393823 0.80319296606177 0.75000000000000 208.980 2 Bi 0.80319296606177 0.19680703393823 0.25000000000000 208.980 3 Li 0.70173963676866 0.29826036323134 0.75000000000000 6.941 4 Li 0.29826036323134 0.70173963676866 0.25000000000000 6.941 5 O 0.84093045098024 0.39758842014440 0.18842408719227 15.999 6 O 0.53247999635202 0.78123293259939 0.23058085298768 15.999 7 O 0.23949118934661 0.02235391046172 0.03032319741195 15.999 8 O 0.33185692315246 0.17583959841640 0.35339593352417 15.999 9 O 0.84028340727664 0.02169355851090 0.77727588052823 15.999 10 O 0.82416040158360 0.66814307684754 0.14660406647583 15.999 11 O 0.97764608953828 0.76050881065339 0.46967680258805 15.999 12 O 0.44611417823961 0.42464511313390 0.57086147720307 15.999 13 O 0.57535488686610 0.55388582176039 0.92913852279693 15.999 14 O 0.21876706740061 0.46752000364798 0.26941914701232 15.999 15 O 0.60241157985560 0.15906954901976 0.31157591280773 15.999 16 O 0.97830644148910 0.15971659272336 0.72272411947177 15.999 17 O 0.02169355851090 0.84028340727664 0.27727588052823 15.999 18 O 0.39758842014440 0.84093045098024 0.68842408719227 15.999 19 O 0.78123293259939 0.53247999635202 0.73058085298768 15.999 20 O 0.42464511313390 0.44611417823961 0.07086147720307 15.999 21 O 0.55388582176039 0.57535488686610 0.42913852279693 15.999 22 O 0.02235391046172 0.23949118934661 0.53032319741195 15.999 23 O 0.17583959841640 0.33185692315246 0.85339593352417 15.999 24 O 0.15971659272336 0.97830644148910 0.22272411947177 15.999 25 O 0.66814307684754 0.82416040158360 0.64660406647583 15.999 26 O 0.76050881065339 0.97764608953828 0.96967680258805 15.999 27 O 0.46752000364798 0.21876706740061 0.76941914701232 15.999 28 O 0.15906954901976 0.60241157985560 0.81157591280773 15.999 29 P 0.29731211168355 0.99570059650025 0.19517531146316 30.974 30 P 0.69417385359748 0.58306014962680 0.11551823234354 30.974 31 P 0.41693985037320 0.30582614640252 0.38448176765646 30.974 32 P 0.00429940349975 0.70268788831645 0.30482468853685 30.974 33 P 0.99570059650025 0.29731211168355 0.69517531146316 30.974 34 P 0.58306014962680 0.69417385359748 0.61551823234354 30.974 35 P 0.30582614640252 0.41693985037320 0.88448176765646 30.974 36 P 0.70268788831645 0.00429940349975 0.80482468853684 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.381015770123039 0.000000000000000 0.000000000000000 b 0.000000000000000 14.098891560000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): 1 Bi 0.00000000000000 0.40159648303088 0.75000000000000 208.980 > 1 2 Bi 0.00000000000000 0.90159648303088 0.75000000000000 208.980 > 1 3 Bi 0.00000000000000 0.09840351696912 0.25000000000000 208.980 > 3 4 Bi 0.00000000000000 0.59840351696912 0.25000000000000 208.980 > 3 5 Bi 0.50000000000000 0.15159648303088 0.75000000000000 208.980 > 1 6 Bi 0.50000000000000 0.65159648303088 0.75000000000000 208.980 > 1 7 Bi 0.50000000000000 0.34840351696912 0.25000000000000 208.980 > 3 8 Bi 0.50000000000000 0.84840351696912 0.25000000000000 208.980 > 3 9 Li 0.00000000000000 0.14913018161567 0.75000000000000 6.941 > 9 10 Li 0.00000000000000 0.64913018161567 0.75000000000000 6.941 > 9 11 Li 0.00000000000000 0.35086981838433 0.25000000000000 6.941 > 11 12 Li 0.00000000000000 0.85086981838433 0.25000000000000 6.941 > 11 13 Li 0.50000000000000 0.39913018161567 0.75000000000000 6.941 > 9 14 Li 0.50000000000000 0.89913018161567 0.75000000000000 6.941 > 9 15 Li 0.50000000000000 0.10086981838433 0.25000000000000 6.941 > 11 16 Li 0.50000000000000 0.60086981838433 0.25000000000000 6.941 > 11 17 O 0.61925943556232 0.38916449229104 0.18842408719227 15.999 > 17 18 O 0.61925943556232 0.88916449229104 0.18842408719227 15.999 > 17 19 O 0.65685646447570 0.06218823406184 0.23058085298768 15.999 > 19 20 O 0.65685646447570 0.56218823406184 0.23058085298768 15.999 > 19 21 O 0.63092254990416 0.19571568027878 0.03032319741195 15.999 > 21 22 O 0.63092254990416 0.69571568027878 0.03032319741195 15.999 > 21 23 O 0.75384826078443 0.21099566881598 0.35339593352417 15.999 > 23 24 O 0.75384826078443 0.71099566881598 0.35339593352417 15.999 > 23 25 O 0.93098848289377 0.04535253780856 0.77727588052823 15.999 > 25 26 O 0.93098848289377 0.54535253780856 0.77727588052823 15.999 > 25 27 O 0.74615173921557 0.46099566881598 0.14660406647583 15.999 > 27 28 O 0.74615173921557 0.96099566881598 0.14660406647583 15.999 > 27 29 O 0.86907745009584 0.44571568027878 0.46967680258805 15.999 > 29 30 O 0.86907745009584 0.94571568027878 0.46967680258805 15.999 > 29 31 O 0.93537964568676 0.24463273372357 0.57086147720307 15.999 > 31 32 O 0.93537964568676 0.74463273372357 0.57086147720307 15.999 > 31 33 O 0.06462035431325 0.24463273372357 0.92913852279693 15.999 > 33 34 O 0.06462035431325 0.74463273372357 0.92913852279693 15.999 > 33 35 O 0.84314353552430 0.31218823406184 0.26941914701232 15.999 > 35 36 O 0.84314353552430 0.81218823406184 0.26941914701232 15.999 > 35 37 O 0.88074056443768 0.13916449229104 0.31157591280773 15.999 > 37 38 O 0.88074056443768 0.63916449229104 0.31157591280773 15.999 > 37 39 O 0.06901151710623 0.04535253780856 0.72272411947177 15.999 > 39 40 O 0.06901151710623 0.54535253780856 0.72272411947177 15.999 > 39 41 O 0.93098848289377 0.45464746219144 0.27727588052823 15.999 > 41 42 O 0.93098848289377 0.95464746219144 0.27727588052823 15.999 > 41 43 O 0.11925943556232 0.36083550770896 0.68842408719227 15.999 > 43 44 O 0.11925943556232 0.86083550770896 0.68842408719227 15.999 > 43 45 O 0.15685646447570 0.18781176593816 0.73058085298768 15.999 > 45 46 O 0.15685646447570 0.68781176593816 0.73058085298768 15.999 > 45 47 O 0.93537964568676 0.25536726627643 0.07086147720307 15.999 > 47 48 O 0.93537964568676 0.75536726627643 0.07086147720307 15.999 > 47 49 O 0.06462035431325 0.25536726627643 0.42913852279693 15.999 > 49 50 O 0.06462035431325 0.75536726627643 0.42913852279693 15.999 > 49 51 O 0.13092254990416 0.05428431972122 0.53032319741195 15.999 > 51 52 O 0.13092254990416 0.55428431972122 0.53032319741195 15.999 > 51 53 O 0.25384826078443 0.03900433118402 0.85339593352417 15.999 > 53 54 O 0.25384826078443 0.53900433118402 0.85339593352417 15.999 > 53 55 O 0.06901151710623 0.45464746219144 0.22272411947177 15.999 > 55 56 O 0.06901151710623 0.95464746219144 0.22272411947177 15.999 > 55 57 O 0.24615173921557 0.28900433118402 0.64660406647583 15.999 > 57 58 O 0.24615173921557 0.78900433118402 0.64660406647583 15.999 > 57 59 O 0.36907745009584 0.30428431972122 0.96967680258805 15.999 > 59 60 O 0.36907745009584 0.80428431972122 0.96967680258805 15.999 > 59 61 O 0.34314353552430 0.43781176593816 0.76941914701232 15.999 > 61 62 O 0.34314353552430 0.93781176593816 0.76941914701232 15.999 > 61 63 O 0.38074056443768 0.11083550770896 0.81157591280773 15.999 > 63 64 O 0.38074056443768 0.61083550770896 0.81157591280773 15.999 > 63 65 O 0.11925943556232 0.13916449229104 0.18842408719227 15.999 > 17 66 O 0.11925943556232 0.63916449229104 0.18842408719227 15.999 > 17 67 O 0.15685646447570 0.31218823406184 0.23058085298768 15.999 > 19 68 O 0.15685646447570 0.81218823406184 0.23058085298768 15.999 > 19 69 O 0.13092254990416 0.44571568027878 0.03032319741195 15.999 > 21 70 O 0.13092254990416 0.94571568027878 0.03032319741195 15.999 > 21 71 O 0.25384826078443 0.46099566881598 0.35339593352417 15.999 > 23 72 O 0.25384826078443 0.96099566881598 0.35339593352417 15.999 > 23 73 O 0.43098848289377 0.29535253780856 0.77727588052823 15.999 > 25 74 O 0.43098848289377 0.79535253780856 0.77727588052823 15.999 > 25 75 O 0.24615173921557 0.21099566881598 0.14660406647583 15.999 > 27 76 O 0.24615173921557 0.71099566881598 0.14660406647583 15.999 > 27 77 O 0.36907745009584 0.19571568027878 0.46967680258805 15.999 > 29 78 O 0.36907745009584 0.69571568027878 0.46967680258805 15.999 > 29 79 O 0.43537964568676 0.49463273372357 0.57086147720307 15.999 > 31 80 O 0.43537964568676 0.99463273372357 0.57086147720307 15.999 > 31 81 O 0.56462035431324 0.49463273372357 0.92913852279693 15.999 > 33 82 O 0.56462035431324 0.99463273372357 0.92913852279693 15.999 > 33 83 O 0.34314353552430 0.06218823406184 0.26941914701232 15.999 > 35 84 O 0.34314353552430 0.56218823406184 0.26941914701232 15.999 > 35 85 O 0.38074056443768 0.38916449229104 0.31157591280773 15.999 > 37 86 O 0.38074056443768 0.88916449229104 0.31157591280773 15.999 > 37 87 O 0.56901151710623 0.29535253780856 0.72272411947177 15.999 > 39 88 O 0.56901151710623 0.79535253780856 0.72272411947177 15.999 > 39 89 O 0.43098848289377 0.20464746219144 0.27727588052823 15.999 > 41 90 O 0.43098848289377 0.70464746219144 0.27727588052823 15.999 > 41 91 O 0.61925943556232 0.11083550770896 0.68842408719227 15.999 > 43 92 O 0.61925943556232 0.61083550770896 0.68842408719227 15.999 > 43 93 O 0.65685646447570 0.43781176593816 0.73058085298768 15.999 > 45 94 O 0.65685646447570 0.93781176593816 0.73058085298768 15.999 > 45 95 O 0.43537964568676 0.00536726627643 0.07086147720307 15.999 > 47 96 O 0.43537964568676 0.50536726627643 0.07086147720307 15.999 > 47 97 O 0.56462035431324 0.00536726627643 0.42913852279693 15.999 > 49 98 O 0.56462035431324 0.50536726627643 0.42913852279693 15.999 > 49 99 O 0.63092254990416 0.30428431972122 0.53032319741195 15.999 > 51 100 O 0.63092254990416 0.80428431972122 0.53032319741195 15.999 > 51 101 O 0.75384826078443 0.28900433118402 0.85339593352417 15.999 > 53 102 O 0.75384826078443 0.78900433118402 0.85339593352417 15.999 > 53 103 O 0.56901151710623 0.20464746219144 0.22272411947177 15.999 > 55 104 O 0.56901151710623 0.70464746219144 0.22272411947177 15.999 > 55 105 O 0.74615173921557 0.03900433118402 0.64660406647583 15.999 > 57 106 O 0.74615173921557 0.53900433118402 0.64660406647583 15.999 > 57 107 O 0.86907745009584 0.05428431972122 0.96967680258805 15.999 > 59 108 O 0.86907745009584 0.55428431972122 0.96967680258805 15.999 > 59 109 O 0.84314353552430 0.18781176593816 0.76941914701232 15.999 > 61 110 O 0.84314353552430 0.68781176593816 0.76941914701232 15.999 > 61 111 O 0.88074056443768 0.36083550770896 0.81157591280773 15.999 > 63 112 O 0.88074056443768 0.86083550770896 0.81157591280773 15.999 > 63 113 P 0.64650635409190 0.17459712120417 0.19517531146316 30.974 > 113 114 P 0.64650635409190 0.67459712120417 0.19517531146316 30.974 > 113 115 P 0.63861700161214 0.47222157400733 0.11551823234354 30.974 > 115 116 P 0.63861700161214 0.97222157400733 0.11551823234354 30.974 > 115 117 P 0.86138299838786 0.22222157400733 0.38448176765646 30.974 > 117 118 P 0.86138299838786 0.72222157400733 0.38448176765646 30.974 > 117 119 P 0.85349364590810 0.42459712120417 0.30482468853685 30.974 > 119 120 P 0.85349364590810 0.92459712120417 0.30482468853685 30.974 > 119 121 P 0.14650635409190 0.07540287879583 0.69517531146316 30.974 > 121 122 P 0.14650635409190 0.57540287879583 0.69517531146316 30.974 > 121 123 P 0.13861700161214 0.27777842599267 0.61551823234354 30.974 > 123 124 P 0.13861700161214 0.77777842599267 0.61551823234354 30.974 > 123 125 P 0.36138299838786 0.02777842599267 0.88448176765646 30.974 > 125 126 P 0.36138299838786 0.52777842599267 0.88448176765646 30.974 > 125 127 P 0.35349364590810 0.32540287879583 0.80482468853684 30.974 > 127 128 P 0.35349364590810 0.82540287879583 0.80482468853684 30.974 > 127 129 P 0.14650635409190 0.42459712120417 0.19517531146316 30.974 > 113 130 P 0.14650635409190 0.92459712120417 0.19517531146316 30.974 > 113 131 P 0.13861700161214 0.22222157400733 0.11551823234354 30.974 > 115 132 P 0.13861700161214 0.72222157400733 0.11551823234354 30.974 > 115 133 P 0.36138299838786 0.47222157400733 0.38448176765646 30.974 > 117 134 P 0.36138299838786 0.97222157400733 0.38448176765646 30.974 > 117 135 P 0.35349364590810 0.17459712120417 0.30482468853685 30.974 > 119 136 P 0.35349364590810 0.67459712120417 0.30482468853685 30.974 > 119 137 P 0.64650635409190 0.32540287879583 0.69517531146316 30.974 > 121 138 P 0.64650635409190 0.82540287879583 0.69517531146316 30.974 > 121 139 P 0.63861700161214 0.02777842599267 0.61551823234354 30.974 > 123 140 P 0.63861700161214 0.52777842599267 0.61551823234354 30.974 > 123 141 P 0.86138299838786 0.27777842599267 0.88448176765646 30.974 > 125 142 P 0.86138299838786 0.77777842599267 0.88448176765646 30.974 > 125 143 P 0.85349364590810 0.07540287879583 0.80482468853684 30.974 > 127 144 P 0.85349364590810 0.57540287879583 0.80482468853684 30.974 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0723394 0.0000000 -0.0039115 0.0000000 3.0624018 0.0000000 -0.0039110 0.0000000 3.0696925 -------------------------- Born effective charges -------------------------- 1 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 2 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 3 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 4 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 5 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 6 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 7 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 8 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 9 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 10 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 11 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 12 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 13 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 14 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 15 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 16 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 17 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 18 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 19 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 20 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 21 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 22 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 23 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 24 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 25 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 26 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 27 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 28 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 29 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 30 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 31 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 32 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 33 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 34 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 35 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 36 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 19, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 23, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 31, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 113, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 115, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 09:35:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:02]------------------------- 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 8.190507885061519 -3.524722890000000 0.000000000000000 b 8.190507885061519 3.524722890000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): 1 Bi 0.19680703393823 0.80319296606177 0.75000000000000 208.980 2 Bi 0.80319296606177 0.19680703393823 0.25000000000000 208.980 3 Li 0.70173963676866 0.29826036323134 0.75000000000000 6.941 4 Li 0.29826036323134 0.70173963676866 0.25000000000000 6.941 5 O 0.84093045098024 0.39758842014440 0.18842408719227 15.999 6 O 0.53247999635202 0.78123293259939 0.23058085298768 15.999 7 O 0.23949118934661 0.02235391046172 0.03032319741195 15.999 8 O 0.33185692315246 0.17583959841640 0.35339593352417 15.999 9 O 0.84028340727664 0.02169355851090 0.77727588052823 15.999 10 O 0.82416040158360 0.66814307684754 0.14660406647583 15.999 11 O 0.97764608953828 0.76050881065339 0.46967680258805 15.999 12 O 0.44611417823961 0.42464511313390 0.57086147720307 15.999 13 O 0.57535488686610 0.55388582176039 0.92913852279693 15.999 14 O 0.21876706740061 0.46752000364798 0.26941914701232 15.999 15 O 0.60241157985560 0.15906954901976 0.31157591280773 15.999 16 O 0.97830644148910 0.15971659272336 0.72272411947177 15.999 17 O 0.02169355851090 0.84028340727664 0.27727588052823 15.999 18 O 0.39758842014440 0.84093045098024 0.68842408719227 15.999 19 O 0.78123293259939 0.53247999635202 0.73058085298768 15.999 20 O 0.42464511313390 0.44611417823961 0.07086147720307 15.999 21 O 0.55388582176039 0.57535488686610 0.42913852279693 15.999 22 O 0.02235391046172 0.23949118934661 0.53032319741195 15.999 23 O 0.17583959841640 0.33185692315246 0.85339593352417 15.999 24 O 0.15971659272336 0.97830644148910 0.22272411947177 15.999 25 O 0.66814307684754 0.82416040158360 0.64660406647583 15.999 26 O 0.76050881065339 0.97764608953828 0.96967680258805 15.999 27 O 0.46752000364798 0.21876706740061 0.76941914701232 15.999 28 O 0.15906954901976 0.60241157985560 0.81157591280773 15.999 29 P 0.29731211168355 0.99570059650025 0.19517531146316 30.974 30 P 0.69417385359748 0.58306014962680 0.11551823234354 30.974 31 P 0.41693985037320 0.30582614640252 0.38448176765646 30.974 32 P 0.00429940349975 0.70268788831645 0.30482468853685 30.974 33 P 0.99570059650025 0.29731211168355 0.69517531146316 30.974 34 P 0.58306014962680 0.69417385359748 0.61551823234354 30.974 35 P 0.30582614640252 0.41693985037320 0.88448176765646 30.974 36 P 0.70268788831645 0.00429940349975 0.80482468853684 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.381015770123039 0.000000000000000 0.000000000000000 b 0.000000000000000 14.098891560000000 0.000000000000000 c -5.733538821242397 0.000000000000000 7.854115077848546 Atomic positions (fractional): 1 Bi 0.00000000000000 0.40159648303088 0.75000000000000 208.980 > 1 2 Bi 0.00000000000000 0.90159648303088 0.75000000000000 208.980 > 1 3 Bi 0.00000000000000 0.09840351696912 0.25000000000000 208.980 > 3 4 Bi 0.00000000000000 0.59840351696912 0.25000000000000 208.980 > 3 5 Bi 0.50000000000000 0.15159648303088 0.75000000000000 208.980 > 1 6 Bi 0.50000000000000 0.65159648303088 0.75000000000000 208.980 > 1 7 Bi 0.50000000000000 0.34840351696912 0.25000000000000 208.980 > 3 8 Bi 0.50000000000000 0.84840351696912 0.25000000000000 208.980 > 3 9 Li 0.00000000000000 0.14913018161567 0.75000000000000 6.941 > 9 10 Li 0.00000000000000 0.64913018161567 0.75000000000000 6.941 > 9 11 Li 0.00000000000000 0.35086981838433 0.25000000000000 6.941 > 11 12 Li 0.00000000000000 0.85086981838433 0.25000000000000 6.941 > 11 13 Li 0.50000000000000 0.39913018161567 0.75000000000000 6.941 > 9 14 Li 0.50000000000000 0.89913018161567 0.75000000000000 6.941 > 9 15 Li 0.50000000000000 0.10086981838433 0.25000000000000 6.941 > 11 16 Li 0.50000000000000 0.60086981838433 0.25000000000000 6.941 > 11 17 O 0.61925943556232 0.38916449229104 0.18842408719227 15.999 > 17 18 O 0.61925943556232 0.88916449229104 0.18842408719227 15.999 > 17 19 O 0.65685646447570 0.06218823406184 0.23058085298768 15.999 > 19 20 O 0.65685646447570 0.56218823406184 0.23058085298768 15.999 > 19 21 O 0.63092254990416 0.19571568027878 0.03032319741195 15.999 > 21 22 O 0.63092254990416 0.69571568027878 0.03032319741195 15.999 > 21 23 O 0.75384826078443 0.21099566881598 0.35339593352417 15.999 > 23 24 O 0.75384826078443 0.71099566881598 0.35339593352417 15.999 > 23 25 O 0.93098848289377 0.04535253780856 0.77727588052823 15.999 > 25 26 O 0.93098848289377 0.54535253780856 0.77727588052823 15.999 > 25 27 O 0.74615173921557 0.46099566881598 0.14660406647583 15.999 > 27 28 O 0.74615173921557 0.96099566881598 0.14660406647583 15.999 > 27 29 O 0.86907745009584 0.44571568027878 0.46967680258805 15.999 > 29 30 O 0.86907745009584 0.94571568027878 0.46967680258805 15.999 > 29 31 O 0.93537964568676 0.24463273372357 0.57086147720307 15.999 > 31 32 O 0.93537964568676 0.74463273372357 0.57086147720307 15.999 > 31 33 O 0.06462035431325 0.24463273372357 0.92913852279693 15.999 > 33 34 O 0.06462035431325 0.74463273372357 0.92913852279693 15.999 > 33 35 O 0.84314353552430 0.31218823406184 0.26941914701232 15.999 > 35 36 O 0.84314353552430 0.81218823406184 0.26941914701232 15.999 > 35 37 O 0.88074056443768 0.13916449229104 0.31157591280773 15.999 > 37 38 O 0.88074056443768 0.63916449229104 0.31157591280773 15.999 > 37 39 O 0.06901151710623 0.04535253780856 0.72272411947177 15.999 > 39 40 O 0.06901151710623 0.54535253780856 0.72272411947177 15.999 > 39 41 O 0.93098848289377 0.45464746219144 0.27727588052823 15.999 > 41 42 O 0.93098848289377 0.95464746219144 0.27727588052823 15.999 > 41 43 O 0.11925943556232 0.36083550770896 0.68842408719227 15.999 > 43 44 O 0.11925943556232 0.86083550770896 0.68842408719227 15.999 > 43 45 O 0.15685646447570 0.18781176593816 0.73058085298768 15.999 > 45 46 O 0.15685646447570 0.68781176593816 0.73058085298768 15.999 > 45 47 O 0.93537964568676 0.25536726627643 0.07086147720307 15.999 > 47 48 O 0.93537964568676 0.75536726627643 0.07086147720307 15.999 > 47 49 O 0.06462035431325 0.25536726627643 0.42913852279693 15.999 > 49 50 O 0.06462035431325 0.75536726627643 0.42913852279693 15.999 > 49 51 O 0.13092254990416 0.05428431972122 0.53032319741195 15.999 > 51 52 O 0.13092254990416 0.55428431972122 0.53032319741195 15.999 > 51 53 O 0.25384826078443 0.03900433118402 0.85339593352417 15.999 > 53 54 O 0.25384826078443 0.53900433118402 0.85339593352417 15.999 > 53 55 O 0.06901151710623 0.45464746219144 0.22272411947177 15.999 > 55 56 O 0.06901151710623 0.95464746219144 0.22272411947177 15.999 > 55 57 O 0.24615173921557 0.28900433118402 0.64660406647583 15.999 > 57 58 O 0.24615173921557 0.78900433118402 0.64660406647583 15.999 > 57 59 O 0.36907745009584 0.30428431972122 0.96967680258805 15.999 > 59 60 O 0.36907745009584 0.80428431972122 0.96967680258805 15.999 > 59 61 O 0.34314353552430 0.43781176593816 0.76941914701232 15.999 > 61 62 O 0.34314353552430 0.93781176593816 0.76941914701232 15.999 > 61 63 O 0.38074056443768 0.11083550770896 0.81157591280773 15.999 > 63 64 O 0.38074056443768 0.61083550770896 0.81157591280773 15.999 > 63 65 O 0.11925943556232 0.13916449229104 0.18842408719227 15.999 > 17 66 O 0.11925943556232 0.63916449229104 0.18842408719227 15.999 > 17 67 O 0.15685646447570 0.31218823406184 0.23058085298768 15.999 > 19 68 O 0.15685646447570 0.81218823406184 0.23058085298768 15.999 > 19 69 O 0.13092254990416 0.44571568027878 0.03032319741195 15.999 > 21 70 O 0.13092254990416 0.94571568027878 0.03032319741195 15.999 > 21 71 O 0.25384826078443 0.46099566881598 0.35339593352417 15.999 > 23 72 O 0.25384826078443 0.96099566881598 0.35339593352417 15.999 > 23 73 O 0.43098848289377 0.29535253780856 0.77727588052823 15.999 > 25 74 O 0.43098848289377 0.79535253780856 0.77727588052823 15.999 > 25 75 O 0.24615173921557 0.21099566881598 0.14660406647583 15.999 > 27 76 O 0.24615173921557 0.71099566881598 0.14660406647583 15.999 > 27 77 O 0.36907745009584 0.19571568027878 0.46967680258805 15.999 > 29 78 O 0.36907745009584 0.69571568027878 0.46967680258805 15.999 > 29 79 O 0.43537964568676 0.49463273372357 0.57086147720307 15.999 > 31 80 O 0.43537964568676 0.99463273372357 0.57086147720307 15.999 > 31 81 O 0.56462035431324 0.49463273372357 0.92913852279693 15.999 > 33 82 O 0.56462035431324 0.99463273372357 0.92913852279693 15.999 > 33 83 O 0.34314353552430 0.06218823406184 0.26941914701232 15.999 > 35 84 O 0.34314353552430 0.56218823406184 0.26941914701232 15.999 > 35 85 O 0.38074056443768 0.38916449229104 0.31157591280773 15.999 > 37 86 O 0.38074056443768 0.88916449229104 0.31157591280773 15.999 > 37 87 O 0.56901151710623 0.29535253780856 0.72272411947177 15.999 > 39 88 O 0.56901151710623 0.79535253780856 0.72272411947177 15.999 > 39 89 O 0.43098848289377 0.20464746219144 0.27727588052823 15.999 > 41 90 O 0.43098848289377 0.70464746219144 0.27727588052823 15.999 > 41 91 O 0.61925943556232 0.11083550770896 0.68842408719227 15.999 > 43 92 O 0.61925943556232 0.61083550770896 0.68842408719227 15.999 > 43 93 O 0.65685646447570 0.43781176593816 0.73058085298768 15.999 > 45 94 O 0.65685646447570 0.93781176593816 0.73058085298768 15.999 > 45 95 O 0.43537964568676 0.00536726627643 0.07086147720307 15.999 > 47 96 O 0.43537964568676 0.50536726627643 0.07086147720307 15.999 > 47 97 O 0.56462035431324 0.00536726627643 0.42913852279693 15.999 > 49 98 O 0.56462035431324 0.50536726627643 0.42913852279693 15.999 > 49 99 O 0.63092254990416 0.30428431972122 0.53032319741195 15.999 > 51 100 O 0.63092254990416 0.80428431972122 0.53032319741195 15.999 > 51 101 O 0.75384826078443 0.28900433118402 0.85339593352417 15.999 > 53 102 O 0.75384826078443 0.78900433118402 0.85339593352417 15.999 > 53 103 O 0.56901151710623 0.20464746219144 0.22272411947177 15.999 > 55 104 O 0.56901151710623 0.70464746219144 0.22272411947177 15.999 > 55 105 O 0.74615173921557 0.03900433118402 0.64660406647583 15.999 > 57 106 O 0.74615173921557 0.53900433118402 0.64660406647583 15.999 > 57 107 O 0.86907745009584 0.05428431972122 0.96967680258805 15.999 > 59 108 O 0.86907745009584 0.55428431972122 0.96967680258805 15.999 > 59 109 O 0.84314353552430 0.18781176593816 0.76941914701232 15.999 > 61 110 O 0.84314353552430 0.68781176593816 0.76941914701232 15.999 > 61 111 O 0.88074056443768 0.36083550770896 0.81157591280773 15.999 > 63 112 O 0.88074056443768 0.86083550770896 0.81157591280773 15.999 > 63 113 P 0.64650635409190 0.17459712120417 0.19517531146316 30.974 > 113 114 P 0.64650635409190 0.67459712120417 0.19517531146316 30.974 > 113 115 P 0.63861700161214 0.47222157400733 0.11551823234354 30.974 > 115 116 P 0.63861700161214 0.97222157400733 0.11551823234354 30.974 > 115 117 P 0.86138299838786 0.22222157400733 0.38448176765646 30.974 > 117 118 P 0.86138299838786 0.72222157400733 0.38448176765646 30.974 > 117 119 P 0.85349364590810 0.42459712120417 0.30482468853685 30.974 > 119 120 P 0.85349364590810 0.92459712120417 0.30482468853685 30.974 > 119 121 P 0.14650635409190 0.07540287879583 0.69517531146316 30.974 > 121 122 P 0.14650635409190 0.57540287879583 0.69517531146316 30.974 > 121 123 P 0.13861700161214 0.27777842599267 0.61551823234354 30.974 > 123 124 P 0.13861700161214 0.77777842599267 0.61551823234354 30.974 > 123 125 P 0.36138299838786 0.02777842599267 0.88448176765646 30.974 > 125 126 P 0.36138299838786 0.52777842599267 0.88448176765646 30.974 > 125 127 P 0.35349364590810 0.32540287879583 0.80482468853684 30.974 > 127 128 P 0.35349364590810 0.82540287879583 0.80482468853684 30.974 > 127 129 P 0.14650635409190 0.42459712120417 0.19517531146316 30.974 > 113 130 P 0.14650635409190 0.92459712120417 0.19517531146316 30.974 > 113 131 P 0.13861700161214 0.22222157400733 0.11551823234354 30.974 > 115 132 P 0.13861700161214 0.72222157400733 0.11551823234354 30.974 > 115 133 P 0.36138299838786 0.47222157400733 0.38448176765646 30.974 > 117 134 P 0.36138299838786 0.97222157400733 0.38448176765646 30.974 > 117 135 P 0.35349364590810 0.17459712120417 0.30482468853685 30.974 > 119 136 P 0.35349364590810 0.67459712120417 0.30482468853685 30.974 > 119 137 P 0.64650635409190 0.32540287879583 0.69517531146316 30.974 > 121 138 P 0.64650635409190 0.82540287879583 0.69517531146316 30.974 > 121 139 P 0.63861700161214 0.02777842599267 0.61551823234354 30.974 > 123 140 P 0.63861700161214 0.52777842599267 0.61551823234354 30.974 > 123 141 P 0.86138299838786 0.27777842599267 0.88448176765646 30.974 > 125 142 P 0.86138299838786 0.77777842599267 0.88448176765646 30.974 > 125 143 P 0.85349364590810 0.07540287879583 0.80482468853684 30.974 > 127 144 P 0.85349364590810 0.57540287879583 0.80482468853684 30.974 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0723394 0.0000000 -0.0039115 0.0000000 3.0624018 0.0000000 -0.0039110 0.0000000 3.0696925 -------------------------- Born effective charges -------------------------- 1 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 2 Bi 4.7520044 -0.0000000 -0.6007298 0.0000000 4.7494932 -0.0000000 -0.4636143 -0.0000000 5.2291330 3 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 4 Li 1.0732345 -0.0000000 -0.1247922 0.0000000 1.1785288 -0.0000000 -0.1394182 -0.0000000 1.0564202 5 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 6 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 7 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 8 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 9 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 10 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 11 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 12 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 13 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 14 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 15 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 16 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 17 O -2.4084084 -0.6699636 0.2203907 -1.0065123 -1.9068573 0.2242937 0.4171307 0.1553693 -1.0068746 18 O -2.2841218 0.9194136 0.5100667 0.7126332 -1.7707621 -0.4893819 0.2599231 -0.3797172 -1.1187025 19 O -1.0607407 -0.1672651 0.0493891 -0.3337713 -3.1754071 0.4415468 0.0539288 0.2047948 -1.1377049 20 O -1.0442917 -0.0522827 -0.0558299 0.0609331 -1.5842345 0.4963321 -0.1902478 0.5231466 -2.2888245 21 O -1.0442917 0.0522827 -0.0558299 -0.0609331 -1.5842345 -0.4963321 -0.1902478 -0.5231466 -2.2888245 22 O -1.0131914 0.0682654 -0.0633503 -0.0328898 -1.0435455 0.3109727 0.3009264 0.0881897 -2.9808683 23 O -2.8306905 0.3109593 -1.0996175 0.5341223 -1.1189893 0.4787620 -1.0581581 0.3530862 -1.8277679 24 O -2.4084084 0.6699636 0.2203907 1.0065123 -1.9068573 -0.2242937 0.4171307 -0.1553693 -1.0068746 25 O -2.8306905 -0.3109593 -1.0996175 -0.5341223 -1.1189893 -0.4787620 -1.0581581 -0.3530862 -1.8277679 26 O -1.0131914 -0.0682654 -0.0633503 0.0328898 -1.0435455 -0.3109727 0.3009264 -0.0881897 -2.9808683 27 O -1.0607407 0.1672651 0.0493891 0.3337713 -3.1754071 -0.4415468 0.0539288 -0.2047948 -1.1377049 28 O -2.2841218 -0.9194136 0.5100667 -0.7126332 -1.7707621 0.4893819 0.2599231 0.3797172 -1.1187025 29 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 30 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 31 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 32 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 33 P 3.9186817 -0.1376264 0.8520878 0.6120233 3.7964503 -0.3713609 -0.4810684 -0.0328146 3.7385823 34 P 3.8101432 -0.6050659 -0.0503756 0.4128063 3.8393345 0.0521012 0.9990816 0.3958958 3.4793838 35 P 3.8101432 0.6050659 -0.0503756 -0.4128063 3.8393345 -0.0521012 0.9990816 -0.3958958 3.4793838 36 P 3.9186817 0.1376264 0.8520878 -0.6120233 3.7964503 0.3713609 -0.4810684 0.0328146 3.7385823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) 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 ... [ 8 8 6 ] 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: 0.54, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 12.369 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.435 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.453 ( 0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.257 ( 0.000 0.000 0.000) 0.000 15.344 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.264 ( 0.000 0.000 0.000) 0.000 16.476 ( 0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.020 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 19.493 ( 0.000 0.000 0.000) 0.000 19.809 ( 0.000 0.000 0.000) 0.000 20.931 ( 0.000 0.000 0.000) 0.000 21.096 ( 0.000 0.000 0.000) 0.000 21.429 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 0.000) 0.000 23.087 ( 0.000 0.000 0.000) 0.000 23.313 ( 0.000 0.000 0.000) 0.000 26.803 ( 0.000 0.000 0.000) 0.000 26.808 ( 0.000 0.000 0.000) 0.000 29.189 ( 0.000 0.000 0.000) 0.000 29.296 ( 0.000 0.000 0.000) 0.000 29.558 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 30.355 ( 0.000 0.000 0.000) 0.000 30.520 ( 0.000 0.000 0.000) 0.000 31.101 ( 0.000 0.000 0.000) 0.000 31.114 ( 0.000 0.000 0.000) 0.000 31.718 ( 0.000 0.000 0.000) 0.000 31.744 ( 0.000 0.000 0.000) 0.000 31.958 ( 0.000 0.000 0.000) 0.000 32.102 ( 0.000 0.000 0.000) 0.000 33.162 ( 0.000 0.000 0.000) 0.000 33.670 ( 0.000 0.000 0.000) 0.000 34.851 ( 0.000 0.000 0.000) 0.000 34.879 ( 0.000 0.000 0.000) 0.000 35.060 ( 0.000 0.000 0.000) 0.000 35.253 ( 0.000 0.000 0.000) 0.000 35.260 ( 0.000 0.000 0.000) 0.000 35.367 ( 0.000 0.000 0.000) 0.000 35.419 ( 0.000 0.000 0.000) 0.000 37.773 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 15.461 -19.640 9.771) 26.837 0.660 ( 22.953 -23.494 9.795) 34.275 1.047 ( 17.340 -46.131 6.357) 49.691 1.841 ( 7.073 -4.475 6.581) 10.647 2.107 ( 1.942 -9.470 -1.272) 9.751 2.426 ( 4.139 2.920 1.282) 5.225 2.658 ( 2.182 4.078 -1.649) 4.910 2.790 ( -2.522 2.050 -1.018) 3.406 2.985 ( 1.075 -0.584 2.154) 2.477 3.101 ( -1.495 -1.600 -1.034) 2.421 3.248 ( 3.033 0.078 -0.868) 3.155 3.312 ( 1.598 3.090 -0.021) 3.479 3.340 ( -1.209 -0.128 3.493) 3.699 3.570 ( -27.968 -7.064 -8.558) 30.089 3.846 ( -6.895 -0.092 -0.271) 6.901 3.976 ( 0.967 -2.494 -4.384) 5.136 4.040 ( -3.502 4.310 -2.523) 6.100 4.222 ( 16.181 5.794 -6.187) 18.267 4.302 ( -3.328 0.268 3.120) 4.570 4.416 ( 8.292 1.893 -6.982) 11.004 4.650 ( -2.277 -5.296 6.336) 8.566 4.790 ( -7.298 -11.293 3.629) 13.927 4.929 ( 3.030 -0.081 0.744) 3.121 5.117 ( -0.143 2.437 -3.502) 4.269 5.268 ( 4.473 1.754 3.062) 5.697 5.410 ( 1.303 0.913 0.333) 1.625 5.594 ( 0.795 -0.605 -1.660) 1.937 5.761 ( -4.890 5.115 -3.551) 7.918 6.053 ( -1.857 3.676 -2.994) 5.092 6.266 ( -3.658 2.264 -3.840) 5.766 7.222 ( 1.877 2.757 7.775) 8.460 7.356 ( 4.349 -1.367 13.436) 14.188 7.906 ( -2.474 0.139 -1.588) 2.943 8.066 ( -1.607 -4.196 -0.837) 4.570 8.631 ( 12.459 3.183 1.424) 12.938 8.773 ( 3.455 -2.564 0.899) 4.395 8.883 ( -3.785 1.893 2.879) 5.118 8.989 ( 6.484 3.141 -0.558) 7.226 9.119 ( 0.347 -0.546 0.511) 0.824 9.360 ( 2.607 1.220 -5.909) 6.573 9.635 ( 3.434 -1.071 4.718) 5.933 9.738 ( -0.279 -4.044 -2.687) 4.863 9.930 ( 3.701 8.850 8.347) 12.716 10.173 ( -5.069 1.577 -1.102) 5.422 10.369 ( 0.618 9.281 1.798) 9.473 10.794 ( -1.753 10.297 -3.102) 10.896 11.087 ( -2.677 0.246 -3.858) 4.703 11.325 ( -3.065 -4.518 -5.099) 7.470 11.371 ( 6.785 1.108 -0.643) 6.905 11.604 ( 0.202 -0.502 2.515) 2.573 11.683 ( 3.268 0.119 -3.947) 5.126 11.733 ( 2.188 -0.901 3.371) 4.119 11.811 ( 1.490 1.557 3.720) 4.299 12.385 ( -0.798 0.890 -3.236) 3.450 12.431 ( 0.394 1.267 2.206) 2.575 12.507 ( -0.126 -0.443 4.648) 4.671 13.047 ( 2.298 7.118 0.017) 7.479 13.085 ( 1.262 4.609 -3.693) 6.040 13.197 ( -1.397 -4.095 5.432) 6.945 13.445 ( 0.089 1.141 0.730) 1.358 13.688 ( -2.875 -4.685 -3.727) 6.641 13.747 ( -5.404 -5.197 -0.353) 7.506 14.197 ( 17.605 10.566 8.646) 22.278 14.414 ( 1.632 2.103 -0.294) 2.678 14.645 ( -0.262 -6.230 0.686) 6.273 15.026 ( -1.234 -13.492 -0.471) 13.556 15.281 ( -2.503 -5.549 -5.681) 8.327 15.392 ( -2.041 -7.665 3.420) 8.638 15.761 ( -4.136 6.669 2.494) 8.234 15.959 ( 3.295 6.892 -2.477) 8.030 16.435 ( -1.605 3.131 -1.966) 4.031 16.979 ( -2.582 -1.004 -3.012) 4.092 16.994 ( -13.880 -3.600 -6.045) 15.561 17.111 ( 4.708 -3.406 1.721) 6.060 17.152 ( 3.426 -1.692 -3.734) 5.342 17.429 ( -22.050 -13.640 -9.951) 27.772 19.560 ( -0.834 -3.694 2.309) 4.435 19.848 ( -3.247 -5.486 0.298) 6.382 20.757 ( 0.705 14.275 0.009) 14.292 21.042 ( -0.136 9.355 -0.378) 9.363 21.572 ( 7.778 -11.923 -4.231) 14.851 22.056 ( 0.947 -12.227 0.531) 12.275 23.028 ( -2.691 4.552 -2.245) 5.744 23.301 ( -1.078 4.072 -1.100) 4.353 26.879 ( 0.134 -8.476 -0.338) 8.484 27.756 ( -54.153 -38.650 -41.524) 78.426 28.998 ( 1.577 19.577 3.435) 19.938 29.174 ( 3.165 17.435 3.653) 18.093 30.019 ( 0.592 -10.004 4.847) 11.132 30.233 ( 37.067 15.631 19.586) 44.743 30.407 ( -0.349 -6.022 -0.715) 6.075 30.710 ( 13.575 2.482 8.686) 16.306 31.148 ( 0.238 -4.926 -0.482) 4.955 31.485 ( -1.915 8.971 -4.800) 10.353 31.669 ( 1.265 11.736 -0.280) 11.807 32.024 ( 3.089 -10.062 -4.337) 11.385 32.251 ( 5.427 -6.174 2.508) 8.594 32.477 ( 31.399 22.948 41.376) 56.785 33.136 ( -1.406 3.062 -0.316) 3.384 33.634 ( -0.303 3.681 -1.114) 3.857 34.837 ( 1.669 1.483 -1.902) 2.932 34.893 ( 1.012 -0.582 0.299) 1.205 35.055 ( -3.942 -0.602 1.865) 4.402 35.236 ( -2.729 0.715 -1.727) 3.308 35.266 ( 3.578 0.158 -0.723) 3.654 35.426 ( -1.246 -1.005 0.906) 1.839 36.455 ( -20.082 -18.987 -14.518) 31.218 37.793 ( 0.743 6.558 0.011) 6.600 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 12.998 -20.883 9.213) 26.266 1.275 ( 20.548 -20.182 10.645) 30.706 1.857 ( 5.941 -28.843 -2.242) 29.534 2.002 ( 3.343 -4.037 4.443) 6.872 2.290 ( -2.137 -7.924 2.156) 8.486 2.451 ( 7.951 -1.033 4.185) 9.045 2.688 ( 4.067 -4.580 0.444) 6.141 2.731 ( 0.041 -1.454 0.908) 1.715 3.039 ( 1.630 -1.689 3.866) 4.523 3.122 ( 1.443 -0.550 -1.062) 1.874 3.259 ( 3.876 0.030 -2.789) 4.776 3.289 ( 4.280 0.788 -2.336) 4.940 3.375 ( -0.307 -1.883 4.511) 4.898 3.428 ( -10.286 1.365 -2.995) 10.800 3.755 ( -3.388 5.711 -2.740) 7.183 3.883 ( -6.101 3.271 -1.624) 7.110 4.022 ( 2.061 -0.208 -3.862) 4.383 4.202 ( 7.826 3.090 -1.814) 8.607 4.284 ( -5.431 -0.149 1.731) 5.702 4.411 ( 10.073 2.651 -2.555) 10.725 4.683 ( -13.769 -1.504 -0.255) 13.853 4.839 ( -3.949 -2.344 -1.306) 4.774 5.076 ( 1.085 -11.000 2.192) 11.268 5.176 ( 11.065 0.550 3.283) 11.555 5.234 ( 1.768 3.468 3.522) 5.249 5.423 ( -1.868 -3.467 -1.918) 4.380 5.507 ( -5.792 8.441 -5.292) 11.524 5.659 ( 1.562 0.711 0.037) 1.716 5.911 ( -2.511 7.907 -3.522) 9.013 6.150 ( -9.113 1.158 -9.030) 12.881 7.273 ( 6.201 -0.181 8.498) 10.521 7.522 ( 8.877 -2.196 13.786) 16.543 7.843 ( -6.906 1.684 -2.338) 7.483 8.097 ( -5.059 -3.031 -3.896) 7.068 8.693 ( 6.498 0.442 1.518) 6.688 8.823 ( -3.644 3.431 3.202) 5.942 8.849 ( 3.796 -1.700 1.893) 4.570 8.965 ( 5.200 4.056 0.240) 6.599 9.127 ( 1.000 1.035 -0.266) 1.464 9.345 ( 6.592 1.773 -3.140) 7.514 9.660 ( -1.566 2.542 3.828) 4.855 9.802 ( 1.101 -1.708 -0.074) 2.033 9.885 ( -1.121 -2.294 0.340) 2.576 10.066 ( -2.999 5.285 -3.571) 7.048 10.216 ( -0.324 6.704 1.626) 6.905 10.605 ( 0.523 7.902 -1.867) 8.136 11.033 ( -2.804 1.198 -2.699) 4.073 11.288 ( -2.302 0.090 -3.936) 4.561 11.406 ( 2.778 0.466 0.006) 2.817 11.623 ( 1.267 -0.993 -2.984) 3.391 11.721 ( 3.724 0.549 3.614) 5.218 11.748 ( 1.234 -1.436 -0.534) 1.967 11.922 ( 1.402 -7.909 4.984) 9.453 12.320 ( -2.257 2.910 -3.630) 5.171 12.430 ( 2.168 1.768 4.310) 5.139 12.483 ( -2.765 3.985 1.010) 4.954 12.915 ( 1.938 8.785 -2.478) 9.331 12.954 ( -0.113 6.302 -5.515) 8.375 13.310 ( -1.204 -6.504 3.698) 7.578 13.486 ( 1.760 -3.695 1.755) 4.453 13.707 ( -2.527 -1.845 -3.543) 4.727 13.802 ( -5.180 -6.699 -1.723) 8.641 14.197 ( 13.115 9.231 8.681) 18.237 14.443 ( 2.954 -3.147 1.729) 4.650 14.784 ( 1.690 -7.640 0.645) 7.851 15.213 ( -5.936 -10.485 -4.453) 12.846 15.312 ( -5.740 -3.230 -4.200) 7.811 15.548 ( -1.192 -5.198 -0.166) 5.336 15.655 ( 1.013 3.008 2.839) 4.258 15.864 ( 4.044 2.211 3.720) 5.923 16.333 ( -1.358 4.704 -3.105) 5.798 16.883 ( -11.374 -0.039 -7.386) 13.562 16.983 ( -2.226 -2.785 -3.302) 4.859 17.175 ( 2.658 -0.557 -3.218) 4.210 17.238 ( 6.095 -3.520 3.054) 7.672 17.436 ( -10.591 -4.173 0.288) 11.387 19.661 ( -0.534 -6.111 4.087) 7.371 19.951 ( -5.044 -9.257 0.621) 10.560 20.501 ( 1.356 15.085 -0.284) 15.148 20.812 ( 0.228 14.726 -0.844) 14.752 21.865 ( 5.277 -16.030 -2.252) 17.026 22.318 ( 0.912 -15.087 0.649) 15.129 22.877 ( -3.300 7.703 -3.053) 8.919 23.185 ( 0.093 7.792 -0.386) 7.802 27.096 ( 0.383 -15.646 0.306) 15.653 27.815 ( -24.473 -20.945 -19.358) 37.581 28.666 ( 2.945 20.991 2.834) 21.385 28.832 ( 1.715 24.122 4.087) 24.526 30.228 ( 1.141 -8.736 3.092) 9.337 30.323 ( 7.378 0.407 1.547) 7.550 30.548 ( -0.991 -11.397 -2.441) 11.697 30.859 ( 9.953 -3.448 6.455) 12.354 31.239 ( -4.193 -4.158 -0.517) 5.928 31.328 ( 3.754 4.593 -2.019) 6.266 31.451 ( 1.855 13.135 0.765) 13.287 32.143 ( 11.842 4.120 -0.031) 12.538 32.393 ( 5.172 -3.547 12.063) 13.596 32.624 ( 4.383 -6.907 8.720) 11.957 33.047 ( -2.447 4.644 -0.689) 5.294 33.521 ( -0.353 7.441 -2.604) 7.892 34.812 ( 0.199 1.331 -0.293) 1.377 34.908 ( 1.203 0.447 1.007) 1.631 35.048 ( -3.414 -1.183 0.654) 3.672 35.189 ( -3.862 0.190 -1.691) 4.220 35.285 ( 4.307 0.515 -1.645) 4.640 35.446 ( -1.594 -1.648 1.583) 2.786 36.597 ( -11.258 -17.544 -8.245) 22.417 37.630 ( 4.994 14.962 2.663) 15.997 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 8.565 -19.924 7.388) 22.911 1.778 ( 17.588 -12.157 10.645) 23.884 2.044 ( -5.666 -3.245 -1.107) 6.623 2.128 ( 2.325 -2.176 -5.391) 6.261 2.354 ( -3.733 -1.448 2.468) 4.704 2.525 ( -6.627 -4.345 4.477) 9.102 2.804 ( 4.348 -1.916 0.237) 4.757 2.928 ( 4.505 -10.781 -1.431) 11.772 3.062 ( 3.788 5.561 4.475) 8.081 3.116 ( 1.676 0.160 1.487) 2.246 3.308 ( 3.259 -3.149 -0.409) 4.550 3.336 ( 7.019 -2.074 -2.034) 7.597 3.344 ( -1.901 0.484 -1.718) 2.608 3.463 ( 0.014 -4.696 -1.118) 4.827 3.588 ( -5.021 5.765 -3.231) 8.299 3.823 ( -2.549 0.430 1.411) 2.945 3.975 ( 1.485 3.581 -2.485) 4.604 4.230 ( -0.127 -0.606 -1.378) 1.510 4.260 ( 2.831 -2.140 -1.757) 3.960 4.459 ( 6.405 -0.397 3.836) 7.476 4.610 ( -3.940 -1.575 -4.503) 6.187 4.836 ( -7.166 -1.388 -0.449) 7.313 5.077 ( 2.518 8.197 0.586) 8.595 5.217 ( -4.369 0.444 -4.592) 6.354 5.325 ( 2.806 0.069 2.583) 3.815 5.378 ( 7.937 -1.927 6.371) 10.359 5.466 ( -1.150 -2.340 3.348) 4.243 5.675 ( 0.238 -0.035 -0.182) 0.302 5.728 ( -2.720 5.474 -4.979) 7.884 5.984 ( -11.717 2.503 -9.501) 15.292 7.404 ( 9.075 -1.474 9.499) 13.220 7.678 ( 5.309 0.060 5.101) 7.363 7.758 ( -3.111 0.100 3.333) 4.560 8.027 ( -10.174 0.314 -9.005) 13.590 8.718 ( -1.709 -0.969 0.486) 2.024 8.760 ( 1.184 4.032 3.733) 5.621 8.895 ( 2.513 0.645 0.245) 2.606 8.958 ( 1.027 0.015 2.271) 2.492 9.104 ( 1.757 0.760 -1.503) 2.434 9.301 ( 4.518 7.237 -0.168) 8.533 9.634 ( -2.196 -1.293 0.320) 2.568 9.795 ( -2.378 6.296 2.901) 7.329 9.883 ( 0.115 -3.934 -3.543) 5.296 10.026 ( 4.926 2.170 -0.638) 5.421 10.158 ( -2.472 -1.782 -1.941) 3.613 10.515 ( 2.230 3.074 -0.333) 3.812 10.984 ( -1.854 1.050 -0.695) 2.241 11.277 ( -0.861 -1.979 -0.812) 2.306 11.400 ( 2.057 2.698 0.134) 3.395 11.652 ( 0.519 -3.813 -3.869) 5.457 11.733 ( 3.364 2.989 7.774) 8.983 11.809 ( 0.466 -3.121 -2.318) 3.915 12.079 ( -1.705 -5.077 0.876) 5.427 12.243 ( -1.024 -1.035 -4.513) 4.742 12.374 ( -3.386 4.242 0.478) 5.449 12.450 ( 2.504 1.767 5.399) 6.208 12.755 ( -0.194 6.645 -4.128) 7.826 12.826 ( 2.217 6.286 -2.753) 7.211 13.422 ( -2.297 -4.973 2.831) 6.167 13.553 ( -3.716 -2.793 -1.376) 4.848 13.729 ( 6.047 -1.053 -1.502) 6.319 13.891 ( -4.007 -9.467 -2.849) 10.668 14.153 ( 8.353 10.236 8.297) 15.601 14.547 ( -0.321 -3.854 3.553) 5.252 14.914 ( 0.616 -5.065 -0.666) 5.146 15.203 ( -4.147 -1.005 -5.164) 6.699 15.348 ( -2.558 -3.845 -2.700) 5.350 15.428 ( 0.102 9.351 -1.699) 9.505 15.760 ( -1.839 -8.979 0.434) 9.176 15.986 ( 4.361 -1.006 7.435) 8.678 16.274 ( 3.248 -1.669 -0.076) 3.652 16.728 ( -9.877 3.624 -7.659) 13.013 17.009 ( -1.166 -2.908 -1.929) 3.679 17.177 ( 1.514 0.467 -1.909) 2.481 17.342 ( 4.989 -1.657 1.839) 5.570 17.423 ( -6.503 -1.257 1.630) 6.821 19.811 ( -1.402 -9.110 3.512) 9.863 20.102 ( -4.952 -11.604 0.958) 12.653 20.247 ( 1.924 14.361 -1.155) 14.535 20.545 ( 1.410 14.879 -1.108) 14.986 22.168 ( 3.616 -14.919 -0.853) 15.374 22.579 ( -1.798 -11.379 0.724) 11.543 22.692 ( -0.749 6.984 -2.643) 7.504 23.029 ( 0.827 10.054 0.088) 10.088 27.432 ( 0.696 -20.783 1.377) 20.841 27.908 ( -13.157 -15.013 -11.028) 22.806 28.323 ( 1.059 22.009 1.040) 22.059 28.453 ( 3.212 20.335 4.039) 20.980 30.353 ( 0.755 -2.657 2.131) 3.489 30.357 ( 0.420 -1.583 -1.475) 2.204 30.760 ( -0.170 -13.792 -2.709) 14.056 31.013 ( 5.603 -2.584 3.793) 7.243 31.178 ( -2.542 3.409 0.272) 4.261 31.258 ( 2.055 9.961 0.691) 10.194 31.380 ( 0.707 -4.251 -2.465) 4.964 32.107 ( 9.664 8.419 3.959) 13.415 32.580 ( 1.673 -6.616 8.011) 10.523 32.833 ( 0.733 -10.387 0.070) 10.413 32.943 ( -2.558 3.705 0.528) 4.533 33.343 ( 0.008 10.152 -3.399) 10.706 34.792 ( -0.131 0.753 0.040) 0.765 34.902 ( 0.353 1.156 0.563) 1.333 35.054 ( -1.493 -1.170 0.350) 1.929 35.160 ( -2.567 -0.380 -0.707) 2.689 35.294 ( 2.626 0.410 -1.430) 3.018 35.471 ( -0.948 -1.213 1.205) 1.955 36.807 ( -8.966 -19.107 -5.994) 21.941 37.381 ( 6.710 19.483 3.716) 20.938 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 -0.000 0.000) 0.000 1.922 ( -0.000 0.000 -0.000) 0.000 2.033 ( 0.000 -0.000 0.000) 0.000 2.076 ( -0.000 0.000 -0.000) 0.000 2.346 ( 0.000 -0.000 0.000) 0.000 2.587 ( 0.000 -0.000 -0.000) 0.000 2.805 ( 0.000 -0.000 0.000) 0.000 3.010 ( -0.000 -0.000 -0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.134 ( -0.000 -0.000 0.000) 0.000 3.322 ( 0.000 -0.000 -0.000) 0.000 3.385 ( 0.000 -0.000 0.000) 0.000 3.412 ( -0.000 -0.000 -0.000) 0.000 3.471 ( -0.000 -0.000 0.000) 0.000 3.487 ( 0.000 -0.000 0.000) 0.000 3.818 ( 0.000 -0.000 -0.000) 0.000 3.935 ( 0.000 -0.000 0.000) 0.000 4.229 ( -0.000 -0.000 0.000) 0.000 4.310 ( 0.000 -0.000 0.000) 0.000 4.559 ( 0.000 -0.000 0.000) 0.000 4.575 ( -0.000 0.000 -0.000) 0.000 4.794 ( 0.000 -0.000 -0.000) 0.000 5.005 ( -0.000 -0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 -0.000 0.000) 0.000 5.427 ( -0.000 -0.000 0.000) 0.000 5.483 ( 0.000 -0.000 0.000) 0.000 5.627 ( 0.000 -0.000 -0.000) 0.000 5.730 ( 0.000 -0.000 0.000) 0.000 5.839 ( -0.000 -0.000 -0.000) 0.000 7.508 ( 0.000 -0.000 0.000) 0.000 7.649 ( 0.000 -0.000 -0.000) 0.000 7.869 ( -0.000 -0.000 -0.000) 0.000 7.872 ( 0.000 -0.000 0.000) 0.000 8.717 ( -0.000 -0.000 -0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.897 ( -0.000 -0.000 -0.000) 0.000 8.960 ( 0.000 -0.000 -0.000) 0.000 9.120 ( 0.000 -0.000 0.000) 0.000 9.232 ( 0.000 -0.000 0.000) 0.000 9.651 ( 0.000 -0.000 0.000) 0.000 9.712 ( 0.000 -0.000 0.000) 0.000 9.957 ( 0.000 -0.000 0.000) 0.000 9.970 ( 0.000 -0.000 0.000) 0.000 10.179 ( -0.000 -0.000 0.000) 0.000 10.500 ( 0.000 -0.000 0.000) 0.000 10.965 ( 0.000 -0.000 0.000) 0.000 11.317 ( 0.000 -0.000 0.000) 0.000 11.357 ( 0.000 -0.000 -0.000) 0.000 11.686 ( 0.000 -0.000 -0.000) 0.000 11.751 ( 0.000 -0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 12.085 ( -0.000 -0.000 0.000) 0.000 12.273 ( 0.000 -0.000 0.000) 0.000 12.329 ( 0.000 -0.000 -0.000) 0.000 12.455 ( 0.000 -0.000 0.000) 0.000 12.676 ( 0.000 -0.000 0.000) 0.000 12.762 ( 0.000 -0.000 -0.000) 0.000 13.471 ( -0.000 -0.000 -0.000) 0.000 13.545 ( 0.000 -0.000 0.000) 0.000 13.760 ( 0.000 -0.000 0.000) 0.000 14.039 ( -0.000 -0.000 -0.000) 0.000 14.047 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 -0.000 0.000) 0.000 14.960 ( 0.000 -0.000 -0.000) 0.000 15.230 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 -0.000 0.000) 0.000 15.396 ( 0.000 -0.000 0.000) 0.000 15.860 ( 0.000 -0.000 0.000) 0.000 15.985 ( -0.000 -0.000 0.000) 0.000 16.394 ( 0.000 -0.000 0.000) 0.000 16.575 ( -0.000 0.000 -0.000) 0.000 17.030 ( 0.000 -0.000 -0.000) 0.000 17.170 ( 0.000 -0.000 0.000) 0.000 17.390 ( 0.000 -0.000 0.000) 0.000 17.404 ( -0.000 -0.000 0.000) 0.000 19.975 ( 0.000 0.000 -0.000) 0.000 20.042 ( -0.000 -0.000 0.000) 0.000 20.278 ( -0.000 -0.000 0.000) 0.000 20.326 ( 0.000 0.000 0.000) 0.000 22.401 ( 0.000 -0.000 0.000) 0.000 22.477 ( 0.000 -0.000 0.000) 0.000 22.817 ( 0.000 -0.000 -0.000) 0.000 22.858 ( 0.000 -0.000 0.000) 0.000 27.769 ( 0.000 0.000 0.000) 0.000 27.941 ( 0.000 -0.000 0.000) 0.000 28.025 ( 0.000 -0.000 0.000) 0.000 28.279 ( 0.000 -0.000 0.000) 0.000 30.364 ( 0.000 -0.000 0.000) 0.000 30.386 ( 0.000 -0.000 0.000) 0.000 30.942 ( -0.000 -0.000 0.000) 0.000 31.012 ( 0.000 -0.000 0.000) 0.000 31.140 ( 0.000 -0.000 0.000) 0.000 31.177 ( 0.000 -0.000 -0.000) 0.000 31.414 ( 0.000 -0.000 0.000) 0.000 32.076 ( 0.000 -0.000 0.000) 0.000 32.689 ( 0.000 -0.000 -0.000) 0.000 32.852 ( 0.000 -0.000 0.000) 0.000 33.013 ( 0.000 -0.000 0.000) 0.000 33.187 ( 0.000 -0.000 0.000) 0.000 34.785 ( 0.000 -0.000 0.000) 0.000 34.893 ( 0.000 -0.000 0.000) 0.000 35.062 ( 0.000 -0.000 0.000) 0.000 35.152 ( 0.000 -0.000 -0.000) 0.000 35.296 ( 0.000 -0.000 0.000) 0.000 35.482 ( 0.000 -0.000 -0.000) 0.000 37.017 ( 0.000 -0.000 0.000) 0.000 37.151 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 28.357 0.000 8.459) 29.592 0.576 ( 26.139 0.000 15.418) 30.348 1.058 ( 49.015 0.000 22.712) 54.021 1.934 ( 12.490 0.000 9.708) 15.820 2.025 ( 4.766 0.000 -4.355) 6.456 2.479 ( 3.851 0.000 1.095) 4.003 2.717 ( -2.446 -0.000 -4.632) 5.238 2.722 ( -2.809 -0.000 -3.679) 4.629 3.028 ( 4.482 0.000 6.009) 7.497 3.058 ( -3.327 -0.000 -2.139) 3.956 3.173 ( 4.441 0.000 -1.381) 4.650 3.282 ( 4.434 0.000 -0.146) 4.436 3.365 ( -1.097 -0.000 4.405) 4.540 3.381 ( -6.858 -0.000 16.487) 17.857 3.842 ( -0.111 -0.000 -0.773) 0.780 3.920 ( -1.848 -0.000 -5.269) 5.584 4.018 ( -3.173 -0.000 -6.445) 7.184 4.252 ( -5.227 -0.000 -0.152) 5.229 4.347 ( 9.839 0.000 -7.117) 12.143 4.373 ( -0.438 -0.000 -6.994) 7.008 4.622 ( 4.315 0.000 2.054) 4.779 4.690 ( -12.271 -0.000 1.558) 12.369 4.957 ( 5.001 0.000 0.794) 5.063 5.162 ( 4.078 0.000 -5.516) 6.860 5.277 ( 0.796 0.000 0.642) 1.022 5.488 ( 3.923 0.000 1.835) 4.331 5.586 ( 1.667 0.000 -2.393) 2.917 5.719 ( -7.891 -0.000 -6.042) 9.939 6.030 ( -4.213 -0.000 -4.168) 5.927 6.261 ( -3.655 -0.000 -3.187) 4.849 7.366 ( 4.318 0.000 14.833) 15.449 7.414 ( -5.209 -0.000 14.891) 15.776 7.895 ( -0.715 -0.000 -2.513) 2.613 8.022 ( 0.550 0.000 -0.631) 0.837 8.769 ( 5.886 0.000 -0.425) 5.901 8.812 ( 7.618 0.000 -1.006) 7.684 8.903 ( -1.644 -0.000 4.960) 5.225 9.084 ( 9.499 0.000 -0.207) 9.501 9.121 ( 0.598 0.000 1.818) 1.914 9.335 ( 0.622 0.000 -10.341) 10.359 9.659 ( 1.031 0.000 -2.648) 2.842 9.700 ( 6.624 0.000 3.407) 7.449 10.111 ( -18.830 -0.000 -0.660) 18.842 10.136 ( -7.541 -0.000 -0.762) 7.579 10.478 ( 1.088 0.000 2.998) 3.190 10.899 ( -2.761 -0.000 -1.574) 3.178 10.970 ( -4.866 -0.000 -9.085) 10.306 11.298 ( 6.412 0.000 0.568) 6.437 11.478 ( 0.739 0.000 -10.987) 11.012 11.612 ( -0.911 -0.000 4.593) 4.682 11.724 ( 11.096 0.000 -13.128) 17.189 11.744 ( 0.518 0.000 5.550) 5.574 11.939 ( 8.755 0.000 7.983) 11.848 12.396 ( 1.186 0.000 -1.408) 1.841 12.480 ( 3.390 0.000 5.794) 6.713 12.500 ( -4.906 -0.000 5.369) 7.273 13.070 ( -2.908 -0.000 -3.329) 4.421 13.140 ( 3.180 0.000 -4.826) 5.779 13.333 ( -9.682 -0.000 8.800) 13.084 13.411 ( -2.347 -0.000 -3.328) 4.072 13.588 ( 1.142 0.000 -0.254) 1.170 13.624 ( -2.216 -0.000 -3.217) 3.906 14.451 ( 0.695 0.000 -0.746) 1.019 14.514 ( -0.865 -0.000 1.975) 2.157 14.777 ( -6.637 -0.000 -1.888) 6.900 14.862 ( 1.873 0.000 -1.648) 2.495 15.046 ( 6.307 0.000 2.368) 6.737 15.225 ( -0.896 -0.000 -3.670) 3.778 15.827 ( -15.012 -0.000 -3.463) 15.407 16.083 ( -0.170 -0.000 7.406) 7.408 16.344 ( 5.417 0.000 0.030) 5.417 16.433 ( -0.800 -0.000 -5.266) 5.326 16.949 ( -1.301 -0.000 -1.055) 1.675 17.080 ( -1.438 -0.000 -0.777) 1.635 17.147 ( 7.598 0.000 3.959) 8.567 17.174 ( -0.883 -0.000 -3.497) 3.607 19.541 ( 1.452 0.000 6.237) 6.403 19.779 ( -4.828 -0.000 1.322) 5.006 20.944 ( 1.525 0.000 0.178) 1.535 21.093 ( 0.226 0.000 -1.532) 1.549 21.490 ( 7.261 0.000 -10.235) 12.549 21.940 ( 1.241 0.000 0.898) 1.532 23.085 ( 0.190 0.000 -0.736) 0.760 23.313 ( 0.283 0.000 -0.298) 0.411 26.802 ( 0.298 0.000 -0.539) 0.616 26.808 ( 0.349 0.000 -0.569) 0.667 29.240 ( 1.732 0.000 2.384) 2.947 29.312 ( 1.473 0.000 0.597) 1.589 29.859 ( -3.219 -0.000 -1.754) 3.666 30.338 ( -0.979 -0.000 -1.454) 1.753 30.482 ( -2.780 -0.000 -2.775) 3.929 31.071 ( -2.827 -0.000 -0.881) 2.961 31.087 ( -1.702 -0.000 -1.592) 2.330 31.550 ( 8.635 0.000 -6.925) 11.068 31.775 ( 5.356 0.000 1.946) 5.699 31.954 ( -0.228 -0.000 -0.242) 0.333 32.118 ( 1.416 0.000 0.950) 1.705 33.134 ( -3.041 -0.000 -0.802) 3.145 33.653 ( -1.011 -0.000 -1.498) 1.807 34.227 ( -22.626 -0.000 33.096) 40.091 34.885 ( 38.950 0.000 -57.738) 69.647 34.894 ( 0.882 0.000 1.356) 1.617 35.079 ( -25.507 -0.000 32.911) 41.638 35.194 ( -5.342 -0.000 -3.647) 6.469 35.295 ( 1.622 0.000 2.655) 3.111 35.347 ( -1.740 -0.000 -1.201) 2.114 35.416 ( 0.285 0.000 -0.358) 0.458 37.871 ( 7.905 0.000 5.537) 9.651 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 20.103 -11.851 7.684) 24.569 1.091 ( 17.358 -20.122 11.001) 28.762 1.667 ( 36.892 -14.134 14.438) 42.062 2.022 ( 6.665 0.169 -1.182) 6.771 2.165 ( 4.575 -7.768 3.503) 9.671 2.534 ( 6.447 -0.075 0.700) 6.485 2.623 ( -3.199 -1.205 -3.344) 4.783 2.721 ( -3.748 0.762 0.009) 3.825 3.031 ( -1.036 -4.271 -1.780) 4.742 3.125 ( 6.937 -0.532 8.761) 11.187 3.245 ( 1.218 -2.815 -8.485) 9.022 3.308 ( 2.535 1.314 2.164) 3.583 3.366 ( -2.356 0.544 7.146) 7.544 3.420 ( -2.141 1.286 11.328) 11.600 3.785 ( -2.234 2.709 -6.332) 7.240 3.873 ( -3.789 1.360 -5.514) 6.827 3.982 ( -3.573 -1.468 1.013) 3.993 4.227 ( -2.186 -0.782 -3.477) 4.181 4.278 ( -1.297 1.021 -4.662) 4.945 4.444 ( -4.590 -4.936 -4.401) 8.050 4.593 ( -0.586 2.980 -1.194) 3.263 4.720 ( 0.981 -4.979 1.624) 5.328 5.007 ( 5.405 -0.941 0.437) 5.504 5.203 ( 8.957 -3.660 0.336) 9.681 5.315 ( 1.166 -2.498 1.230) 3.019 5.427 ( -0.076 7.489 -1.435) 7.626 5.550 ( -3.493 3.540 -3.510) 6.087 5.661 ( -0.119 -1.328 -2.077) 2.469 5.942 ( -5.153 2.918 -5.609) 8.157 6.150 ( -4.278 6.417 -3.811) 8.603 7.394 ( 5.065 2.776 11.236) 12.633 7.583 ( 3.437 -5.461 14.833) 16.176 7.842 ( -2.024 3.331 -2.728) 4.758 8.027 ( -1.829 -0.447 -1.896) 2.672 8.782 ( 5.437 3.132 0.225) 6.279 8.853 ( 3.700 0.217 0.801) 3.792 8.904 ( 0.525 2.738 5.101) 5.813 9.095 ( 4.831 4.308 2.349) 6.886 9.161 ( 4.279 0.669 0.467) 4.356 9.327 ( 5.173 -4.026 -6.532) 9.254 9.709 ( 3.059 -4.088 -1.748) 5.397 9.789 ( 4.943 -3.589 0.435) 6.123 9.861 ( -14.728 8.637 0.207) 17.075 10.058 ( -8.190 1.292 -0.386) 8.300 10.408 ( 1.243 9.867 2.014) 10.147 10.762 ( 0.513 9.843 -0.616) 9.876 10.934 ( -4.430 -3.767 -6.896) 9.021 11.317 ( 1.753 4.006 -1.838) 4.743 11.403 ( 0.865 -1.388 -2.400) 2.904 11.613 ( -0.703 1.028 1.643) 2.062 11.706 ( 8.068 0.722 -10.415) 13.194 11.845 ( 1.110 -5.187 6.613) 8.478 11.944 ( 8.514 8.432 9.649) 15.384 12.351 ( -0.885 3.392 -2.641) 4.389 12.488 ( -0.895 0.489 3.505) 3.651 12.532 ( 0.825 2.263 3.429) 4.191 12.987 ( -2.202 3.774 -6.581) 7.899 13.062 ( 1.846 8.079 -6.398) 10.470 13.248 ( -2.070 -1.950 8.004) 8.494 13.445 ( -2.338 -3.728 0.219) 4.406 13.609 ( 0.461 -4.861 -4.316) 6.517 13.669 ( -4.113 -2.876 -1.060) 5.130 14.417 ( -0.305 3.183 1.758) 3.649 14.557 ( 13.674 6.216 2.880) 15.294 14.638 ( -3.124 -6.409 2.016) 7.409 14.958 ( -5.056 -10.679 -3.274) 12.261 15.164 ( -3.664 -4.547 -3.177) 6.648 15.361 ( -3.703 -11.635 -5.477) 13.382 15.702 ( -6.803 0.272 5.776) 8.928 16.009 ( 5.253 7.972 1.082) 9.608 16.361 ( -2.672 2.648 -4.217) 5.651 16.613 ( -11.595 -13.247 -9.109) 19.822 16.940 ( -0.907 -0.438 0.375) 1.075 17.140 ( 2.060 -3.230 -5.458) 6.668 17.191 ( -5.823 -8.668 0.016) 10.442 17.258 ( 5.161 -3.259 4.441) 7.548 19.618 ( 0.937 -2.527 7.228) 7.714 19.784 ( -6.206 -4.790 1.601) 8.001 20.776 ( 1.705 14.429 -0.095) 14.530 21.031 ( -0.272 9.267 -0.899) 9.314 21.619 ( 5.516 -13.322 -5.622) 15.476 22.081 ( 1.272 -12.093 0.768) 12.184 22.987 ( -0.059 8.134 -0.984) 8.194 23.286 ( 0.306 3.629 -0.451) 3.670 26.878 ( 0.493 -8.936 -0.475) 8.963 27.106 ( -10.943 -26.616 -8.603) 30.036 29.058 ( 2.080 18.697 2.447) 18.971 29.208 ( 0.864 13.809 1.278) 13.895 30.001 ( -1.493 -15.077 -1.593) 15.234 30.364 ( -1.847 -4.847 -2.169) 5.622 30.409 ( -1.755 2.721 -3.010) 4.421 30.971 ( 3.244 3.952 3.995) 6.488 31.115 ( -2.591 -4.075 -2.370) 5.380 31.478 ( 4.857 8.303 -1.772) 9.781 31.706 ( 3.061 12.023 0.289) 12.410 32.067 ( 4.204 -10.810 0.453) 11.608 32.285 ( 1.800 -12.100 -0.066) 12.233 33.078 ( -3.920 2.476 -0.867) 4.717 33.392 ( 18.796 52.849 27.301) 62.383 33.607 ( 0.237 5.160 -2.412) 5.701 34.830 ( 1.382 1.360 -4.295) 4.713 34.922 ( 1.110 -0.760 1.576) 2.072 35.022 ( -3.280 0.480 3.399) 4.748 35.135 ( -5.566 -0.713 -2.863) 6.300 35.308 ( 3.760 0.283 -4.277) 5.702 35.426 ( -1.553 -0.952 4.389) 4.752 35.970 ( -16.427 -35.378 -13.276) 41.203 37.909 ( 8.804 7.875 5.812) 13.164 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 11.217 -16.429 7.197) 21.155 1.583 ( 4.583 -19.412 7.420) 21.281 2.026 ( 5.705 0.138 -0.737) 5.754 2.124 ( 18.667 -3.444 0.691) 18.995 2.292 ( -3.937 -3.429 6.153) 8.070 2.564 ( 1.745 4.703 0.853) 5.088 2.707 ( 0.336 -9.998 -0.243) 10.007 2.781 ( 3.122 -9.201 1.137) 9.782 3.131 ( 4.361 -3.059 2.585) 5.921 3.228 ( 3.908 2.356 -1.538) 4.815 3.251 ( 5.386 -4.161 1.814) 7.043 3.291 ( 1.452 0.674 0.013) 1.601 3.398 ( -0.339 -0.121 7.105) 7.114 3.433 ( 2.401 0.853 1.182) 2.809 3.646 ( -2.365 5.655 -7.367) 9.584 3.814 ( -2.732 0.061 0.358) 2.756 3.976 ( -5.057 -0.008 -0.384) 5.071 4.201 ( -1.404 -0.715 -5.348) 5.575 4.221 ( -2.670 0.061 -1.590) 3.108 4.453 ( -10.514 -6.783 -3.752) 13.063 4.580 ( 10.754 3.098 -0.094) 11.192 4.762 ( -3.762 -0.140 1.226) 3.959 5.092 ( 0.805 -4.356 -3.111) 5.413 5.259 ( 1.180 8.748 -2.467) 9.166 5.385 ( -1.497 -2.957 0.840) 3.419 5.404 ( 5.748 -0.854 0.233) 5.816 5.443 ( 6.524 -2.226 7.473) 10.167 5.681 ( 0.670 0.201 0.064) 0.702 5.800 ( -2.897 4.605 -7.415) 9.197 5.948 ( -6.631 8.455 -3.660) 11.351 7.500 ( 8.653 -1.495 9.259) 12.761 7.718 ( -4.620 5.627 -2.560) 7.718 7.780 ( 4.391 -4.505 12.394) 13.899 7.954 ( -6.775 3.254 -5.010) 9.032 8.733 ( -0.282 3.957 -0.280) 3.977 8.864 ( -0.646 0.920 2.927) 3.135 8.885 ( 0.615 1.823 2.111) 2.856 9.062 ( 4.998 5.081 3.526) 7.952 9.142 ( 2.537 2.589 -2.335) 4.311 9.419 ( 3.925 0.163 -4.904) 6.284 9.654 ( -5.604 3.982 5.122) 8.573 9.800 ( 3.966 -3.665 -3.410) 6.387 9.885 ( 3.612 -1.161 1.527) 4.090 9.977 ( -5.559 -1.243 -4.497) 7.257 10.226 ( 0.608 10.699 0.800) 10.746 10.621 ( 2.943 6.661 0.436) 7.295 10.947 ( -2.320 -2.848 -1.876) 4.125 11.247 ( -2.476 0.843 -1.609) 3.070 11.449 ( 1.759 -0.071 3.871) 4.252 11.583 ( 1.152 0.092 -6.059) 6.168 11.736 ( 3.616 -3.238 -5.432) 7.285 11.936 ( 9.021 5.843 10.115) 14.759 11.982 ( -0.258 -5.784 4.485) 7.324 12.242 ( -1.750 4.811 -4.277) 6.671 12.426 ( -4.743 4.441 0.117) 6.499 12.530 ( 2.786 1.253 4.931) 5.801 12.829 ( -1.820 6.516 -9.433) 11.608 12.919 ( -0.173 5.621 -3.268) 6.505 13.348 ( -2.852 -3.745 6.667) 8.162 13.492 ( 0.696 -3.023 -1.548) 3.467 13.678 ( -5.087 -6.415 -1.399) 8.306 13.721 ( 4.702 -5.015 -2.778) 7.415 14.372 ( -1.926 2.265 3.624) 4.688 14.560 ( 6.006 5.830 5.831) 10.201 14.790 ( 1.318 -9.181 -2.744) 9.673 15.080 ( -4.662 -6.009 -4.013) 8.600 15.206 ( -2.476 -7.748 -2.577) 8.533 15.427 ( -6.702 -6.180 -8.818) 12.684 15.723 ( 1.818 3.000 7.425) 8.211 16.021 ( 5.882 -3.311 7.893) 10.386 16.267 ( -0.845 1.850 -4.729) 5.148 16.595 ( -11.556 -3.022 -9.666) 15.366 16.960 ( -0.216 -1.594 1.433) 2.154 17.155 ( 1.252 -1.805 -5.567) 5.985 17.308 ( -5.407 -6.919 0.958) 8.833 17.361 ( 3.423 -1.801 3.444) 5.178 19.714 ( -0.237 -3.948 6.001) 7.187 19.874 ( -6.134 -9.530 1.401) 11.419 20.522 ( 1.818 15.285 -0.473) 15.400 20.804 ( 0.387 14.108 -1.305) 14.173 21.908 ( 3.872 -16.549 -2.694) 17.208 22.335 ( 0.394 -14.272 0.613) 14.290 22.823 ( -0.339 9.050 -1.437) 9.170 23.191 ( 0.999 7.279 -0.074) 7.348 27.112 ( 0.855 -16.451 0.877) 16.497 27.396 ( -11.564 -21.876 -8.695) 26.228 28.719 ( 0.083 21.269 0.951) 21.290 28.909 ( 4.439 21.613 3.910) 22.408 30.236 ( 0.371 -10.322 -0.980) 10.375 30.344 ( -1.508 0.623 -2.389) 2.893 30.486 ( -2.426 -12.832 -3.747) 13.587 31.019 ( 2.411 -2.522 4.351) 5.577 31.146 ( -4.538 -3.461 -2.612) 6.277 31.369 ( 3.064 5.883 -1.415) 6.782 31.505 ( 3.887 13.075 0.592) 13.654 32.270 ( 6.988 -5.625 -1.172) 9.046 32.523 ( 2.581 -11.773 2.179) 12.248 32.957 ( 6.624 21.327 13.994) 26.355 32.992 ( 0.518 8.151 4.306) 9.233 33.478 ( -0.263 7.518 -3.866) 8.458 34.798 ( -1.221 0.680 -0.965) 1.698 34.923 ( -1.408 1.269 -0.028) 1.896 35.029 ( -0.419 -1.427 1.952) 2.454 35.121 ( -1.721 -1.656 -0.346) 2.413 35.298 ( 1.367 0.166 -4.200) 4.420 35.462 ( -0.079 -0.956 3.657) 3.781 36.298 ( -12.503 -24.409 -9.698) 29.089 37.788 ( 8.510 16.313 5.324) 19.154 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.991 -15.308 5.751) 16.624 1.902 ( -3.770 -10.616 2.702) 11.585 2.043 ( -1.370 -1.580 -3.742) 4.287 2.184 ( 12.018 7.984 -3.516) 14.850 2.352 ( 1.114 0.943 1.966) 2.449 2.461 ( -8.743 -1.313 7.777) 11.774 2.823 ( 0.078 -2.897 -3.223) 4.334 2.959 ( 4.087 -3.301 -2.089) 5.653 3.163 ( 0.425 2.255 3.875) 4.503 3.208 ( 4.754 3.316 4.306) 7.221 3.312 ( 2.530 -1.694 -2.001) 3.644 3.383 ( -2.082 -0.251 5.275) 5.677 3.449 ( 5.168 -2.213 -0.325) 5.632 3.461 ( 2.813 1.026 0.400) 3.021 3.519 ( 6.824 2.077 -3.158) 7.801 3.817 ( 0.652 -0.681 -0.766) 1.215 3.903 ( -5.418 1.227 -2.189) 5.971 4.189 ( -2.419 -2.306 -3.737) 5.013 4.262 ( -2.005 -5.129 -0.286) 5.514 4.471 ( -5.879 -4.022 -3.914) 8.128 4.648 ( 9.932 -0.440 4.955) 11.108 4.720 ( -7.671 -0.845 0.911) 7.771 5.071 ( -0.663 4.002 -2.996) 5.044 5.113 ( -1.864 2.527 -4.914) 5.831 5.395 ( 1.644 1.919 -2.963) 3.895 5.432 ( 0.763 -1.630 2.649) 3.203 5.579 ( -3.186 7.971 -3.047) 9.109 5.653 ( 4.612 0.580 7.372) 8.715 5.742 ( 1.258 0.765 -2.029) 2.507 5.821 ( 4.529 -4.980 2.784) 7.285 7.516 ( -5.130 6.139 -4.575) 9.216 7.675 ( 3.897 -2.818 5.025) 6.955 7.770 ( -10.244 4.697 -7.044) 13.290 7.964 ( 8.033 -3.704 11.767) 14.722 8.674 ( -2.157 0.688 -0.641) 2.353 8.844 ( -0.803 2.550 2.755) 3.839 8.866 ( -1.442 0.856 0.863) 1.886 9.018 ( 4.768 4.672 -0.896) 6.735 9.130 ( 1.227 0.619 1.808) 2.271 9.303 ( -2.000 5.731 -3.842) 7.184 9.664 ( 2.565 0.187 1.961) 3.234 9.792 ( 3.162 6.179 -0.232) 6.945 9.900 ( 0.035 -1.834 0.798) 2.000 10.032 ( -2.438 -8.903 -7.427) 11.848 10.074 ( -0.334 7.100 1.441) 7.253 10.569 ( 3.735 3.838 1.795) 5.648 10.961 ( -0.584 -0.505 0.139) 0.785 11.250 ( -2.686 -3.752 -0.245) 4.621 11.412 ( -1.156 5.118 0.654) 5.287 11.629 ( 2.500 -5.244 -1.999) 6.144 11.761 ( 0.780 0.867 -2.118) 2.417 11.963 ( 7.900 5.675 6.337) 11.609 12.069 ( -0.679 -1.854 3.199) 3.759 12.184 ( -0.628 -4.498 -3.700) 5.858 12.332 ( -2.443 3.018 1.104) 4.037 12.545 ( 1.568 2.808 4.452) 5.492 12.672 ( -2.004 3.133 -6.479) 7.470 12.803 ( -0.500 4.837 -4.089) 6.353 13.379 ( -5.237 -3.356 2.589) 6.737 13.591 ( 6.263 -2.904 1.226) 7.012 13.749 ( -4.959 -5.967 -2.796) 8.247 13.813 ( 2.247 -3.462 -2.386) 4.767 14.317 ( 1.583 10.684 7.282) 13.026 14.510 ( -4.854 -2.426 -1.989) 5.780 14.926 ( 3.124 -4.983 -1.919) 6.186 15.107 ( -2.715 -5.216 -2.449) 6.370 15.291 ( -0.955 -0.197 -3.590) 3.720 15.419 ( -0.641 -2.480 -0.714) 2.659 15.771 ( 1.519 -3.222 5.167) 6.276 16.075 ( 0.924 4.097 1.346) 4.411 16.352 ( 2.334 -5.806 0.458) 6.274 16.494 ( -6.659 -3.621 -5.866) 9.585 17.003 ( -0.391 -2.236 2.002) 3.026 17.165 ( 1.574 -1.140 -4.294) 4.713 17.353 ( -4.993 -1.718 2.339) 5.775 17.417 ( 3.145 -0.858 0.354) 3.279 19.832 ( -1.124 -7.239 3.522) 8.129 20.040 ( -4.428 -12.816 1.137) 13.607 20.263 ( 1.687 14.832 -1.042) 14.964 20.555 ( 1.409 13.542 -1.151) 13.664 22.211 ( 2.885 -15.444 -0.542) 15.721 22.559 ( -1.638 -5.667 1.830) 6.177 22.667 ( 0.332 2.548 -2.555) 3.623 23.044 ( 1.023 10.198 -0.010) 10.249 27.466 ( 1.131 -20.976 1.822) 21.085 27.638 ( -8.754 -19.484 -6.313) 22.274 28.306 ( -1.778 24.124 -1.156) 24.217 28.624 ( 8.767 18.530 6.502) 21.506 30.331 ( -1.345 -1.748 -1.832) 2.867 30.340 ( -2.002 -3.588 -1.209) 4.283 30.730 ( 0.555 -15.526 -2.812) 15.788 31.094 ( 0.513 -1.047 2.218) 2.506 31.141 ( -1.600 -0.389 -0.613) 1.758 31.285 ( -3.200 4.522 -1.363) 5.704 31.329 ( 2.537 7.066 -2.195) 7.822 32.305 ( 9.560 9.802 1.869) 13.819 32.702 ( 2.191 -0.375 6.489) 6.859 32.860 ( 0.943 -0.504 2.767) 2.966 32.910 ( -3.152 -2.135 1.854) 4.234 33.301 ( 0.075 9.561 -3.977) 10.355 34.778 ( -1.164 -0.029 -0.474) 1.257 34.886 ( -2.026 0.429 -0.904) 2.260 35.064 ( 0.769 -0.696 1.983) 2.238 35.149 ( 1.454 -1.138 0.593) 1.939 35.281 ( -0.686 -0.260 -3.019) 3.107 35.492 ( 0.612 -0.161 2.264) 2.351 36.587 ( -9.244 -23.034 -6.310) 25.610 37.544 ( 7.245 20.163 4.377) 21.868 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -13.194 10.501 -7.469) 18.443 1.856 ( -3.639 16.804 -2.359) 17.354 2.053 ( 3.502 -8.599 2.149) 9.531 2.174 ( 3.442 2.714 0.646) 4.430 2.329 ( -1.060 -5.172 -2.952) 6.049 2.619 ( 0.512 -7.191 5.720) 9.203 2.791 ( -1.034 3.197 -1.467) 3.666 2.933 ( -1.723 2.008 -5.635) 6.225 3.145 ( 1.601 2.869 1.466) 3.597 3.183 ( 7.175 9.934 6.920) 14.073 3.296 ( -5.807 2.334 0.713) 6.299 3.348 ( 0.438 3.924 -2.587) 4.720 3.398 ( 0.330 0.442 6.717) 6.739 3.561 ( 3.767 2.110 1.151) 4.469 3.583 ( 8.502 -1.492 -1.688) 8.795 3.828 ( 2.397 -0.453 -1.015) 2.642 3.873 ( -4.888 -3.022 -1.272) 5.886 4.188 ( -4.426 -3.171 -1.910) 5.769 4.272 ( -5.073 0.094 -0.680) 5.119 4.450 ( -1.829 2.285 -0.888) 3.059 4.651 ( -4.885 0.801 3.444) 6.031 4.845 ( 7.103 -6.667 0.749) 9.771 4.989 ( -0.769 1.529 -1.049) 2.007 5.108 ( -2.971 -7.059 -0.995) 7.723 5.306 ( -3.330 1.446 -8.108) 8.884 5.399 ( -2.168 6.690 -0.811) 7.079 5.483 ( 2.201 -0.779 0.111) 2.337 5.689 ( 0.997 1.091 0.672) 1.624 5.738 ( 3.338 -0.855 4.065) 5.329 6.072 ( 13.526 -5.659 9.220) 17.320 7.335 ( -7.095 3.956 -7.065) 10.765 7.576 ( -11.837 2.177 -9.023) 15.042 7.773 ( 4.198 -2.255 2.800) 5.527 8.158 ( 10.382 -1.480 11.173) 15.323 8.659 ( -4.245 -1.927 -2.443) 5.263 8.796 ( 3.354 3.718 -0.217) 5.012 8.851 ( -2.997 -0.285 1.625) 3.421 8.979 ( 2.249 2.474 -2.759) 4.335 9.108 ( -1.398 1.815 0.835) 2.439 9.227 ( 0.012 0.806 -0.708) 1.073 9.696 ( 0.944 -3.549 -1.672) 4.035 9.726 ( 5.183 5.020 2.634) 7.681 9.924 ( -6.694 -3.766 -3.028) 8.256 9.981 ( 1.400 4.830 1.592) 5.275 10.131 ( -0.718 -5.977 -0.952) 6.095 10.522 ( 0.139 4.316 1.293) 4.507 10.972 ( 0.758 -1.027 -0.132) 1.283 11.300 ( -2.059 -2.208 0.458) 3.054 11.330 ( -2.157 0.514 -0.492) 2.271 11.685 ( 0.713 2.182 -2.214) 3.189 11.734 ( 2.292 0.501 2.376) 3.340 11.896 ( 0.444 5.795 -0.253) 5.817 12.143 ( 4.661 -1.419 4.555) 6.670 12.277 ( -0.105 -5.994 -2.960) 6.686 12.293 ( -1.717 0.940 1.937) 2.753 12.479 ( 1.300 7.117 0.887) 7.288 12.653 ( -1.100 -5.130 -1.566) 5.475 12.733 ( -2.206 -1.289 -1.234) 2.837 13.450 ( -0.468 -3.446 2.692) 4.398 13.645 ( 5.913 0.435 -2.218) 6.330 13.749 ( -0.844 4.657 2.249) 5.240 13.874 ( -7.994 -8.713 -4.979) 12.830 14.111 ( 0.524 12.736 2.651) 13.020 14.542 ( -2.350 -2.349 -4.385) 5.502 14.973 ( 1.081 0.829 -0.398) 1.419 15.220 ( 1.045 -5.870 -2.447) 6.445 15.246 ( -1.916 -3.527 4.760) 6.226 15.466 ( 4.045 0.644 1.406) 4.330 15.850 ( -0.617 -0.259 1.046) 1.242 15.996 ( 1.325 5.610 -0.512) 5.787 16.258 ( -7.042 2.428 -6.149) 9.659 16.699 ( 6.272 -10.489 5.072) 13.232 17.046 ( -0.827 -1.374 2.536) 3.001 17.170 ( 1.836 -0.048 -2.269) 2.919 17.324 ( -4.405 1.638 0.189) 4.704 17.453 ( 2.870 -0.889 -0.581) 3.060 19.985 ( 1.328 -0.955 -0.158) 1.643 20.033 ( -1.288 2.765 0.229) 3.058 20.265 ( -1.492 -13.535 0.625) 13.631 20.341 ( 1.751 10.515 -0.528) 10.673 22.393 ( -0.712 11.325 0.197) 11.349 22.503 ( 1.574 -11.910 1.143) 12.068 22.816 ( -0.204 -5.035 0.274) 5.047 22.850 ( -0.232 6.244 -0.914) 6.315 27.784 ( 1.416 7.683 0.640) 7.839 27.907 ( -5.571 -13.922 -3.992) 15.518 27.928 ( -1.659 -10.837 0.152) 10.964 28.465 ( 10.864 12.030 6.995) 17.655 30.342 ( -3.003 -0.011 -2.719) 4.051 30.352 ( -1.056 -2.064 -0.422) 2.357 30.936 ( 0.472 -4.542 -0.798) 4.636 31.016 ( 0.374 9.086 0.029) 9.094 31.152 ( 1.437 0.980 -0.971) 1.992 31.171 ( -2.839 0.585 2.102) 3.580 31.306 ( -5.383 -6.541 -5.144) 9.911 32.141 ( 3.841 13.449 2.774) 14.259 32.667 ( -0.501 6.128 -2.150) 6.514 32.865 ( -0.315 -3.412 1.966) 3.950 33.034 ( 1.135 5.365 1.720) 5.748 33.172 ( -0.762 -6.508 -1.271) 6.674 34.775 ( -0.682 -0.669 -0.345) 1.016 34.874 ( -1.217 -0.882 -0.801) 1.703 35.085 ( 1.792 0.435 1.262) 2.235 35.182 ( 2.449 -0.420 0.688) 2.579 35.263 ( -2.445 -0.574 -1.483) 2.917 35.499 ( 0.882 0.956 0.900) 1.582 36.898 ( -5.846 -20.428 -3.552) 21.543 37.268 ( 5.619 17.370 3.542) 18.597 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -10.232 21.044 -7.288) 24.508 1.465 ( -7.559 19.898 -2.678) 21.454 2.065 ( -0.197 6.659 -3.401) 7.480 2.217 ( 3.515 -2.384 4.572) 6.240 2.389 ( 1.992 2.537 -0.241) 3.235 2.575 ( 5.988 17.025 -1.686) 18.126 2.735 ( -3.569 3.685 0.426) 5.148 2.775 ( -8.415 8.999 -4.329) 13.059 3.088 ( 1.254 3.909 4.689) 6.232 3.118 ( 2.491 1.130 -0.784) 2.845 3.241 ( -2.001 -0.228 0.130) 2.018 3.290 ( -0.877 2.119 -0.453) 2.337 3.416 ( -4.067 7.152 -1.673) 8.396 3.441 ( 1.441 -1.350 3.568) 4.078 3.706 ( 8.380 -5.780 0.261) 10.183 3.874 ( 4.912 -2.222 -2.620) 5.994 3.901 ( -10.955 -6.201 4.227) 13.279 4.206 ( -2.621 3.743 0.227) 4.575 4.257 ( -0.086 -5.498 0.591) 5.531 4.380 ( -0.922 3.550 -1.381) 3.919 4.695 ( 2.522 -7.084 2.406) 7.895 4.919 ( 1.793 2.241 1.681) 3.326 4.986 ( -4.100 -3.865 -3.868) 6.834 5.216 ( -1.789 2.256 -4.560) 5.393 5.270 ( 0.358 8.085 -1.014) 8.157 5.344 ( 2.083 -15.855 2.549) 16.194 5.492 ( 1.074 1.573 1.016) 2.159 5.656 ( -0.619 1.849 -0.327) 1.978 5.835 ( 2.957 -3.965 2.774) 5.671 6.269 ( 8.764 -0.897 7.386) 11.496 7.208 ( -4.285 1.538 -4.814) 6.626 7.417 ( -8.248 1.364 -7.939) 11.529 7.867 ( 4.397 -2.926 1.484) 5.486 8.240 ( 5.253 4.470 5.082) 8.567 8.644 ( -3.720 -0.807 -1.621) 4.137 8.793 ( 3.147 0.071 -2.354) 3.930 8.833 ( -2.876 -0.225 1.271) 3.153 8.915 ( -1.197 1.978 -1.990) 3.050 9.107 ( -0.134 -1.118 0.837) 1.403 9.244 ( -1.914 -3.599 -0.080) 4.078 9.692 ( 2.837 2.909 1.487) 4.327 9.808 ( 3.653 -3.487 -1.263) 5.206 9.907 ( -6.829 -1.139 -2.926) 7.516 9.945 ( 1.440 -2.236 2.341) 3.543 10.196 ( 0.124 -0.430 1.176) 1.258 10.490 ( -1.079 -3.300 0.082) 3.473 11.007 ( 0.580 -2.261 -0.226) 2.345 11.316 ( 0.248 -1.145 2.229) 2.518 11.350 ( -1.972 -3.171 -0.169) 3.738 11.625 ( -0.049 2.204 -2.341) 3.216 11.730 ( 1.419 3.611 3.318) 5.105 11.808 ( -1.267 2.715 -1.492) 3.347 12.111 ( 2.179 12.678 0.682) 12.882 12.298 ( 0.230 -3.179 1.944) 3.734 12.345 ( -1.542 -3.874 -2.608) 4.918 12.438 ( 2.437 -2.007 -0.366) 3.178 12.764 ( -1.322 -7.262 0.547) 7.401 12.822 ( -1.005 -9.220 1.438) 9.386 13.430 ( 1.141 6.219 -0.136) 6.324 13.593 ( -1.515 9.905 0.094) 10.021 13.737 ( 5.649 -4.289 2.633) 7.566 13.913 ( -9.648 -5.668 -6.434) 12.908 13.970 ( 2.039 5.847 1.631) 6.403 14.481 ( -2.212 3.490 -2.503) 4.831 14.890 ( -1.367 6.670 -0.836) 6.860 15.341 ( 6.858 -6.335 1.234) 9.417 15.412 ( -2.036 -5.345 3.486) 6.699 15.477 ( 3.956 0.200 4.452) 5.959 15.720 ( -4.616 9.232 -5.302) 11.604 15.867 ( -0.617 7.559 -2.531) 7.996 16.249 ( -0.946 -5.689 0.279) 5.773 16.926 ( 6.456 -6.151 3.789) 9.689 17.062 ( -0.199 0.795 3.490) 3.585 17.170 ( 0.590 0.377 -0.745) 1.023 17.237 ( -4.750 3.238 -2.048) 6.102 17.493 ( 3.364 -1.532 -0.521) 3.733 19.799 ( 0.704 10.454 -1.442) 10.577 20.155 ( 2.326 10.474 -0.286) 10.733 20.233 ( -0.894 -14.101 0.512) 14.138 20.538 ( -0.611 -15.843 0.438) 15.861 22.129 ( -1.937 15.851 0.358) 15.973 22.582 ( 0.016 15.097 -0.477) 15.104 22.747 ( 1.596 -11.209 1.831) 11.469 23.020 ( -0.161 -10.505 -0.011) 10.506 27.416 ( -0.158 20.777 -0.440) 20.783 28.171 ( 2.797 -14.190 4.239) 15.071 28.301 ( 1.312 -18.295 3.174) 18.615 28.452 ( 4.863 -3.016 -1.414) 5.894 30.249 ( -5.491 5.219 -4.558) 8.841 30.358 ( -0.509 1.707 0.414) 1.829 30.786 ( 0.254 13.313 1.080) 13.359 30.878 ( -4.431 6.811 -2.455) 8.488 31.206 ( 1.105 -3.850 -0.196) 4.010 31.240 ( -0.458 -8.912 0.818) 8.961 31.346 ( -2.031 -0.757 -1.521) 2.648 31.990 ( -2.208 3.199 -0.847) 3.978 32.498 ( -0.671 10.019 -2.952) 10.466 32.828 ( -0.269 13.626 0.194) 13.630 32.968 ( 0.943 -5.693 -0.057) 5.771 33.371 ( 0.027 -10.956 1.325) 11.036 34.787 ( -0.254 -1.180 -0.197) 1.223 34.883 ( -0.655 -1.077 -0.545) 1.373 35.092 ( 2.253 1.087 0.440) 2.540 35.211 ( 1.917 -0.506 0.884) 2.170 35.248 ( -2.810 -0.692 -0.518) 2.940 35.483 ( 0.739 1.760 0.011) 1.909 36.945 ( 2.767 12.940 1.753) 13.348 37.293 ( -1.615 -17.053 -0.587) 17.139 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 23.508 0.000) 23.508 1.017 ( 0.000 25.563 0.000) 25.563 1.867 ( 0.000 46.788 0.000) 46.788 1.917 ( 0.000 7.874 0.000) 7.874 2.303 ( 0.000 11.571 0.000) 11.571 2.331 ( -0.000 -4.325 -0.000) 4.325 2.639 ( 0.000 2.124 0.000) 2.124 2.735 ( -0.000 -3.266 -0.000) 3.266 3.019 ( 0.000 4.202 0.000) 4.202 3.121 ( 0.000 0.282 0.000) 0.282 3.247 ( 0.000 0.283 0.000) 0.283 3.265 ( -0.000 -0.719 -0.000) 0.719 3.333 ( 0.000 0.567 0.000) 0.567 3.579 ( -0.000 -9.740 -0.000) 9.740 3.906 ( -0.000 -8.898 -0.000) 8.898 3.918 ( -0.000 -3.776 -0.000) 3.776 3.982 ( -0.000 -6.113 -0.000) 6.113 4.101 ( 0.000 6.143 0.000) 6.143 4.321 ( 0.000 1.719 0.000) 1.719 4.342 ( -0.000 -3.851 -0.000) 3.851 4.827 ( 0.000 10.137 0.000) 10.137 4.872 ( -0.000 -4.832 -0.000) 4.832 5.030 ( -0.000 -8.265 -0.000) 8.265 5.071 ( 0.000 13.781 0.000) 13.781 5.184 ( -0.000 -0.628 -0.000) 0.628 5.453 ( 0.000 3.410 0.000) 3.410 5.618 ( 0.000 1.686 0.000) 1.686 5.629 ( -0.000 -12.433 -0.000) 12.433 5.953 ( -0.000 -7.275 -0.000) 7.275 6.308 ( 0.000 1.935 0.000) 1.935 7.168 ( -0.000 -0.419 -0.000) 0.419 7.331 ( 0.000 1.934 0.000) 1.934 7.926 ( -0.000 -0.615 -0.000) 0.615 8.175 ( 0.000 5.733 0.000) 5.733 8.589 ( 0.000 2.878 0.000) 2.878 8.787 ( -0.000 -0.194 -0.000) 0.194 8.878 ( 0.000 0.380 0.000) 0.380 8.894 ( -0.000 -4.284 -0.000) 4.284 9.122 ( -0.000 -0.180 -0.000) 0.180 9.314 ( -0.000 -4.350 -0.000) 4.350 9.658 ( 0.000 3.050 0.000) 3.050 9.796 ( 0.000 2.959 0.000) 2.959 9.857 ( 0.000 0.498 0.000) 0.498 10.145 ( -0.000 -13.683 -0.000) 13.683 10.186 ( 0.000 0.387 0.000) 0.387 10.622 ( -0.000 -10.093 -0.000) 10.093 11.056 ( -0.000 -3.031 -0.000) 3.031 11.332 ( -0.000 -0.415 -0.000) 0.415 11.423 ( -0.000 -2.810 -0.000) 2.810 11.588 ( 0.000 0.677 0.000) 0.677 11.700 ( 0.000 1.077 0.000) 1.077 11.755 ( 0.000 2.513 0.000) 2.513 11.868 ( 0.000 11.878 0.000) 11.878 12.368 ( -0.000 -2.954 -0.000) 2.954 12.388 ( -0.000 -2.584 -0.000) 2.584 12.491 ( -0.000 -1.536 -0.000) 1.536 12.900 ( -0.000 -8.180 -0.000) 8.180 12.987 ( -0.000 -8.064 -0.000) 8.064 13.302 ( 0.000 7.558 0.000) 7.558 13.452 ( 0.000 3.970 0.000) 3.970 13.793 ( 0.000 3.713 0.000) 3.713 13.878 ( 0.000 5.985 0.000) 5.985 13.959 ( -0.000 -7.946 -0.000) 7.946 14.409 ( 0.000 2.130 0.000) 2.130 14.759 ( 0.000 6.794 0.000) 6.794 15.302 ( 0.000 13.455 0.000) 13.455 15.417 ( 0.000 5.820 0.000) 5.820 15.512 ( 0.000 8.012 0.000) 8.012 15.618 ( -0.000 -9.941 -0.000) 9.941 15.825 ( -0.000 -5.479 -0.000) 5.479 16.362 ( -0.000 -6.026 -0.000) 6.026 17.027 ( -0.000 -0.587 -0.000) 0.587 17.058 ( 0.000 1.679 0.000) 1.679 17.143 ( 0.000 2.148 0.000) 2.148 17.158 ( 0.000 1.323 0.000) 1.323 17.550 ( -0.000 -2.640 -0.000) 2.640 19.643 ( 0.000 6.705 0.000) 6.705 19.992 ( 0.000 8.838 0.000) 8.838 20.491 ( -0.000 -15.007 -0.000) 15.007 20.815 ( -0.000 -15.010 -0.000) 15.010 21.827 ( 0.000 16.870 0.000) 16.870 22.304 ( 0.000 15.455 0.000) 15.455 22.936 ( -0.000 -8.268 -0.000) 8.268 23.190 ( -0.000 -8.423 -0.000) 8.423 27.092 ( 0.000 15.333 0.000) 15.333 28.395 ( 0.000 3.021 0.000) 3.021 28.561 ( -0.000 -21.402 -0.000) 21.402 28.725 ( -0.000 -22.408 -0.000) 22.408 30.028 ( 0.000 13.058 0.000) 13.058 30.262 ( 0.000 9.114 0.000) 9.114 30.568 ( 0.000 11.166 0.000) 11.166 30.730 ( 0.000 6.083 0.000) 6.083 31.263 ( 0.000 7.100 0.000) 7.100 31.323 ( -0.000 -8.984 -0.000) 8.984 31.434 ( -0.000 -12.447 -0.000) 12.447 32.002 ( -0.000 -5.171 -0.000) 5.171 32.283 ( 0.000 12.476 0.000) 12.476 32.569 ( 0.000 15.007 0.000) 15.007 33.070 ( -0.000 -5.030 -0.000) 5.030 33.540 ( -0.000 -7.441 -0.000) 7.441 34.809 ( -0.000 -1.454 -0.000) 1.454 34.891 ( -0.000 -0.272 -0.000) 0.272 35.083 ( 0.000 1.125 0.000) 1.125 35.237 ( -0.000 -0.914 -0.000) 0.914 35.244 ( -0.000 -0.565 -0.000) 0.565 35.453 ( 0.000 1.747 0.000) 1.747 36.743 ( 0.000 11.048 0.000) 11.048 37.584 ( -0.000 -15.185 -0.000) 15.185 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 20.862 0.000 5.656) 21.615 1.125 ( 24.508 0.000 12.425) 27.478 1.925 ( 34.013 0.000 12.614) 36.277 2.060 ( 9.130 0.000 -6.701) 11.326 2.162 ( 5.137 0.000 4.059) 6.547 2.476 ( -4.657 -0.000 -1.155) 4.798 2.635 ( -4.830 -0.000 2.605) 5.488 2.707 ( 5.048 0.000 -1.019) 5.150 2.979 ( -3.012 -0.000 -2.250) 3.760 3.155 ( 1.398 0.000 -1.776) 2.260 3.283 ( 7.640 0.000 9.206) 11.963 3.336 ( -2.821 -0.000 8.580) 9.032 3.411 ( 0.287 0.000 5.479) 5.486 3.502 ( 0.896 0.000 11.104) 11.140 3.753 ( -3.849 -0.000 -12.934) 13.495 3.812 ( -2.084 -0.000 -2.116) 2.970 3.927 ( -7.128 -0.000 0.342) 7.136 4.168 ( -1.435 -0.000 -5.228) 5.421 4.249 ( -4.054 -0.000 -7.575) 8.591 4.262 ( -12.022 -0.000 -4.286) 12.763 4.645 ( 9.880 0.000 -3.109) 10.358 4.769 ( 9.323 0.000 5.253) 10.701 5.053 ( 5.818 0.000 0.767) 5.869 5.212 ( 6.434 0.000 -1.738) 6.665 5.315 ( 2.540 0.000 1.734) 3.075 5.513 ( -0.532 -0.000 -1.795) 1.873 5.513 ( -7.065 -0.000 -2.726) 7.573 5.620 ( 3.553 0.000 -3.618) 5.071 5.920 ( -4.508 -0.000 -2.082) 4.965 6.165 ( -3.199 -0.000 -3.537) 4.769 7.532 ( 3.409 0.000 8.317) 8.989 7.618 ( 4.988 0.000 16.014) 16.773 7.854 ( -0.114 -0.000 -2.706) 2.709 8.009 ( -1.297 -0.000 -1.286) 1.826 8.858 ( 5.440 0.000 -0.368) 5.452 8.887 ( 0.621 0.000 0.190) 0.649 8.983 ( 2.493 0.000 6.962) 7.394 9.161 ( -2.042 -0.000 -0.828) 2.203 9.222 ( 7.427 0.000 -0.474) 7.442 9.280 ( 7.438 0.000 -3.945) 8.420 9.656 ( 2.445 0.000 -5.376) 5.906 9.730 ( -7.519 -0.000 -1.772) 7.725 9.890 ( -4.862 -0.000 4.013) 6.304 9.984 ( -8.928 -0.000 2.034) 9.157 10.535 ( 2.691 0.000 1.724) 3.196 10.838 ( -1.549 -0.000 -5.265) 5.488 10.852 ( -2.066 -0.000 -0.054) 2.066 11.329 ( -6.102 -0.000 -6.426) 8.862 11.393 ( 6.935 0.000 -1.210) 7.040 11.641 ( 0.539 0.000 -0.264) 0.600 11.724 ( 5.073 0.000 -7.856) 9.352 11.803 ( -1.243 -0.000 4.841) 4.998 12.206 ( 12.059 0.000 8.169) 14.565 12.344 ( -3.671 -0.000 -4.500) 5.808 12.476 ( -3.499 -0.000 1.900) 3.982 12.609 ( 2.595 0.000 4.244) 4.975 13.000 ( -0.967 -0.000 -1.803) 2.046 13.110 ( 3.322 0.000 -10.226) 10.752 13.287 ( -6.943 -0.000 7.064) 9.905 13.347 ( -1.534 -0.000 -0.185) 1.545 13.545 ( -2.545 -0.000 -3.433) 4.274 13.602 ( 1.600 0.000 -1.182) 1.989 14.450 ( -0.054 -0.000 -0.724) 0.726 14.515 ( -1.433 -0.000 1.065) 1.785 14.619 ( -9.730 -0.000 -5.501) 11.177 14.877 ( -0.746 -0.000 2.805) 2.902 15.056 ( -2.413 -0.000 -8.773) 9.099 15.171 ( -0.440 -0.000 -3.553) 3.580 15.673 ( -4.650 -0.000 9.146) 10.260 16.168 ( -0.455 -0.000 7.566) 7.579 16.366 ( 1.555 0.000 -6.932) 7.105 16.379 ( 1.166 0.000 -3.265) 3.467 16.933 ( -0.784 -0.000 0.591) 0.982 17.044 ( -2.050 -0.000 -0.496) 2.109 17.109 ( -0.949 -0.000 -4.920) 5.010 17.309 ( 7.059 0.000 4.018) 8.123 19.659 ( 2.258 0.000 8.844) 9.127 19.702 ( -6.922 -0.000 1.756) 7.141 20.976 ( 2.161 0.000 0.267) 2.177 21.075 ( -0.662 -0.000 -0.789) 1.030 21.488 ( 4.097 0.000 -5.598) 6.938 21.976 ( 1.735 0.000 1.175) 2.095 23.076 ( 0.115 0.000 -1.161) 1.167 23.319 ( 0.846 0.000 -0.100) 0.851 26.800 ( 0.420 0.000 -0.759) 0.868 26.807 ( 0.468 0.000 -0.708) 0.849 29.309 ( 3.098 0.000 2.764) 4.152 29.343 ( 0.721 0.000 0.970) 1.208 29.769 ( -3.947 -0.000 -3.363) 5.185 30.298 ( -1.487 -0.000 -1.996) 2.489 30.387 ( -3.775 -0.000 -4.519) 5.888 31.012 ( -3.308 -0.000 -0.739) 3.389 31.047 ( -1.391 -0.000 -1.010) 1.719 31.609 ( 5.364 0.000 -2.403) 5.877 31.898 ( 6.796 0.000 2.463) 7.228 31.949 ( -0.207 -0.000 -0.009) 0.207 32.162 ( 2.590 0.000 1.219) 2.863 33.056 ( -5.372 -0.000 -1.319) 5.532 33.612 ( -1.417 -0.000 -2.076) 2.514 34.256 ( -7.785 -0.000 13.358) 15.461 34.824 ( 6.391 0.000 -14.656) 15.989 34.928 ( 0.232 0.000 2.098) 2.110 35.052 ( -5.435 -0.000 -4.460) 7.031 35.077 ( -3.765 -0.000 6.705) 7.690 35.290 ( -2.969 -0.000 -2.207) 3.699 35.310 ( -0.762 -0.000 -1.516) 1.697 35.444 ( 2.837 0.000 0.974) 3.000 38.098 ( 10.776 0.000 7.573) 13.171 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 14.334 -6.585 5.200) 16.609 1.440 ( 13.298 -7.864 7.212) 17.050 2.061 ( 7.252 0.416 -6.208) 9.555 2.224 ( 11.513 -1.955 3.843) 12.294 2.253 ( 7.129 -5.464 1.159) 9.057 2.535 ( -2.149 -7.026 0.978) 7.412 2.627 ( 2.065 -1.934 5.748) 6.407 2.732 ( 2.537 2.003 3.350) 4.655 3.021 ( 2.629 -8.674 -2.160) 9.318 3.166 ( -0.026 -2.628 -7.311) 7.769 3.330 ( -0.388 2.387 9.120) 9.435 3.397 ( -0.026 0.522 6.345) 6.367 3.418 ( 0.091 2.614 8.259) 8.663 3.518 ( 2.407 3.706 2.675) 5.166 3.652 ( 0.164 1.102 -7.203) 7.288 3.780 ( -5.365 0.162 -1.908) 5.697 3.893 ( -8.846 -3.268 -0.910) 9.474 4.144 ( -1.731 -0.017 -6.867) 7.082 4.168 ( -3.352 -1.974 -4.132) 5.675 4.229 ( -8.517 -5.661 -3.659) 10.861 4.705 ( 11.567 1.911 -1.712) 11.848 4.827 ( 6.463 4.018 4.337) 8.759 5.076 ( 3.713 1.452 -1.292) 4.191 5.310 ( 1.715 -4.504 0.771) 4.881 5.381 ( 3.713 1.972 -0.587) 4.245 5.402 ( 3.793 -0.338 -0.546) 3.847 5.486 ( -2.375 -0.490 3.066) 3.909 5.671 ( 2.807 -2.799 -2.389) 4.628 5.823 ( -3.042 5.766 -2.836) 7.110 6.060 ( -3.017 7.203 -2.497) 8.199 7.596 ( 7.041 0.449 7.220) 10.095 7.789 ( 2.997 -1.616 10.943) 11.460 7.796 ( 0.600 2.624 -0.582) 2.754 7.961 ( -3.684 3.029 -1.677) 5.055 8.833 ( 1.334 4.731 -1.526) 5.147 8.845 ( -4.036 2.759 -0.620) 4.929 8.988 ( 2.235 3.584 4.212) 5.965 9.147 ( -0.595 -1.099 -1.588) 2.021 9.219 ( 3.728 3.691 -1.814) 5.551 9.361 ( 1.880 -2.031 -1.711) 3.254 9.659 ( -1.156 -1.494 2.026) 2.770 9.715 ( -2.945 -5.407 -4.718) 7.757 9.864 ( 1.579 1.917 0.361) 2.510 9.987 ( -0.744 -0.640 6.602) 6.674 10.452 ( 3.206 11.139 -0.175) 11.593 10.779 ( 0.948 6.496 1.477) 6.728 10.850 ( -0.974 -4.300 -1.807) 4.765 11.229 ( -5.283 1.718 -4.518) 7.160 11.458 ( 6.224 -1.977 -0.891) 6.591 11.627 ( -0.255 2.951 1.708) 3.420 11.685 ( 3.543 -0.241 -8.054) 8.802 11.887 ( -1.838 -5.855 2.826) 6.756 12.191 ( 4.866 7.726 5.302) 10.559 12.307 ( 4.308 4.017 -1.585) 6.100 12.444 ( -5.117 1.792 0.773) 5.477 12.593 ( -1.129 2.199 1.642) 2.967 12.889 ( -1.150 8.031 -6.363) 10.310 13.002 ( -1.053 6.397 -4.217) 7.734 13.307 ( -3.798 -2.613 6.444) 7.923 13.396 ( 1.204 -4.604 -1.150) 4.896 13.609 ( 0.925 -3.423 -1.141) 3.725 13.615 ( 0.637 -5.279 -0.479) 5.339 14.365 ( -7.407 4.395 -3.087) 9.149 14.564 ( -3.248 -11.759 -2.051) 12.371 14.729 ( 5.193 -6.594 0.206) 8.396 14.871 ( -1.900 -5.206 0.577) 5.572 15.105 ( -3.034 -5.383 -1.405) 6.337 15.139 ( -7.048 -4.987 -10.699) 13.748 15.784 ( 1.887 -4.568 13.006) 13.914 16.118 ( 4.302 5.989 3.526) 8.174 16.282 ( -1.098 3.471 -4.208) 5.564 16.417 ( -5.302 -2.788 -7.129) 9.312 16.944 ( -0.514 -1.227 1.407) 1.937 17.093 ( -0.551 -1.721 -4.432) 4.787 17.123 ( -2.458 -9.004 -0.061) 9.333 17.389 ( 5.118 -0.916 3.053) 6.029 19.703 ( -6.000 -4.820 1.750) 7.893 19.725 ( 1.253 -0.435 7.242) 7.363 20.802 ( 1.611 14.625 -0.111) 14.714 21.017 ( -0.113 9.224 -0.913) 9.269 21.632 ( 2.992 -14.268 -3.321) 14.952 22.111 ( 1.236 -11.285 0.832) 11.383 22.985 ( 0.597 8.422 -0.763) 8.477 23.295 ( 1.030 3.557 0.052) 3.704 26.884 ( 0.668 -9.675 -0.105) 9.699 26.959 ( -3.029 -15.327 -2.783) 15.869 29.083 ( -1.166 19.625 0.370) 19.663 29.264 ( 3.418 11.992 2.748) 12.769 29.959 ( -0.532 -18.486 -2.515) 18.664 30.303 ( -2.480 -3.310 -2.362) 4.763 30.324 ( -3.152 0.796 -3.939) 5.108 31.000 ( -1.952 -1.777 1.089) 2.856 31.054 ( -1.416 -2.218 -1.222) 2.902 31.534 ( 3.517 8.750 -0.726) 9.458 31.757 ( 3.123 11.912 0.152) 12.315 32.143 ( 3.861 -10.838 1.355) 11.585 32.320 ( 2.446 -11.919 0.589) 12.181 32.988 ( -5.445 1.917 -1.447) 5.952 33.551 ( -1.211 4.694 -1.491) 5.072 33.792 ( 6.339 38.634 10.911) 40.642 34.787 ( -1.277 0.410 -2.542) 2.874 34.918 ( -4.129 0.780 -0.978) 4.315 35.021 ( 0.821 -1.024 1.601) 2.070 35.085 ( 0.776 -1.610 1.676) 2.450 35.281 ( -0.100 0.168 -4.144) 4.149 35.470 ( -0.648 -1.041 4.934) 5.084 35.665 ( -7.823 -29.351 -9.621) 31.863 38.128 ( 9.210 9.990 6.323) 14.987 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.124 -11.758 5.286) 13.873 1.658 ( -0.001 -10.950 1.911) 11.115 2.050 ( 1.724 3.174 -4.049) 5.427 2.322 ( 3.206 -4.160 3.450) 6.284 2.390 ( 8.170 2.060 2.149) 8.696 2.544 ( -2.178 6.086 -1.309) 6.595 2.722 ( 0.972 -2.612 0.934) 2.940 2.851 ( 3.010 -11.554 3.491) 12.439 3.166 ( 0.926 -3.503 -3.402) 4.970 3.275 ( 6.527 -7.101 1.895) 9.829 3.325 ( -0.130 1.170 2.943) 3.169 3.329 ( 0.476 0.339 -3.592) 3.639 3.463 ( 2.377 -0.490 1.130) 2.677 3.480 ( -4.590 0.842 6.296) 7.836 3.610 ( 4.654 2.612 -1.410) 5.520 3.766 ( -2.114 -3.380 -2.439) 4.674 3.879 ( -4.947 -1.020 -0.928) 5.135 4.097 ( -6.023 -1.274 -0.479) 6.174 4.162 ( -1.235 -1.641 -4.192) 4.668 4.296 ( -4.091 -7.917 -1.595) 9.053 4.705 ( 4.621 4.653 -0.174) 6.560 4.804 ( 4.330 4.157 3.462) 6.929 5.049 ( 0.348 1.231 -4.307) 4.493 5.201 ( -2.214 7.756 -3.946) 8.979 5.409 ( 1.628 -2.755 1.470) 3.522 5.499 ( 4.614 2.795 3.742) 6.566 5.599 ( -0.481 0.397 -0.965) 1.149 5.715 ( 1.651 -3.238 -0.598) 3.684 5.746 ( 6.160 -4.355 2.875) 8.073 5.854 ( -2.234 10.182 -0.899) 10.462 7.618 ( -1.176 9.279 -2.718) 9.740 7.684 ( 0.957 1.856 2.455) 3.223 7.791 ( -5.397 5.491 -2.563) 8.115 8.007 ( 7.468 -5.196 11.956) 15.024 8.714 ( -3.627 5.915 -0.910) 6.997 8.783 ( -4.168 -1.232 -2.452) 4.990 8.972 ( 2.717 3.251 4.687) 6.318 9.147 ( 3.341 2.960 -3.912) 5.935 9.160 ( 0.061 1.429 1.337) 1.958 9.309 ( -3.821 3.575 -3.428) 6.255 9.710 ( -1.804 -0.204 3.458) 3.905 9.779 ( -3.321 -6.224 -3.898) 8.060 9.848 ( 4.466 0.230 -3.661) 5.780 10.030 ( 4.957 3.268 7.624) 9.663 10.248 ( 1.910 11.985 -1.581) 12.239 10.698 ( 4.190 5.686 2.123) 7.375 10.923 ( -0.713 -3.744 0.299) 3.823 11.167 ( -3.661 -1.597 -2.081) 4.503 11.523 ( -1.239 7.076 1.930) 7.438 11.553 ( 4.783 -4.377 -2.456) 6.933 11.732 ( 3.015 -3.982 -3.800) 6.275 11.977 ( -3.068 -4.255 1.914) 5.584 12.144 ( 0.944 2.047 -0.800) 2.392 12.239 ( 7.889 8.707 5.486) 12.967 12.368 ( -3.683 2.382 2.697) 5.149 12.585 ( 0.363 -0.367 -0.770) 0.927 12.698 ( -2.994 5.867 -6.428) 9.204 12.858 ( -2.276 5.769 -3.258) 7.005 13.325 ( -4.786 -1.560 1.830) 5.357 13.486 ( -2.529 -5.208 -4.003) 7.038 13.630 ( 2.410 -4.013 3.171) 5.654 13.814 ( 7.445 -5.217 2.152) 9.343 14.268 ( -9.999 -4.600 -3.650) 11.596 14.669 ( 0.739 8.892 5.757) 10.619 14.801 ( 3.404 -7.360 -4.469) 9.259 14.996 ( -0.588 -4.746 -2.941) 5.615 15.156 ( -1.642 -10.977 -2.468) 11.371 15.241 ( -5.347 -10.835 -3.844) 12.679 15.876 ( 4.683 3.912 10.374) 12.035 16.150 ( 1.033 3.257 1.834) 3.878 16.240 ( 2.981 -7.984 -1.032) 8.585 16.338 ( -8.657 -0.949 -8.144) 11.923 16.976 ( -0.719 -1.815 1.236) 2.311 17.111 ( 0.505 -2.556 -3.170) 4.103 17.256 ( -2.522 -7.075 0.605) 7.535 17.439 ( 2.619 0.147 1.405) 2.976 19.771 ( -0.491 -2.031 4.023) 4.533 19.808 ( -3.652 -9.499 1.341) 10.264 20.542 ( 1.242 15.513 -0.327) 15.566 20.796 ( 0.335 13.567 -0.969) 13.606 21.928 ( 1.828 -17.382 -1.378) 17.532 22.348 ( 0.399 -13.478 0.692) 13.501 22.816 ( 0.451 10.202 -0.754) 10.240 23.208 ( 1.038 7.195 0.114) 7.270 27.137 ( 0.824 -17.369 0.934) 17.414 27.215 ( -4.541 -18.281 -3.371) 19.136 28.701 ( -1.669 22.009 -0.517) 22.078 29.037 ( 5.052 17.833 3.791) 18.918 30.236 ( 1.362 -8.220 -0.723) 8.363 30.283 ( -1.874 -0.705 -2.399) 3.125 30.396 ( -3.636 -15.900 -3.561) 16.694 31.036 ( -2.607 -3.302 -0.822) 4.287 31.092 ( -0.104 -2.822 0.871) 2.955 31.386 ( 0.759 9.237 -0.488) 9.281 31.567 ( 3.187 12.394 0.173) 12.798 32.343 ( 3.621 -7.551 -0.463) 8.387 32.582 ( 2.569 -13.998 1.812) 14.347 32.895 ( -4.445 3.179 -1.438) 5.651 33.266 ( 4.951 30.442 10.644) 32.627 33.436 ( 0.264 7.797 -3.434) 8.524 34.764 ( -1.458 -0.006 -0.705) 1.620 34.867 ( -3.163 0.411 -1.449) 3.503 35.068 ( 1.258 -1.258 2.665) 3.204 35.141 ( 2.481 -1.901 1.179) 3.341 35.253 ( -1.106 0.067 -3.219) 3.405 35.504 ( 0.536 -0.521 2.434) 2.546 36.044 ( -7.894 -26.283 -6.558) 28.216 37.962 ( 6.162 17.926 4.038) 19.381 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -2.500 -2.434 0.276) 3.501 1.924 ( 1.711 -13.436 1.952) 13.684 1.969 ( -2.086 -5.654 -1.122) 6.130 2.217 ( 0.164 17.322 -3.667) 17.707 2.365 ( 0.712 9.485 -1.344) 9.607 2.498 ( -0.851 -8.956 7.022) 11.412 2.773 ( 0.117 -2.158 -4.044) 4.585 2.988 ( 0.905 2.169 -0.606) 2.427 3.223 ( 2.499 0.562 3.513) 4.348 3.267 ( 1.151 0.079 -0.100) 1.158 3.307 ( -4.934 0.824 0.621) 5.041 3.418 ( 0.278 -0.870 1.760) 1.983 3.488 ( 7.082 -1.434 5.970) 9.373 3.592 ( 2.997 -2.033 -0.276) 3.632 3.618 ( 5.577 -0.397 -2.659) 6.191 3.821 ( 1.887 -4.131 -2.993) 5.439 3.831 ( -0.463 2.358 -0.525) 2.460 4.073 ( -7.061 -1.121 0.327) 7.157 4.168 ( -4.804 -4.241 -4.026) 7.568 4.411 ( -1.011 -6.317 1.139) 6.498 4.645 ( -2.582 2.559 0.398) 3.657 4.813 ( 4.161 -1.042 2.903) 5.179 5.009 ( -1.101 -0.200 -3.767) 3.930 5.057 ( -0.680 5.366 -1.423) 5.593 5.351 ( -0.322 9.046 -2.107) 9.294 5.471 ( 2.555 -1.721 -1.192) 3.303 5.510 ( -4.368 9.022 0.301) 10.028 5.723 ( 0.258 -2.373 4.352) 4.964 5.748 ( 2.086 1.125 -2.018) 3.113 6.052 ( 8.742 -11.176 4.995) 15.042 7.392 ( -2.979 10.164 -2.795) 10.954 7.535 ( -6.885 6.610 -4.407) 10.513 7.768 ( 0.767 -1.388 1.488) 2.175 8.233 ( 8.558 -4.866 9.086) 13.397 8.600 ( -5.391 1.250 -2.619) 6.122 8.790 ( -0.863 -2.264 -0.862) 2.571 8.941 ( 1.929 5.627 3.163) 6.737 9.066 ( 2.742 5.421 -1.094) 6.173 9.162 ( -0.884 4.152 2.267) 4.812 9.214 ( -0.949 -1.559 -4.662) 5.007 9.694 ( -0.575 1.310 1.925) 2.398 9.764 ( -5.413 -2.616 -6.101) 8.566 9.896 ( 5.004 4.195 1.962) 6.818 10.024 ( 0.870 -0.596 1.882) 2.158 10.096 ( 0.702 5.111 -0.411) 5.175 10.635 ( 2.020 5.978 0.876) 6.371 10.958 ( -0.237 -1.129 0.221) 1.175 11.209 ( -1.377 -4.902 -0.358) 5.104 11.386 ( -1.064 6.248 -0.598) 6.366 11.672 ( 2.082 -4.854 0.799) 5.342 11.776 ( 2.461 0.628 -0.761) 2.651 11.971 ( -3.160 3.001 -0.591) 4.398 12.145 ( -0.118 -3.682 -1.648) 4.036 12.220 ( 4.938 2.583 4.869) 7.400 12.333 ( -0.403 2.450 2.963) 3.866 12.552 ( -0.965 -1.393 -4.620) 4.921 12.620 ( -0.052 3.966 2.666) 4.779 12.734 ( -1.583 3.873 -3.942) 5.749 13.380 ( 1.162 -5.664 4.082) 7.078 13.518 ( -6.605 -6.973 -7.247) 12.032 13.759 ( 1.852 -3.835 1.444) 4.497 13.860 ( 3.784 4.437 2.748) 6.446 14.355 ( -4.903 -7.572 2.066) 9.255 14.421 ( 0.910 14.345 -3.384) 14.767 14.934 ( 0.427 -5.654 -1.254) 5.807 15.083 ( 0.475 -6.668 -0.118) 6.686 15.251 ( -0.662 -0.761 -0.758) 1.262 15.385 ( -1.182 -9.187 -1.304) 9.354 15.923 ( 6.350 2.224 8.769) 11.053 16.082 ( 0.282 3.402 -0.469) 3.446 16.185 ( -8.437 1.431 -9.116) 12.503 16.527 ( 2.802 -14.410 2.663) 14.919 17.009 ( -0.855 -2.167 0.507) 2.384 17.146 ( 0.780 -2.175 -1.635) 2.831 17.325 ( -1.458 -1.288 1.062) 2.216 17.448 ( 1.007 -0.089 -0.153) 1.022 19.849 ( -0.438 -6.042 1.430) 6.224 20.001 ( -1.711 -13.545 0.524) 13.663 20.273 ( 0.650 15.242 -0.403) 15.261 20.561 ( 0.593 12.586 -0.483) 12.610 22.240 ( 1.126 -16.672 -0.077) 16.710 22.578 ( 0.184 -6.223 3.138) 6.972 22.632 ( -0.530 4.702 -3.242) 5.736 23.056 ( 0.457 10.689 -0.036) 10.699 27.485 ( -1.255 -19.690 -0.480) 19.736 27.516 ( -0.998 -21.008 -0.577) 21.039 28.270 ( -0.981 24.790 -0.711) 24.819 28.797 ( 4.608 14.929 3.408) 15.991 30.288 ( -1.506 -2.149 -1.005) 2.810 30.297 ( -0.839 -2.226 -1.165) 2.649 30.716 ( 0.473 -18.945 -1.146) 18.985 31.066 ( -1.872 -3.087 -1.610) 3.953 31.143 ( 0.260 -1.843 0.845) 2.044 31.214 ( -1.894 9.225 -0.759) 9.448 31.368 ( 1.655 11.869 0.195) 11.986 32.414 ( 3.328 5.366 0.165) 6.316 32.760 ( 0.978 4.280 0.355) 4.404 32.893 ( -1.134 -12.884 1.351) 13.004 32.916 ( 0.150 12.498 3.379) 12.947 33.266 ( 0.043 9.939 -1.991) 10.137 34.758 ( -0.674 -0.481 -0.261) 0.868 34.846 ( -1.245 -0.611 -0.658) 1.534 35.106 ( 1.147 -0.476 1.719) 2.121 35.190 ( 2.186 -0.960 0.335) 2.411 35.229 ( -1.848 -0.268 -1.724) 2.541 35.521 ( 0.432 0.208 0.979) 1.090 36.427 ( -3.948 -25.032 -2.715) 25.487 37.664 ( 3.025 20.524 1.881) 20.830 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 14.982 0.000) 14.982 1.818 ( 0.000 22.093 0.000) 22.093 2.091 ( -0.000 -8.949 -0.000) 8.949 2.199 ( 0.000 7.995 0.000) 7.995 2.293 ( -0.000 -14.828 -0.000) 14.828 2.688 ( -0.000 -8.458 -0.000) 8.458 2.760 ( 0.000 1.381 0.000) 1.381 2.865 ( 0.000 9.048 0.000) 9.048 3.192 ( 0.000 4.708 0.000) 4.708 3.210 ( 0.000 3.890 0.000) 3.890 3.304 ( -0.000 -0.021 -0.000) 0.021 3.419 ( 0.000 16.651 0.000) 16.651 3.454 ( -0.000 -0.029 -0.000) 0.029 3.540 ( 0.000 6.827 0.000) 6.827 3.653 ( -0.000 -3.489 -0.000) 3.489 3.804 ( -0.000 -0.495 -0.000) 0.495 3.870 ( -0.000 -0.452 -0.000) 0.452 4.120 ( -0.000 -8.131 -0.000) 8.131 4.199 ( -0.000 -2.401 -0.000) 2.401 4.452 ( 0.000 2.389 0.000) 2.389 4.608 ( -0.000 -1.318 -0.000) 1.318 4.914 ( -0.000 -3.440 -0.000) 3.440 4.975 ( 0.000 3.001 0.000) 3.001 5.077 ( -0.000 -12.234 -0.000) 12.234 5.236 ( 0.000 3.070 0.000) 3.070 5.369 ( 0.000 4.716 0.000) 4.716 5.506 ( -0.000 -0.669 -0.000) 0.669 5.697 ( 0.000 2.685 0.000) 2.685 5.807 ( -0.000 -2.641 -0.000) 2.641 6.267 ( -0.000 -6.449 -0.000) 6.449 7.231 ( 0.000 5.073 0.000) 5.073 7.398 ( 0.000 3.445 0.000) 3.445 7.822 ( -0.000 -3.577 -0.000) 3.577 8.337 ( 0.000 0.931 0.000) 0.931 8.583 ( -0.000 -2.674 -0.000) 2.674 8.816 ( -0.000 -0.400 -0.000) 0.400 8.854 ( 0.000 4.299 0.000) 4.299 8.976 ( 0.000 5.462 0.000) 5.462 9.102 ( 0.000 1.006 0.000) 1.006 9.223 ( 0.000 0.552 0.000) 0.552 9.717 ( -0.000 -4.519 -0.000) 4.519 9.793 ( 0.000 3.035 0.000) 3.035 9.797 ( -0.000 -1.399 -0.000) 1.399 10.013 ( 0.000 4.808 0.000) 4.808 10.127 ( -0.000 -6.760 -0.000) 6.760 10.526 ( 0.000 6.290 0.000) 6.290 10.978 ( -0.000 -1.236 -0.000) 1.236 11.280 ( -0.000 -3.364 -0.000) 3.364 11.313 ( 0.000 0.890 0.000) 0.890 11.687 ( 0.000 3.845 0.000) 3.845 11.792 ( -0.000 -1.376 -0.000) 1.376 11.861 ( 0.000 6.736 0.000) 6.736 12.219 ( -0.000 -4.596 -0.000) 4.596 12.265 ( -0.000 -3.541 -0.000) 3.541 12.295 ( 0.000 3.725 0.000) 3.725 12.495 ( 0.000 8.382 0.000) 8.382 12.632 ( -0.000 -7.727 -0.000) 7.727 12.701 ( -0.000 -2.478 -0.000) 2.478 13.503 ( -0.000 -0.104 -0.000) 0.104 13.604 ( -0.000 -11.206 -0.000) 11.206 13.738 ( 0.000 5.261 0.000) 5.261 13.837 ( 0.000 2.023 0.000) 2.023 14.131 ( 0.000 12.100 0.000) 12.100 14.476 ( -0.000 -2.984 -0.000) 2.984 14.974 ( 0.000 1.953 0.000) 1.953 15.229 ( -0.000 -9.393 -0.000) 9.393 15.261 ( -0.000 -3.819 -0.000) 3.819 15.501 ( -0.000 -4.039 -0.000) 4.039 15.869 ( 0.000 9.801 0.000) 9.801 16.004 ( 0.000 6.383 0.000) 6.383 16.145 ( -0.000 -4.293 -0.000) 4.293 16.791 ( -0.000 -12.373 -0.000) 12.373 17.045 ( -0.000 -1.989 -0.000) 1.989 17.175 ( -0.000 -0.969 -0.000) 0.969 17.288 ( 0.000 4.182 0.000) 4.182 17.472 ( -0.000 -1.710 -0.000) 1.710 20.004 ( -0.000 -11.125 -0.000) 11.125 20.015 ( 0.000 13.665 0.000) 13.665 20.256 ( -0.000 -15.475 -0.000) 15.475 20.354 ( 0.000 11.165 0.000) 11.165 22.389 ( 0.000 13.870 0.000) 13.870 22.525 ( -0.000 -14.609 -0.000) 14.609 22.817 ( -0.000 -12.117 -0.000) 12.117 22.840 ( 0.000 13.655 0.000) 13.655 27.820 ( 0.000 24.552 0.000) 24.552 27.823 ( -0.000 -20.045 -0.000) 20.045 27.912 ( -0.000 -22.947 -0.000) 22.947 28.612 ( 0.000 9.840 0.000) 9.840 30.285 ( 0.000 1.508 0.000) 1.508 30.340 ( -0.000 -2.678 -0.000) 2.678 30.941 ( -0.000 -1.316 -0.000) 1.316 31.021 ( 0.000 11.153 0.000) 11.153 31.120 ( -0.000 -4.972 -0.000) 4.972 31.171 ( -0.000 -1.176 -0.000) 1.176 31.246 ( -0.000 -1.845 -0.000) 1.845 32.193 ( 0.000 16.503 0.000) 16.503 32.648 ( 0.000 7.777 0.000) 7.777 32.875 ( -0.000 -4.055 -0.000) 4.055 33.061 ( 0.000 12.318 0.000) 12.318 33.152 ( -0.000 -13.832 -0.000) 13.832 34.767 ( -0.000 -0.879 -0.000) 0.879 34.857 ( -0.000 -1.188 -0.000) 1.188 35.117 ( 0.000 0.418 0.000) 0.418 35.214 ( -0.000 -0.478 -0.000) 0.478 35.220 ( -0.000 -0.595 -0.000) 0.595 35.513 ( 0.000 1.159 0.000) 1.159 36.828 ( -0.000 -21.682 -0.000) 21.682 37.335 ( 0.000 17.251 0.000) 17.251 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.757 0.000 2.467) 11.037 1.554 ( 16.387 0.000 5.826) 17.392 2.077 ( 7.574 0.000 -8.238) 11.191 2.204 ( 0.950 0.000 -2.686) 2.849 2.315 ( 4.754 0.000 0.532) 4.784 2.416 ( -3.777 -0.000 4.814) 6.119 2.735 ( 7.020 0.000 10.947) 13.005 2.782 ( 3.863 0.000 1.457) 4.129 2.931 ( -0.182 -0.000 -1.820) 1.829 3.089 ( -4.496 -0.000 -3.971) 5.998 3.380 ( -6.513 -0.000 9.426) 11.457 3.413 ( 0.155 0.000 4.711) 4.713 3.531 ( 3.944 0.000 5.584) 6.837 3.555 ( -1.814 -0.000 -4.583) 4.929 3.652 ( 0.557 0.000 4.990) 5.021 3.718 ( -2.436 -0.000 -8.081) 8.440 3.767 ( -9.167 -0.000 -2.938) 9.626 4.076 ( -3.532 -0.000 -5.153) 6.247 4.105 ( 3.837 0.000 -8.971) 9.757 4.131 ( -5.384 -0.000 1.279) 5.533 4.796 ( 10.113 0.000 -1.023) 10.165 4.968 ( 7.785 0.000 3.210) 8.421 5.137 ( 2.777 0.000 1.751) 3.283 5.284 ( 2.938 0.000 1.413) 3.260 5.393 ( 4.200 0.000 0.419) 4.221 5.442 ( -2.510 -0.000 4.449) 5.108 5.459 ( -1.223 -0.000 -2.645) 2.914 5.629 ( 2.540 0.000 -5.096) 5.694 5.867 ( -0.973 -0.000 -0.057) 0.975 6.096 ( -1.580 -0.000 -2.185) 2.696 7.687 ( 6.145 0.000 5.232) 8.071 7.834 ( 2.493 0.000 0.239) 2.504 7.875 ( 5.456 0.000 10.768) 12.071 7.952 ( -3.819 -0.000 -1.547) 4.121 8.800 ( -7.954 -0.000 -4.894) 9.339 8.913 ( 2.122 0.000 -0.077) 2.123 9.059 ( -0.719 -0.000 -5.290) 5.339 9.090 ( 0.904 0.000 4.292) 4.386 9.203 ( -5.993 -0.000 -5.917) 8.422 9.414 ( 4.597 0.000 4.404) 6.366 9.609 ( 3.014 0.000 -3.596) 4.692 9.691 ( 0.484 0.000 6.813) 6.830 9.878 ( -1.612 -0.000 -1.551) 2.237 10.032 ( 4.465 0.000 7.941) 9.110 10.593 ( 3.668 0.000 -0.490) 3.700 10.792 ( -0.658 -0.000 -1.073) 1.259 10.837 ( -0.877 -0.000 1.251) 1.528 11.175 ( -4.842 -0.000 -5.076) 7.015 11.492 ( 7.618 0.000 -0.681) 7.648 11.608 ( -0.461 -0.000 -4.294) 4.319 11.732 ( 2.114 0.000 -0.958) 2.321 11.793 ( -5.657 -0.000 1.902) 5.968 12.226 ( -1.093 -0.000 -5.869) 5.970 12.435 ( -2.951 -0.000 6.690) 7.312 12.454 ( 8.956 0.000 -0.298) 8.961 12.563 ( -9.073 -0.000 -3.136) 9.599 13.005 ( 1.090 0.000 1.064) 1.523 13.019 ( -0.572 -0.000 -8.563) 8.583 13.287 ( -1.707 -0.000 3.999) 4.348 13.421 ( 5.208 0.000 7.932) 9.489 13.482 ( -1.670 -0.000 -2.041) 2.637 13.608 ( 1.063 0.000 -1.540) 1.871 14.319 ( -12.243 -0.000 -9.778) 15.669 14.464 ( -0.200 -0.000 -1.663) 1.675 14.497 ( -1.510 -0.000 0.314) 1.542 14.898 ( -0.717 -0.000 2.760) 2.852 14.902 ( -2.993 -0.000 -6.324) 6.997 15.137 ( -0.141 -0.000 -1.793) 1.798 15.824 ( 3.635 0.000 13.396) 13.881 16.228 ( -0.790 -0.000 5.077) 5.138 16.308 ( -2.345 -0.000 -7.214) 7.585 16.330 ( 2.253 0.000 -5.172) 5.641 16.932 ( -0.423 -0.000 0.671) 0.794 17.013 ( -1.433 -0.000 -0.026) 1.433 17.052 ( -0.370 -0.000 -3.105) 3.127 17.434 ( 4.179 0.000 2.356) 4.798 19.624 ( -4.958 -0.000 1.168) 5.093 19.780 ( 1.702 0.000 6.275) 6.502 21.009 ( 1.539 0.000 0.198) 1.551 21.059 ( -0.539 -0.000 -0.411) 0.678 21.490 ( 2.180 0.000 -2.720) 3.486 22.012 ( 1.223 0.000 0.764) 1.443 23.065 ( -0.025 -0.000 -0.905) 0.905 23.335 ( 0.997 0.000 0.228) 1.023 26.799 ( 0.296 0.000 -0.534) 0.611 26.806 ( 0.313 0.000 -0.419) 0.523 29.337 ( -2.184 -0.000 0.203) 2.193 29.381 ( 2.384 0.000 1.951) 3.080 29.700 ( -0.256 -0.000 -2.422) 2.436 30.257 ( -1.149 -0.000 -1.382) 1.798 30.285 ( -2.888 -0.000 -3.592) 4.609 30.964 ( -2.071 -0.000 -0.341) 2.099 31.024 ( -0.866 -0.000 -0.146) 0.879 31.651 ( 2.664 0.000 -1.282) 2.957 31.950 ( 0.014 0.000 0.321) 0.322 32.015 ( 4.605 0.000 1.836) 4.957 32.218 ( 2.903 0.000 0.753) 2.999 32.956 ( -5.083 -0.000 -1.134) 5.208 33.572 ( -1.032 -0.000 -1.446) 1.776 34.281 ( -2.548 -0.000 5.248) 5.834 34.768 ( -0.030 -0.000 -3.689) 3.689 34.880 ( -4.646 -0.000 -1.782) 4.976 35.023 ( 2.477 0.000 1.227) 2.764 35.107 ( 0.763 0.000 2.505) 2.618 35.214 ( -3.324 -0.000 -2.507) 4.164 35.263 ( -1.713 -0.000 -2.535) 3.060 35.496 ( 2.190 0.000 0.656) 2.286 38.320 ( 7.477 0.000 5.267) 9.146 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 5.128 -5.648 1.747) 7.826 1.617 ( 3.904 3.596 1.391) 5.487 2.093 ( 3.065 0.993 -3.148) 4.504 2.277 ( 2.569 -9.288 -2.943) 10.076 2.321 ( -0.541 -1.256 2.990) 3.288 2.543 ( 0.034 -9.358 0.711) 9.385 2.773 ( 3.940 5.360 4.517) 8.041 2.848 ( 5.196 1.091 7.300) 9.027 3.027 ( -3.964 -5.964 -3.729) 8.074 3.057 ( 1.312 -11.593 -6.001) 13.120 3.370 ( -3.074 0.919 0.421) 3.236 3.389 ( -0.663 4.088 3.051) 5.144 3.492 ( -4.784 1.984 4.779) 7.047 3.528 ( 0.859 4.685 1.754) 5.076 3.650 ( 0.247 0.559 -4.891) 4.929 3.695 ( -0.602 -1.389 0.990) 1.808 3.769 ( -1.696 -5.477 -2.497) 6.254 4.051 ( -3.506 -0.817 0.027) 3.600 4.112 ( 1.808 -1.777 -4.992) 5.599 4.154 ( -1.318 -5.081 0.403) 5.265 4.835 ( 5.386 2.631 -0.517) 6.016 4.944 ( 3.007 7.388 1.625) 8.140 5.106 ( 1.862 4.539 0.203) 4.910 5.281 ( -2.778 5.163 -1.679) 6.099 5.388 ( 0.973 -0.998 -0.042) 1.394 5.477 ( 1.745 -5.687 1.939) 6.257 5.583 ( 4.081 -6.398 4.813) 8.987 5.664 ( 0.816 -5.720 -3.702) 6.862 5.789 ( 0.041 7.662 -0.545) 7.682 6.006 ( -1.210 7.639 -0.932) 7.790 7.739 ( 4.658 2.964 1.321) 5.677 7.774 ( -0.962 5.438 0.756) 5.574 7.859 ( -2.670 6.339 -1.639) 7.071 8.024 ( 5.235 -4.652 8.036) 10.659 8.693 ( -6.685 1.429 -3.847) 7.844 8.850 ( 0.209 7.659 -0.243) 7.666 9.018 ( -0.795 -1.766 -1.028) 2.193 9.122 ( -0.179 -0.318 0.466) 0.592 9.155 ( -2.350 -0.797 -4.251) 4.922 9.412 ( 1.639 5.283 2.849) 6.222 9.633 ( -0.324 -1.160 -1.770) 2.141 9.763 ( 2.776 -1.999 6.422) 7.276 9.850 ( -0.636 0.062 -3.946) 3.998 10.116 ( 3.849 -0.742 5.281) 6.577 10.490 ( 2.092 12.262 -1.007) 12.480 10.815 ( 1.168 2.722 1.171) 3.185 10.834 ( -0.605 -4.562 0.212) 4.607 11.118 ( -2.793 0.168 -2.600) 3.819 11.537 ( 4.633 -0.415 -0.974) 4.753 11.630 ( -0.320 0.692 0.697) 1.033 11.657 ( 0.212 0.675 -2.564) 2.660 11.859 ( -3.206 -6.983 0.471) 7.699 12.184 ( 1.678 2.597 -2.875) 4.222 12.397 ( -1.646 1.941 2.235) 3.387 12.457 ( -0.856 3.996 0.849) 4.174 12.541 ( 1.716 -2.337 1.611) 3.317 12.783 ( -3.312 12.627 -5.949) 14.346 12.964 ( -0.571 7.562 -0.378) 7.593 13.275 ( -1.783 0.498 0.248) 1.868 13.447 ( 0.874 0.052 1.332) 1.593 13.603 ( 0.476 -1.352 -0.443) 1.500 13.708 ( 5.593 -14.436 5.209) 16.335 14.148 ( -8.821 2.915 -7.163) 11.731 14.526 ( -0.616 -11.706 -0.374) 11.728 14.766 ( 2.115 -19.941 -1.456) 20.106 14.878 ( -1.023 -0.771 0.950) 1.595 14.956 ( -2.858 -3.991 -2.812) 5.657 15.089 ( -0.508 1.237 -0.319) 1.375 15.981 ( 3.771 -4.855 11.921) 13.412 16.176 ( 0.560 3.273 -3.374) 4.734 16.240 ( 0.069 3.707 -2.177) 4.300 16.270 ( -3.242 3.196 -3.803) 5.932 16.943 ( -0.597 -1.209 0.123) 1.354 17.060 ( 0.127 -2.349 -0.852) 2.502 17.096 ( -0.856 -8.340 -0.396) 8.393 17.468 ( 1.938 0.138 1.084) 2.225 19.646 ( -2.567 -5.290 0.623) 5.913 19.803 ( 0.640 1.212 3.098) 3.388 20.819 ( 0.631 14.676 -0.049) 14.689 21.009 ( 0.013 9.304 -0.375) 9.312 21.638 ( 1.010 -14.464 -1.037) 14.536 22.132 ( 0.537 -10.821 0.360) 10.840 22.984 ( 0.210 7.840 -0.373) 7.851 23.311 ( 0.615 3.554 0.154) 3.610 26.892 ( 0.317 -10.372 0.038) 10.377 26.914 ( -0.741 -11.383 -0.781) 11.434 29.056 ( -1.337 19.720 -0.293) 19.768 29.339 ( 2.009 10.404 1.525) 10.705 29.937 ( 0.306 -20.601 -1.170) 20.636 30.248 ( -1.712 -0.460 -1.170) 2.124 30.254 ( -1.100 -0.477 -1.661) 2.048 30.969 ( -1.212 -2.008 -0.400) 2.379 31.043 ( -0.311 -2.619 0.392) 2.666 31.563 ( 1.092 9.062 -0.305) 9.132 31.795 ( 1.353 11.179 0.077) 11.261 32.197 ( 1.500 -9.999 0.571) 10.127 32.364 ( 1.739 -12.012 0.550) 12.149 32.903 ( -2.987 1.738 -0.785) 3.544 33.523 ( -0.486 4.080 -0.799) 4.186 33.922 ( 1.454 31.944 3.234) 32.140 34.751 ( -0.824 0.033 -0.678) 1.068 34.842 ( -2.375 0.131 -1.141) 2.638 35.068 ( 1.258 -1.223 1.668) 2.421 35.136 ( 2.144 -1.494 1.591) 3.060 35.233 ( -1.051 0.297 -2.120) 2.384 35.468 ( -4.787 -17.495 0.888) 18.160 35.535 ( 1.328 -8.921 -3.266) 9.593 38.286 ( 3.811 11.106 2.644) 12.035 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 -9.239 -0.000) 9.239 1.649 ( -0.000 -9.080 -0.000) 9.080 2.029 ( 0.000 5.611 0.000) 5.611 2.379 ( -0.000 -5.393 -0.000) 5.393 2.452 ( -0.000 -1.934 -0.000) 1.934 2.517 ( 0.000 10.960 0.000) 10.960 2.738 ( 0.000 3.242 0.000) 3.242 2.913 ( -0.000 -9.780 -0.000) 9.780 3.155 ( -0.000 -9.771 -0.000) 9.771 3.300 ( 0.000 3.799 0.000) 3.799 3.330 ( 0.000 3.894 0.000) 3.894 3.372 ( -0.000 -17.314 -0.000) 17.314 3.446 ( 0.000 0.855 0.000) 0.855 3.494 ( -0.000 -1.146 -0.000) 1.146 3.635 ( 0.000 0.513 0.000) 0.513 3.730 ( -0.000 -3.199 -0.000) 3.199 3.833 ( -0.000 -2.217 -0.000) 2.217 4.067 ( -0.000 -2.679 -0.000) 2.679 4.101 ( 0.000 2.411 0.000) 2.411 4.272 ( -0.000 -8.011 -0.000) 8.011 4.741 ( 0.000 8.275 0.000) 8.275 4.865 ( 0.000 3.061 0.000) 3.061 5.034 ( 0.000 3.881 0.000) 3.881 5.147 ( 0.000 6.182 0.000) 6.182 5.437 ( -0.000 -2.705 -0.000) 2.705 5.546 ( 0.000 10.806 0.000) 10.806 5.623 ( -0.000 -7.794 -0.000) 7.794 5.651 ( 0.000 6.597 0.000) 6.597 5.838 ( 0.000 8.321 0.000) 8.321 5.875 ( -0.000 -13.204 -0.000) 13.204 7.583 ( 0.000 11.634 0.000) 11.634 7.662 ( 0.000 11.132 0.000) 11.132 7.764 ( 0.000 0.272 0.000) 0.272 8.188 ( -0.000 -7.201 -0.000) 7.201 8.612 ( 0.000 3.524 0.000) 3.524 8.759 ( 0.000 0.870 0.000) 0.870 9.060 ( 0.000 5.006 0.000) 5.006 9.090 ( -0.000 -4.333 -0.000) 4.333 9.150 ( 0.000 0.173 0.000) 0.173 9.298 ( 0.000 8.260 0.000) 8.260 9.639 ( -0.000 -1.864 -0.000) 1.864 9.797 ( 0.000 3.282 0.000) 3.282 9.865 ( -0.000 -4.504 -0.000) 4.504 10.146 ( 0.000 1.307 0.000) 1.307 10.235 ( 0.000 15.217 0.000) 15.217 10.752 ( 0.000 5.327 0.000) 5.327 10.917 ( -0.000 -3.712 -0.000) 3.712 11.123 ( -0.000 -3.218 -0.000) 3.218 11.510 ( 0.000 7.723 0.000) 7.723 11.593 ( -0.000 -4.233 -0.000) 4.233 11.740 ( -0.000 -4.967 -0.000) 4.967 11.952 ( -0.000 -3.529 -0.000) 3.529 12.128 ( 0.000 2.210 0.000) 2.210 12.348 ( 0.000 6.049 0.000) 6.049 12.403 ( 0.000 2.758 0.000) 2.758 12.547 ( 0.000 5.516 0.000) 5.516 12.630 ( -0.000 -3.370 -0.000) 3.370 12.814 ( 0.000 7.531 0.000) 7.531 13.292 ( -0.000 -4.314 -0.000) 4.314 13.426 ( 0.000 1.113 0.000) 1.113 13.680 ( -0.000 -5.833 -0.000) 5.833 13.992 ( 0.000 6.063 0.000) 6.063 14.061 ( -0.000 -17.234 -0.000) 17.234 14.736 ( 0.000 15.609 0.000) 15.609 14.764 ( -0.000 -12.816 -0.000) 12.816 14.985 ( -0.000 -4.662 -0.000) 4.662 15.117 ( -0.000 -14.587 -0.000) 14.587 15.191 ( -0.000 -10.207 -0.000) 10.207 16.052 ( 0.000 4.318 0.000) 4.318 16.116 ( 0.000 1.464 0.000) 1.464 16.165 ( 0.000 4.552 0.000) 4.552 16.297 ( -0.000 -11.868 -0.000) 11.868 16.969 ( -0.000 -2.021 -0.000) 2.021 17.104 ( -0.000 -2.466 -0.000) 2.466 17.240 ( -0.000 -7.330 -0.000) 7.330 17.467 ( 0.000 0.994 0.000) 0.994 19.772 ( -0.000 -8.104 -0.000) 8.104 19.807 ( -0.000 -2.673 -0.000) 2.673 20.550 ( 0.000 15.608 0.000) 15.608 20.794 ( 0.000 13.365 0.000) 13.365 21.934 ( -0.000 -17.687 -0.000) 17.687 22.357 ( -0.000 -13.358 -0.000) 13.358 22.815 ( 0.000 10.659 0.000) 10.659 23.218 ( 0.000 7.272 0.000) 7.272 27.149 ( -0.000 -17.446 -0.000) 17.446 27.164 ( -0.000 -17.235 -0.000) 17.235 28.681 ( 0.000 22.001 0.000) 22.001 29.104 ( 0.000 16.198 0.000) 16.198 30.249 ( -0.000 -1.214 -0.000) 1.214 30.260 ( -0.000 -1.287 -0.000) 1.287 30.330 ( -0.000 -22.739 -0.000) 22.739 31.005 ( -0.000 -2.606 -0.000) 2.606 31.100 ( -0.000 -3.222 -0.000) 3.222 31.388 ( 0.000 10.437 0.000) 10.437 31.594 ( 0.000 12.176 0.000) 12.176 32.368 ( -0.000 -7.925 -0.000) 7.925 32.621 ( -0.000 -15.117 -0.000) 15.117 32.843 ( 0.000 3.488 0.000) 3.488 33.363 ( 0.000 31.080 0.000) 31.080 33.416 ( 0.000 7.375 0.000) 7.375 34.748 ( -0.000 -0.215 -0.000) 0.215 34.831 ( -0.000 -0.255 -0.000) 0.255 35.100 ( -0.000 -1.224 -0.000) 1.224 35.181 ( -0.000 -1.598 -0.000) 1.598 35.214 ( 0.000 0.309 0.000) 0.309 35.523 ( -0.000 -0.504 -0.000) 0.504 35.942 ( -0.000 -26.683 -0.000) 26.683 38.036 ( 0.000 18.585 0.000) 18.585 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 -0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 -0.000) 0.000 3.605 ( 0.000 0.000 -0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 -0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.085 ( -0.000 -0.000 0.000) 0.000 4.105 ( 0.000 0.000 -0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.378 ( -0.000 -0.000 -0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.890 ( -0.000 -0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 9.818 ( -0.000 -0.000 -0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.581 ( -0.000 -0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 -0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.414 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.301 ( 0.000 0.000 0.000) 0.000 13.455 ( 0.000 0.000 -0.000) 0.000 13.564 ( 0.000 0.000 0.000) 0.000 13.594 ( -0.000 -0.000 -0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.845 ( 0.000 0.000 0.000) 0.000 14.909 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 16.254 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 19.590 ( 0.000 0.000 0.000) 0.000 19.831 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 21.052 ( 0.000 0.000 0.000) 0.000 21.492 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 23.059 ( 0.000 0.000 0.000) 0.000 23.345 ( 0.000 0.000 0.000) 0.000 26.798 ( 0.000 0.000 0.000) 0.000 26.806 ( 0.000 0.000 0.000) 0.000 29.313 ( 0.000 0.000 0.000) 0.000 29.412 ( 0.000 0.000 0.000) 0.000 29.691 ( 0.000 0.000 0.000) 0.000 30.239 ( 0.000 0.000 0.000) 0.000 30.240 ( 0.000 0.000 0.000) 0.000 30.945 ( 0.000 0.000 0.000) 0.000 31.016 ( 0.000 0.000 0.000) 0.000 31.663 ( 0.000 0.000 0.000) 0.000 31.952 ( 0.000 0.000 0.000) 0.000 32.062 ( 0.000 0.000 0.000) 0.000 32.249 ( 0.000 0.000 0.000) 0.000 32.905 ( 0.000 0.000 0.000) 0.000 33.555 ( 0.000 0.000 0.000) 0.000 34.292 ( 0.000 0.000 -0.000) 0.000 34.746 ( -0.000 -0.000 0.000) 0.000 34.829 ( 0.000 0.000 0.000) 0.000 35.067 ( 0.000 0.000 0.000) 0.000 35.136 ( 0.000 0.000 0.000) 0.000 35.159 ( 0.000 0.000 0.000) 0.000 35.226 ( 0.000 0.000 0.000) 0.000 35.517 ( 0.000 0.000 0.000) 0.000 38.411 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 18.621 0.000 20.556) 27.735 0.476 ( -1.012 -0.000 22.342) 22.365 0.895 ( 6.043 0.000 38.646) 39.116 1.918 ( -0.730 -0.000 7.044) 7.082 1.923 ( -0.893 -0.000 -8.661) 8.706 2.385 ( 9.330 0.000 -0.733) 9.359 2.739 ( -2.907 -0.000 -2.587) 3.891 2.740 ( -2.796 -0.000 -1.212) 3.047 2.968 ( 8.293 0.000 0.107) 8.293 3.064 ( 3.229 0.000 -3.582) 4.822 3.075 ( -0.339 -0.000 -2.487) 2.510 3.298 ( 1.426 0.000 3.994) 4.241 3.435 ( 0.110 0.000 5.949) 5.950 3.793 ( -8.531 -0.000 -0.356) 8.538 3.813 ( 2.501 0.000 -2.193) 3.327 3.880 ( 5.603 0.000 -7.788) 9.595 4.043 ( -23.172 -0.000 -0.917) 23.191 4.292 ( -2.477 -0.000 7.399) 7.803 4.296 ( -2.863 -0.000 -0.671) 2.940 4.413 ( -8.259 -0.000 -0.905) 8.309 4.585 ( 1.851 0.000 0.482) 1.913 4.892 ( 2.510 0.000 -1.377) 2.863 4.899 ( -6.926 -0.000 -0.188) 6.928 5.118 ( -11.622 -0.000 -8.054) 14.140 5.299 ( -1.259 -0.000 4.763) 4.927 5.439 ( 6.621 0.000 1.052) 6.704 5.525 ( 2.020 0.000 -4.124) 4.592 5.707 ( -1.565 -0.000 -10.260) 10.379 6.069 ( -3.463 -0.000 -0.802) 3.554 6.273 ( -2.351 -0.000 -3.802) 4.470 7.455 ( 5.684 0.000 16.637) 17.581 7.748 ( -12.235 -0.000 1.333) 12.307 7.894 ( -2.331 -0.000 -1.891) 3.002 7.992 ( 1.332 0.000 -2.077) 2.467 8.639 ( 7.378 0.000 5.105) 8.972 8.713 ( -0.096 -0.000 -0.555) 0.563 8.946 ( 6.129 0.000 3.759) 7.190 9.026 ( -4.540 -0.000 2.619) 5.241 9.093 ( 1.080 0.000 -2.332) 2.570 9.273 ( -5.832 -0.000 -7.021) 9.127 9.615 ( 0.034 0.000 -3.828) 3.828 9.642 ( 4.422 0.000 2.438) 5.050 10.197 ( -0.785 -0.000 0.006) 0.785 10.203 ( 9.370 0.000 0.926) 9.416 10.522 ( -1.661 -0.000 4.379) 4.684 10.788 ( -2.329 -0.000 -11.448) 11.682 10.985 ( -7.278 -0.000 -8.022) 10.831 11.222 ( 3.244 0.000 0.981) 3.389 11.335 ( -2.413 -0.000 -1.027) 2.622 11.577 ( -0.314 -0.000 -8.906) 8.912 11.705 ( -2.915 -0.000 5.756) 6.452 11.812 ( 0.091 0.000 8.837) 8.837 11.952 ( 3.977 0.000 9.684) 10.469 12.329 ( 4.377 0.000 -2.624) 5.104 12.486 ( 2.140 0.000 3.034) 3.713 12.642 ( -5.767 -0.000 -0.509) 5.789 13.031 ( 0.460 0.000 -7.738) 7.751 13.072 ( -2.567 -0.000 -4.650) 5.311 13.373 ( 0.865 0.000 -5.553) 5.620 13.533 ( -5.293 -0.000 1.966) 5.646 13.590 ( -0.348 -0.000 1.151) 1.203 13.619 ( 0.886 0.000 -1.428) 1.680 14.435 ( 30.800 0.000 5.122) 31.223 14.442 ( -0.559 -0.000 -0.639) 0.849 14.577 ( 12.937 0.000 -0.701) 12.956 14.863 ( -5.688 -0.000 -0.251) 5.694 14.959 ( 6.787 0.000 1.014) 6.862 15.178 ( 0.514 0.000 -5.672) 5.695 15.663 ( 28.223 0.000 9.403) 29.748 16.033 ( -11.379 -0.000 1.545) 11.484 16.277 ( 2.976 0.000 0.924) 3.116 16.434 ( -1.264 -0.000 -3.772) 3.979 16.974 ( -2.856 -0.000 -0.664) 2.933 17.010 ( 2.589 0.000 -5.139) 5.754 17.076 ( 5.701 0.000 3.511) 6.696 17.266 ( -7.321 -0.000 3.188) 7.985 19.560 ( 4.078 0.000 5.782) 7.076 19.827 ( -2.083 -0.000 1.386) 2.502 20.938 ( -0.244 -0.000 0.704) 0.745 21.135 ( -2.255 -0.000 -1.249) 2.578 21.488 ( -13.169 -0.000 2.341) 13.376 21.902 ( 2.899 0.000 -2.164) 3.618 23.089 ( -2.186 -0.000 0.300) 2.207 23.289 ( 1.087 0.000 -2.152) 2.411 26.797 ( -0.253 -0.000 -0.467) 0.531 26.800 ( -0.212 -0.000 -0.647) 0.681 29.253 ( -0.599 -0.000 1.834) 1.929 29.305 ( 0.173 0.000 0.765) 0.785 29.981 ( -8.588 -0.000 7.498) 11.400 30.331 ( 0.434 0.000 -1.813) 1.865 30.447 ( 114.438 0.000 3.049) 114.478 30.494 ( -2.386 -0.000 -2.114) 3.188 31.089 ( -0.800 -0.000 -0.998) 1.279 31.115 ( -3.296 -0.000 -0.007) 3.296 31.732 ( 2.237 0.000 1.415) 2.647 31.948 ( 7.653 0.000 -1.059) 7.725 32.004 ( 23.977 0.000 1.613) 24.031 32.105 ( 1.074 0.000 0.192) 1.091 33.135 ( 0.790 0.000 -2.017) 2.166 33.599 ( 2.100 0.000 -6.617) 6.942 34.916 ( -0.681 -0.000 3.258) 3.329 34.967 ( -0.758 -0.000 2.885) 2.983 35.255 ( 2.441 0.000 0.683) 2.535 35.283 ( -5.301 -0.000 0.914) 5.379 35.367 ( -3.484 -0.000 0.704) 3.555 35.385 ( 0.626 0.000 -3.137) 3.199 37.610 ( -90.352 -0.000 -0.366) 90.353 37.724 ( 12.450 0.000 -4.188) 13.136 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 7.786 -16.657 16.008) 24.379 0.990 ( 10.974 -26.763 14.337) 32.283 1.350 ( 22.263 -16.634 21.246) 34.982 1.926 ( -1.118 -5.431 -7.767) 9.543 2.059 ( 8.374 -11.148 -2.109) 14.101 2.442 ( 6.561 1.799 1.396) 6.944 2.631 ( -0.009 2.435 1.493) 2.856 2.760 ( -1.380 -0.486 -1.611) 2.176 3.034 ( 0.122 -0.595 -1.827) 1.925 3.078 ( 5.420 -1.653 1.218) 5.795 3.091 ( 5.708 0.069 -4.719) 7.407 3.284 ( 3.371 4.746 1.799) 6.093 3.447 ( -0.572 1.327 4.512) 4.738 3.678 ( -9.284 6.049 8.180) 13.773 3.749 ( -2.014 2.818 -7.591) 8.344 3.889 ( -3.790 -1.824 -4.317) 6.027 3.988 ( 0.531 -1.649 1.486) 2.283 4.204 ( -4.541 2.539 -3.243) 6.131 4.335 ( -4.623 2.658 -2.429) 5.860 4.368 ( 2.734 -1.878 5.148) 6.124 4.703 ( -1.701 -7.982 1.221) 8.252 4.843 ( -15.255 -1.616 -1.189) 15.387 4.929 ( 3.361 -3.584 -0.610) 4.951 5.059 ( 6.803 -4.091 -2.498) 8.322 5.334 ( -1.342 -0.963 3.560) 3.925 5.422 ( 0.840 4.659 -0.085) 4.734 5.531 ( 2.110 -0.146 -2.071) 2.960 5.624 ( -1.353 1.287 -8.216) 8.425 5.988 ( -4.731 4.657 -1.813) 6.881 6.168 ( -3.696 5.602 -4.854) 8.283 7.492 ( -1.668 7.160 12.017) 14.088 7.670 ( 4.339 -0.011 12.040) 12.798 7.859 ( -3.366 0.120 -1.990) 3.912 8.024 ( -1.040 -2.377 -2.352) 3.502 8.689 ( 8.201 1.475 3.618) 9.084 8.796 ( 3.210 -3.938 1.709) 5.360 8.973 ( -0.616 3.088 4.989) 5.900 9.003 ( 4.339 3.338 1.100) 5.584 9.124 ( 4.520 -2.194 -0.591) 5.059 9.206 ( -0.953 0.051 -6.599) 6.668 9.649 ( 0.667 -4.467 -4.376) 6.289 9.708 ( 5.790 -1.817 0.676) 6.106 10.050 ( -7.256 10.889 1.676) 13.192 10.150 ( -3.949 3.099 -0.185) 5.023 10.440 ( -2.150 9.100 2.487) 9.676 10.674 ( 5.170 7.670 -6.158) 11.112 10.966 ( -7.092 -5.339 -4.872) 10.126 11.256 ( 3.035 0.092 -0.916) 3.171 11.347 ( 1.524 -2.628 -1.779) 3.520 11.513 ( 2.051 0.196 -9.347) 9.571 11.685 ( -3.154 2.449 4.739) 6.197 11.909 ( 0.146 -4.331 8.106) 9.192 11.964 ( 4.105 6.653 11.063) 13.546 12.319 ( 1.391 2.527 -3.707) 4.697 12.505 ( 3.015 1.931 3.295) 4.866 12.577 ( -1.919 2.514 2.034) 3.761 12.906 ( 0.869 6.191 -9.713) 11.551 12.988 ( -0.624 4.328 -4.820) 6.508 13.314 ( 0.547 -0.390 1.771) 1.894 13.511 ( -3.251 -2.073 3.643) 5.304 13.582 ( -2.328 -3.522 -3.870) 5.727 13.727 ( -3.504 -4.821 -1.205) 6.081 14.361 ( 14.994 6.971 4.738) 17.200 14.436 ( 1.343 3.448 2.837) 4.663 14.691 ( 0.452 -5.254 3.962) 6.596 14.993 ( -3.596 -11.374 -2.598) 12.208 15.163 ( -1.508 -6.093 -5.136) 8.110 15.339 ( -2.059 -14.775 -10.221) 18.083 15.801 ( 8.158 6.910 4.250) 11.505 15.951 ( -4.321 1.090 3.326) 5.561 16.351 ( -2.403 2.660 -5.325) 6.419 16.597 ( -0.979 -17.897 -15.613) 23.771 16.944 ( 0.699 0.301 -0.833) 1.128 17.054 ( 1.667 -3.945 -3.974) 5.843 17.184 ( 5.649 -3.442 3.917) 7.688 17.299 ( -4.293 -8.828 -0.267) 9.820 19.656 ( 3.394 -2.900 6.295) 7.718 19.829 ( -0.709 -2.621 -0.379) 2.741 20.784 ( -0.914 13.919 1.795) 14.064 21.019 ( 0.040 10.853 -2.343) 11.103 21.577 ( -3.761 -13.818 3.469) 14.735 22.040 ( 3.230 -12.214 -2.030) 12.796 23.006 ( -3.087 6.321 0.301) 7.041 23.257 ( 1.314 3.725 -2.666) 4.766 26.870 ( 0.131 -9.424 -0.173) 9.426 27.143 ( -8.297 -29.621 -14.738) 34.110 29.065 ( 0.897 18.567 3.540) 18.922 29.196 ( 1.789 14.010 0.138) 14.124 30.087 ( -7.818 -12.137 4.116) 15.012 30.354 ( 1.550 -1.222 -2.049) 2.845 30.397 ( 1.519 1.769 0.137) 2.335 30.852 ( 27.201 5.656 4.736) 28.183 31.100 ( 0.566 -4.230 -3.311) 5.402 31.350 ( 5.757 -4.677 -6.776) 10.047 31.663 ( 3.023 9.781 -0.146) 10.239 31.865 ( 23.678 5.322 -7.937) 25.534 32.222 ( 6.938 -11.525 0.126) 13.453 32.465 ( 31.721 -9.635 -6.957) 33.874 33.104 ( -0.823 2.267 -1.647) 2.921 33.533 ( 1.923 4.489 -7.812) 9.213 34.932 ( -0.177 0.085 3.688) 3.693 34.970 ( -1.384 1.259 4.567) 4.936 35.196 ( -5.963 3.561 1.113) 7.034 35.262 ( -3.472 1.489 1.834) 4.199 35.284 ( -3.307 0.370 3.263) 4.661 35.474 ( -0.598 -4.661 -0.906) 4.786 36.799 ( -62.071 10.605 21.958) 66.689 37.760 ( 12.978 7.385 -2.459) 15.134 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 8.119 -18.477 11.305) 23.133 1.571 ( 11.096 -20.525 14.097) 27.260 1.841 ( 13.681 -11.639 -0.459) 17.968 1.989 ( -3.512 -7.026 -4.663) 9.135 2.311 ( 2.487 -7.696 -2.151) 8.369 2.534 ( 9.092 -9.509 1.704) 13.267 2.700 ( 3.773 -4.918 4.003) 7.379 2.741 ( 0.298 0.151 0.760) 0.830 3.036 ( 2.271 -2.025 -4.149) 5.145 3.065 ( 4.362 0.201 -11.466) 12.270 3.198 ( 8.752 -0.571 5.961) 10.605 3.225 ( 5.508 4.663 -1.052) 7.293 3.425 ( -0.247 2.728 1.558) 3.151 3.539 ( -5.936 6.345 2.441) 9.025 3.657 ( -4.326 2.129 0.047) 4.822 3.845 ( -2.980 1.472 -2.093) 3.928 4.022 ( 2.035 1.451 2.416) 3.476 4.136 ( -1.497 -0.836 -7.090) 7.294 4.236 ( 0.169 3.133 -0.830) 3.246 4.458 ( 5.234 -1.822 5.195) 7.596 4.662 ( -15.302 1.350 -1.361) 15.422 4.806 ( -1.958 -2.191 -1.582) 3.337 5.092 ( -3.414 -10.848 -0.777) 11.399 5.213 ( 4.451 7.229 -0.986) 8.547 5.295 ( 4.295 -5.866 1.197) 7.368 5.422 ( -2.663 -4.184 1.343) 5.138 5.476 ( 0.514 5.264 3.322) 6.246 5.611 ( 4.454 -1.712 -4.165) 6.334 5.831 ( -5.907 6.511 -2.363) 9.103 6.002 ( -5.308 5.620 -4.411) 8.900 7.494 ( 4.196 0.408 9.702) 10.578 7.734 ( 0.701 2.915 0.215) 3.006 7.855 ( 1.061 -0.851 8.058) 8.172 7.989 ( -5.219 1.492 -5.264) 7.562 8.734 ( 1.159 0.411 1.658) 2.065 8.881 ( 1.509 -1.413 2.121) 2.962 8.912 ( -0.988 3.451 3.356) 4.914 8.980 ( 5.939 4.928 0.737) 7.753 9.122 ( 0.544 2.485 0.123) 2.546 9.260 ( 8.852 -2.048 -3.755) 9.831 9.709 ( 2.956 -1.632 -2.475) 4.186 9.768 ( 1.532 0.991 -0.912) 2.040 9.863 ( -7.184 -1.101 -1.731) 7.471 10.020 ( -3.047 7.851 -0.462) 8.434 10.265 ( -2.733 7.955 2.362) 8.737 10.555 ( 4.450 6.366 -2.117) 8.050 10.990 ( -4.410 -3.460 0.002) 5.605 11.259 ( 0.217 0.058 0.533) 0.578 11.427 ( 3.070 -5.319 -0.357) 6.152 11.493 ( 3.197 1.668 -5.610) 6.668 11.682 ( -2.111 -4.336 -0.554) 4.855 11.942 ( 4.133 5.345 9.669) 11.796 12.031 ( 0.397 -4.012 6.135) 7.342 12.221 ( -1.870 4.602 -6.179) 7.928 12.493 ( -2.299 5.516 0.402) 5.989 12.522 ( 2.923 1.178 3.230) 4.512 12.751 ( -0.612 4.943 -8.807) 10.118 12.865 ( 1.108 6.290 -4.572) 7.855 13.415 ( 2.229 -6.061 4.357) 7.790 13.528 ( -5.823 -1.329 1.022) 6.059 13.629 ( 3.109 -2.710 -1.742) 4.477 13.755 ( -5.340 -5.148 -2.462) 7.815 14.386 ( 9.395 7.432 7.951) 14.377 14.488 ( 3.925 -5.408 2.129) 7.014 14.817 ( -2.657 -6.911 2.272) 7.744 15.111 ( -4.906 -4.418 -4.729) 8.121 15.206 ( -3.154 -6.642 -5.899) 9.427 15.429 ( -4.189 -5.534 -8.035) 10.618 15.757 ( 2.396 3.437 6.759) 7.953 16.032 ( 4.307 -5.780 9.638) 12.036 16.233 ( -1.900 4.136 -5.837) 7.402 16.634 ( -8.156 -3.413 -13.524) 16.158 16.965 ( 1.386 -1.339 0.983) 2.163 17.089 ( 0.431 -2.063 -4.267) 4.759 17.302 ( 2.944 -3.947 2.697) 5.615 17.426 ( -3.402 -6.269 -0.278) 7.138 19.766 ( 1.021 -4.063 5.056) 6.566 19.911 ( -0.234 -7.642 -2.806) 8.144 20.525 ( -0.787 15.140 2.126) 15.308 20.769 ( 1.136 14.905 -3.042) 15.255 21.870 ( -0.053 -17.343 2.781) 17.564 22.303 ( 2.818 -15.067 -2.158) 15.479 22.849 ( -3.559 8.360 0.646) 9.109 23.155 ( 2.083 7.396 -2.277) 8.014 27.116 ( 0.549 -17.073 1.820) 17.178 27.452 ( -9.739 -22.759 -13.358) 28.129 28.730 ( 0.805 21.466 2.760) 21.658 28.872 ( 3.343 22.953 0.759) 23.207 30.264 ( -3.472 -9.359 1.289) 10.065 30.352 ( -0.834 -1.237 0.527) 1.582 30.484 ( -2.496 -10.328 -3.092) 11.066 30.993 ( 10.398 -1.555 6.105) 12.158 31.171 ( -1.762 -6.035 -5.021) 8.046 31.301 ( 1.426 5.962 -0.527) 6.153 31.462 ( 1.911 12.443 0.041) 12.589 31.978 ( 24.813 1.336 -11.292) 27.295 32.494 ( 3.666 -13.029 2.630) 13.788 32.727 ( 15.848 -3.050 -1.340) 16.194 33.029 ( -2.366 3.757 -0.664) 4.489 33.394 ( 1.995 7.305 -8.503) 11.386 34.933 ( -3.094 2.002 6.272) 7.274 34.958 ( -1.289 1.458 3.820) 4.287 35.128 ( -6.260 -0.002 3.590) 7.216 35.213 ( -7.834 0.024 3.355) 8.522 35.288 ( -0.524 0.294 2.842) 2.905 35.512 ( -1.601 -0.493 2.588) 3.083 36.562 ( -26.705 -9.956 3.663) 28.735 37.642 ( 13.719 15.947 -0.822) 21.052 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 7.506 -16.117 6.094) 18.794 1.940 ( 12.434 1.490 -3.033) 12.885 2.010 ( -1.864 -3.759 -2.918) 5.111 2.045 ( -5.381 -10.686 6.300) 13.522 2.372 ( -3.646 -1.958 -1.727) 4.485 2.655 ( -3.548 0.753 5.781) 6.824 2.782 ( 0.388 -1.091 -5.171) 5.299 2.876 ( 5.761 -4.262 3.779) 8.101 3.086 ( 9.689 -2.328 -3.523) 10.570 3.106 ( 5.793 -1.549 -4.448) 7.466 3.167 ( 10.071 2.045 -4.910) 11.389 3.309 ( 1.204 -3.237 -5.868) 6.808 3.409 ( 4.300 1.304 2.786) 5.287 3.439 ( -1.468 -0.963 2.325) 2.914 3.591 ( -5.121 2.535 3.687) 6.800 3.784 ( -0.672 1.608 -4.180) 4.529 3.986 ( -2.768 1.643 1.376) 3.501 4.126 ( 3.328 -2.096 -5.924) 7.111 4.277 ( 2.192 -3.447 3.805) 5.583 4.537 ( -8.482 0.840 -2.802) 8.972 4.569 ( 6.877 -1.574 6.055) 9.297 4.821 ( -3.529 -2.589 -1.573) 4.650 5.067 ( 0.158 5.529 -0.288) 5.538 5.140 ( -7.272 -0.930 -1.865) 7.564 5.359 ( 0.965 1.240 -0.333) 1.606 5.439 ( -0.347 -0.906 1.408) 1.710 5.590 ( 2.625 -1.580 0.592) 3.120 5.637 ( 2.317 2.015 -2.397) 3.895 5.712 ( 1.679 -1.718 7.396) 7.776 5.857 ( -6.528 2.451 -2.371) 7.365 7.554 ( -2.411 3.076 0.355) 3.924 7.667 ( 1.565 0.240 2.160) 2.678 7.841 ( -8.999 3.439 -7.560) 12.246 7.955 ( 7.907 0.193 9.405) 12.289 8.714 ( -3.963 0.014 -0.535) 3.999 8.854 ( 3.165 6.493 4.462) 8.491 8.902 ( -3.303 0.087 -3.409) 4.747 8.920 ( 5.598 3.687 -0.382) 6.714 9.143 ( 1.857 -1.596 3.638) 4.386 9.251 ( 2.852 4.479 -4.444) 6.924 9.662 ( 1.218 3.881 1.814) 4.453 9.757 ( -2.508 1.311 -3.301) 4.348 9.910 ( 2.315 0.732 3.917) 4.608 9.938 ( 1.342 -6.510 -6.912) 9.589 10.160 ( -4.885 2.187 2.043) 5.729 10.507 ( 5.033 2.634 -0.469) 5.700 11.003 ( -2.873 -0.127 2.589) 3.869 11.288 ( -0.943 -3.076 1.051) 3.385 11.421 ( 0.225 4.517 -0.379) 4.538 11.583 ( 2.509 -7.993 0.302) 8.383 11.749 ( -1.961 -3.420 -2.235) 4.532 11.919 ( 4.850 6.645 5.484) 9.888 12.102 ( -0.287 0.667 1.519) 1.684 12.152 ( 0.157 -4.581 -1.958) 4.984 12.377 ( -2.164 4.477 -0.323) 4.983 12.530 ( 3.964 3.907 1.255) 5.706 12.638 ( -1.765 1.413 -5.492) 5.940 12.758 ( 1.078 3.030 -3.175) 4.519 13.499 ( -7.018 -2.492 -1.561) 7.609 13.536 ( 2.545 -0.706 4.867) 5.537 13.705 ( 5.451 -2.706 -0.198) 6.089 13.824 ( -3.443 -8.111 -2.954) 9.293 14.341 ( 5.632 10.664 8.865) 14.968 14.555 ( -4.773 -1.056 -4.568) 6.691 14.907 ( -2.847 -6.599 -0.217) 7.191 15.124 ( -0.091 -5.076 -0.365) 5.090 15.263 ( -1.423 -1.855 -3.654) 4.338 15.421 ( -0.212 0.361 -0.783) 0.888 15.816 ( -0.861 -4.418 5.026) 6.747 16.084 ( -0.285 5.748 0.940) 5.832 16.301 ( 6.157 -8.719 2.969) 11.079 16.516 ( -7.034 0.192 -10.939) 13.007 17.015 ( 1.300 -2.034 1.628) 2.912 17.101 ( 0.609 -1.664 -4.449) 4.788 17.388 ( 1.801 -1.906 2.628) 3.713 17.453 ( -4.389 -0.462 0.793) 4.484 19.878 ( -1.046 -6.401 2.059) 6.805 20.041 ( 1.297 -7.107 -4.286) 8.400 20.281 ( -2.001 10.911 2.688) 11.414 20.503 ( 2.532 14.344 -2.561) 14.789 22.191 ( 0.809 -16.131 2.975) 16.423 22.571 ( 1.578 -14.276 -2.124) 14.519 22.670 ( -3.027 9.543 1.282) 10.093 23.008 ( 2.420 9.823 -1.892) 10.292 27.481 ( 0.542 -21.153 3.340) 21.422 27.689 ( -7.740 -19.186 -8.948) 22.540 28.325 ( -2.241 24.040 -0.870) 24.160 28.533 ( 9.042 20.466 3.219) 22.605 30.345 ( -2.096 -3.228 0.330) 3.863 30.391 ( -3.937 -2.914 1.558) 5.140 30.683 ( 0.292 -14.607 -4.350) 15.244 31.088 ( 5.086 2.306 2.568) 6.147 31.182 ( -4.556 0.906 -0.923) 4.736 31.238 ( 3.467 1.071 -3.553) 5.078 31.306 ( -0.578 3.997 -0.583) 4.081 32.032 ( 19.853 5.859 -8.029) 22.202 32.718 ( 1.918 -4.637 3.886) 6.347 32.839 ( 2.615 -2.479 -0.227) 3.611 32.967 ( -2.124 -1.857 1.034) 3.005 33.226 ( 2.238 8.169 -6.711) 10.806 34.900 ( -5.448 1.854 7.477) 9.435 34.933 ( -2.912 1.182 2.505) 4.019 35.132 ( -2.979 -0.991 5.247) 6.114 35.175 ( -4.857 0.813 3.038) 5.787 35.302 ( -2.532 -1.596 2.214) 3.723 35.511 ( -0.010 1.146 2.173) 2.456 36.677 ( -11.412 -18.189 -6.100) 22.322 37.416 ( 12.347 19.661 -0.019) 23.216 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.298 12.298 -5.374) 13.484 1.896 ( -11.252 4.446 -7.245) 14.102 2.031 ( 0.888 -9.400 4.514) 10.466 2.154 ( 1.720 3.162 2.814) 4.569 2.348 ( -3.516 -1.717 -0.098) 3.914 2.591 ( 5.897 10.017 0.493) 11.634 2.771 ( -0.471 -2.745 -6.550) 7.118 2.932 ( -3.114 -1.674 -0.923) 3.654 3.060 ( 4.385 4.288 -3.722) 7.173 3.136 ( 7.088 4.180 0.389) 8.238 3.267 ( 3.187 -1.020 -7.216) 7.954 3.307 ( 3.798 -2.707 2.019) 5.082 3.439 ( 2.074 -0.737 0.288) 2.220 3.516 ( -4.364 -1.204 2.502) 5.172 3.584 ( 0.511 -2.274 5.322) 5.810 3.741 ( 2.367 0.517 -4.406) 5.028 3.987 ( -4.753 -3.801 2.638) 6.633 4.159 ( 1.509 -1.393 -4.627) 5.063 4.356 ( -2.024 -2.347 3.312) 4.536 4.443 ( -1.701 3.527 -4.818) 6.208 4.695 ( 9.916 -1.456 4.817) 11.120 4.816 ( -4.666 -1.036 0.867) 4.857 5.009 ( -2.645 1.004 0.444) 2.864 5.153 ( -2.669 -7.160 0.835) 7.686 5.310 ( -5.826 -0.146 -3.922) 7.025 5.421 ( -2.717 3.730 -1.925) 5.000 5.497 ( 0.490 4.192 4.762) 6.363 5.652 ( 1.646 0.046 -2.879) 3.316 5.764 ( -1.167 0.448 4.493) 4.663 5.961 ( 11.256 -6.454 7.619) 15.047 7.403 ( -9.357 3.604 -4.876) 11.149 7.659 ( -10.458 3.358 -8.693) 14.008 7.723 ( 5.256 0.174 2.392) 5.778 8.088 ( 12.199 0.198 8.919) 15.113 8.688 ( -2.121 -0.653 -1.459) 2.656 8.755 ( 0.709 5.570 -1.215) 5.745 8.883 ( -0.033 -1.755 -1.224) 2.140 8.922 ( 3.398 2.047 0.777) 4.043 9.153 ( -3.281 1.251 -0.338) 3.527 9.208 ( 0.181 -2.175 -1.625) 2.721 9.657 ( 2.342 0.373 1.437) 2.772 9.700 ( 0.801 1.235 0.219) 1.488 9.931 ( -2.253 -2.619 -4.775) 5.894 10.019 ( 1.339 0.086 4.353) 4.555 10.155 ( -3.660 -5.127 -0.123) 6.301 10.503 ( 2.579 1.598 -0.949) 3.179 10.995 ( -1.759 0.009 2.859) 3.356 11.314 ( 1.158 1.589 -0.194) 1.975 11.386 ( -4.641 -3.286 0.983) 5.770 11.668 ( -0.746 1.259 -1.314) 1.967 11.748 ( 0.189 0.092 3.657) 3.663 11.877 ( 0.953 2.406 0.142) 2.591 12.108 ( 4.427 1.986 2.122) 5.296 12.245 ( 0.816 -5.147 -1.127) 5.332 12.336 ( -2.241 -1.921 -0.682) 3.029 12.419 ( 4.623 10.076 -2.690) 11.408 12.653 ( -1.064 -6.204 -1.452) 6.459 12.759 ( -1.555 -3.841 -0.580) 4.184 13.504 ( -2.859 -0.271 1.396) 3.193 13.542 ( 5.923 2.621 1.256) 6.597 13.775 ( -0.339 -1.634 1.330) 2.134 13.932 ( -4.909 -8.765 -4.423) 10.976 14.146 ( -2.082 14.614 2.641) 14.996 14.508 ( 0.633 0.164 -4.820) 4.864 14.987 ( -1.783 -2.169 2.202) 3.568 15.202 ( -3.737 -0.953 -4.198) 5.701 15.303 ( 1.916 -8.832 5.185) 10.419 15.418 ( 4.538 2.691 2.013) 5.647 15.885 ( -2.274 0.083 1.607) 2.786 15.983 ( 0.594 6.298 0.720) 6.367 16.292 ( -6.328 1.923 -7.187) 9.767 16.622 ( 8.629 -8.786 2.593) 12.585 17.063 ( 1.033 -1.110 1.570) 2.182 17.110 ( 1.425 -1.298 -4.233) 4.651 17.398 ( -5.166 1.969 -0.819) 5.588 17.430 ( 2.021 0.849 3.680) 4.284 19.940 ( 2.067 7.685 -2.177) 8.251 20.030 ( 1.280 -2.225 -2.045) 3.282 20.272 ( 0.880 2.460 -0.065) 2.613 20.326 ( -0.809 -5.252 -0.147) 5.316 22.430 ( -1.836 2.359 2.498) 3.896 22.516 ( -0.416 -3.427 3.136) 4.663 22.800 ( 1.424 -6.588 -1.474) 6.900 22.828 ( 0.822 5.521 -2.410) 6.080 27.778 ( 0.201 9.499 0.878) 9.542 27.939 ( -3.492 -19.030 -3.562) 19.673 27.972 ( -3.372 -6.264 0.221) 7.118 28.319 ( 12.642 14.387 1.761) 19.233 30.375 ( -2.799 -0.392 0.555) 2.880 30.396 ( -3.557 -1.507 1.491) 4.141 30.897 ( 0.411 -8.707 -4.341) 9.738 30.992 ( 1.818 8.054 -1.912) 8.475 31.144 ( -0.777 0.861 0.492) 1.260 31.231 ( 0.212 2.035 4.989) 5.392 31.293 ( -3.481 -6.030 -9.366) 11.670 31.985 ( 12.096 8.208 -7.121) 16.260 32.686 ( -1.840 7.073 1.379) 7.437 32.862 ( 0.454 -1.184 -2.473) 2.779 33.033 ( 1.756 7.041 2.784) 7.773 33.160 ( -0.116 -10.160 -2.470) 10.457 34.879 ( -5.933 0.087 7.335) 9.435 34.911 ( -2.985 -0.105 1.637) 3.406 35.133 ( -2.252 2.261 5.795) 6.615 35.174 ( 0.533 -0.883 2.608) 2.804 35.324 ( -5.263 -2.608 1.936) 6.185 35.501 ( 0.845 1.568 2.273) 2.887 36.913 ( -4.377 -17.672 -8.475) 20.081 37.174 ( 9.509 15.289 1.192) 18.044 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -12.237 18.564 0.665) 22.244 1.605 ( -14.441 12.985 -5.412) 20.160 2.056 ( -1.676 4.643 1.535) 5.169 2.177 ( 6.496 -0.580 0.151) 6.524 2.362 ( 3.221 6.713 3.030) 8.039 2.455 ( 5.181 6.856 -2.591) 8.975 2.753 ( -2.893 0.132 -4.711) 5.530 2.799 ( -4.644 10.865 -9.623) 15.238 3.029 ( 1.987 1.938 -5.768) 6.401 3.102 ( 4.498 2.471 3.065) 5.977 3.225 ( 0.965 1.225 -4.898) 5.140 3.325 ( -4.524 1.955 -0.112) 4.930 3.448 ( -1.459 4.568 0.360) 4.809 3.524 ( -3.183 -1.692 5.973) 6.976 3.613 ( -0.320 -4.053 -2.276) 4.659 3.781 ( 6.248 -2.462 0.417) 6.728 4.074 ( -5.909 -7.521 4.000) 10.367 4.161 ( 1.395 -2.899 -6.390) 7.155 4.286 ( -1.350 6.821 -0.514) 6.972 4.434 ( -3.018 -3.605 1.730) 5.010 4.732 ( 1.503 2.512 6.214) 6.869 4.876 ( 5.774 0.182 3.094) 6.553 5.019 ( -4.662 -7.049 -3.755) 9.248 5.204 ( -3.956 0.965 -4.178) 5.834 5.285 ( -2.082 6.251 1.803) 6.831 5.379 ( -0.901 -9.989 5.786) 11.578 5.484 ( 1.880 2.137 1.503) 3.219 5.646 ( 0.038 -0.405 -2.402) 2.436 5.814 ( 1.927 -3.511 1.805) 4.393 6.181 ( 11.141 -2.934 6.436) 13.197 7.278 ( -7.832 0.925 -0.765) 7.924 7.473 ( -8.953 3.438 -7.785) 12.352 7.785 ( 6.802 -1.448 1.073) 7.037 8.170 ( 9.151 4.743 2.999) 10.734 8.696 ( -3.568 -3.002 -0.878) 4.745 8.712 ( 3.541 -0.053 -0.500) 3.577 8.888 ( -0.538 2.648 -0.113) 2.705 8.926 ( -0.324 -2.754 0.988) 2.944 9.131 ( -3.861 -1.791 -0.492) 4.284 9.272 ( -3.603 -7.270 -2.495) 8.489 9.639 ( 4.413 3.572 0.254) 5.683 9.747 ( 2.212 -1.799 -0.389) 2.878 9.911 ( -1.087 0.620 -1.781) 2.177 10.055 ( -5.943 -5.645 3.917) 9.084 10.208 ( 0.380 0.869 1.884) 2.110 10.491 ( -0.980 -2.997 -3.025) 4.370 11.023 ( -0.689 -2.269 3.102) 3.905 11.318 ( 2.895 -0.481 1.603) 3.344 11.408 ( -5.658 -3.151 -0.806) 6.527 11.610 ( -0.550 2.534 -0.296) 2.610 11.755 ( 0.349 1.867 3.592) 4.063 11.837 ( -3.835 0.836 -0.334) 3.939 12.045 ( 4.641 11.254 -2.059) 12.346 12.314 ( 1.154 -1.280 1.710) 2.428 12.358 ( 4.358 -3.596 -1.396) 5.820 12.361 ( -1.811 -2.438 -1.477) 3.377 12.775 ( -0.487 -7.667 -1.683) 7.865 12.852 ( -2.358 -8.521 -0.936) 8.891 13.436 ( 0.787 6.780 3.419) 7.634 13.566 ( 5.339 4.363 0.192) 6.898 13.750 ( -5.446 0.499 0.326) 5.479 13.932 ( 1.184 8.737 0.896) 8.863 14.006 ( -7.297 -8.172 -5.252) 12.150 14.474 ( 0.700 2.409 -2.148) 3.302 14.939 ( -4.422 5.772 1.411) 7.406 15.239 ( 3.589 -6.378 -2.542) 7.747 15.391 ( 6.196 6.370 3.316) 9.485 15.521 ( 0.893 -7.135 4.632) 8.553 15.753 ( -4.816 8.929 -2.838) 10.534 15.862 ( -0.923 5.979 -0.406) 6.064 16.268 ( -2.095 -4.857 -0.936) 5.372 16.830 ( 9.710 -4.439 1.963) 10.855 17.079 ( 1.754 1.880 2.995) 3.947 17.123 ( 1.813 -1.930 -6.450) 6.972 17.300 ( -5.746 3.163 -2.508) 7.023 17.438 ( 3.597 2.844 3.718) 5.903 19.759 ( 2.641 10.652 -0.872) 11.009 19.995 ( 8.392 8.689 -7.036) 13.979 20.316 ( -3.416 -10.421 3.612) 11.546 20.543 ( -0.492 -14.968 -1.334) 15.035 22.214 ( -5.594 13.343 3.007) 14.778 22.546 ( 2.203 12.805 -2.354) 13.204 22.769 ( -0.142 -8.920 4.182) 9.853 23.003 ( 0.933 -10.439 -2.154) 10.699 27.417 ( -0.537 20.470 -0.229) 20.478 28.101 ( 16.736 7.893 5.457) 19.292 28.296 ( -0.962 -13.733 -4.693) 14.545 28.352 ( -1.368 -22.774 -1.823) 22.888 30.302 ( -5.770 4.095 -2.148) 7.394 30.408 ( -2.523 0.395 3.102) 4.018 30.792 ( -0.663 11.075 0.376) 11.101 30.905 ( -5.937 4.066 -7.284) 10.240 31.188 ( 2.564 -2.391 1.308) 3.742 31.264 ( -1.523 -6.399 1.906) 6.849 31.322 ( -0.624 -3.204 -6.889) 7.623 31.869 ( 5.850 5.746 -12.391) 14.859 32.519 ( -1.986 10.535 1.720) 10.858 32.793 ( 2.561 10.230 -3.379) 11.074 32.978 ( -0.749 -1.808 2.937) 3.530 33.352 ( 1.455 -10.117 -2.537) 10.532 34.886 ( -5.804 -1.460 6.140) 8.574 34.911 ( -2.436 -1.077 1.910) 3.278 35.113 ( 0.886 2.345 4.403) 5.066 35.219 ( 1.033 -1.070 5.131) 5.342 35.326 ( -5.831 -1.633 0.178) 6.058 35.501 ( -0.981 0.593 5.063) 5.191 36.929 ( 3.275 9.126 5.027) 10.921 37.252 ( 1.133 -16.837 -7.856) 18.614 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -17.064 17.101 11.375) 26.703 1.170 ( -16.700 20.154 -0.150) 26.174 1.879 ( -4.478 33.136 1.166) 33.458 2.016 ( -4.238 12.110 7.603) 14.913 2.225 ( 7.314 7.038 -3.778) 10.830 2.366 ( -6.138 -2.132 -4.247) 7.763 2.606 ( -1.012 1.285 -6.110) 6.325 2.720 ( 1.628 -1.524 -1.272) 2.567 2.971 ( 2.193 2.420 -3.020) 4.448 3.095 ( 3.126 2.449 -4.209) 5.787 3.197 ( 0.316 -0.565 -5.976) 6.011 3.262 ( -0.784 4.315 -3.918) 5.880 3.335 ( -1.201 0.506 4.481) 4.667 3.607 ( -1.336 -5.839 4.509) 7.497 3.713 ( 6.459 -4.219 -2.138) 8.006 3.900 ( 3.828 -4.656 -1.301) 6.167 4.144 ( -3.503 -6.059 -6.594) 9.616 4.174 ( -2.717 3.550 6.080) 7.547 4.253 ( -3.187 -7.278 0.941) 8.001 4.467 ( -4.570 -2.075 0.970) 5.112 4.764 ( 5.976 3.650 8.574) 11.070 4.869 ( 3.139 3.802 1.604) 5.185 5.016 ( -3.064 6.546 -2.565) 7.669 5.171 ( -1.272 -4.250 -2.020) 4.874 5.203 ( -5.220 -0.020 5.770) 7.781 5.446 ( 1.057 3.580 0.015) 3.733 5.601 ( 2.847 -6.733 1.777) 7.524 5.618 ( -1.933 -1.536 -3.907) 4.622 5.937 ( 0.877 -8.403 -1.297) 8.548 6.274 ( 3.965 0.875 -0.255) 4.068 7.248 ( -4.308 -1.232 6.426) 7.834 7.354 ( -2.043 1.997 1.543) 3.247 7.877 ( 5.475 -1.970 0.418) 5.834 8.120 ( 4.760 5.683 -1.586) 7.581 8.686 ( -8.698 -0.382 0.565) 8.725 8.772 ( 3.542 -3.365 -1.008) 4.989 8.847 ( -2.504 1.892 2.385) 3.942 8.979 ( -2.303 -3.529 1.455) 4.458 9.130 ( -2.821 -0.953 -0.209) 2.985 9.344 ( -6.055 -6.217 -3.691) 9.431 9.614 ( 4.760 3.530 -0.026) 5.926 9.750 ( 1.954 1.290 -4.066) 4.692 9.888 ( -1.718 0.195 1.722) 2.440 10.163 ( 2.344 1.820 2.477) 3.865 10.215 ( -3.922 -11.259 3.768) 12.504 10.595 ( 1.156 -9.236 -3.128) 9.820 11.086 ( -1.621 -3.468 2.913) 4.810 11.364 ( -0.156 -1.227 0.871) 1.513 11.413 ( -1.895 -1.123 -2.447) 3.293 11.575 ( 0.240 0.926 -0.781) 1.235 11.745 ( -1.790 0.855 2.406) 3.118 11.782 ( -5.078 1.051 -1.312) 5.349 11.847 ( 2.356 9.241 1.770) 9.700 12.383 ( -1.254 -2.708 -0.453) 3.018 12.385 ( 1.045 -2.147 1.227) 2.684 12.446 ( 4.027 -2.524 -0.760) 4.813 12.873 ( 0.354 -5.506 -5.775) 7.987 12.979 ( -1.391 -7.656 -2.325) 8.121 13.339 ( -0.962 5.840 3.956) 7.119 13.470 ( -0.956 4.493 1.516) 4.838 13.757 ( 6.750 2.013 1.537) 7.209 13.813 ( 0.117 6.272 -1.101) 6.369 14.051 ( -9.180 -7.001 -4.440) 12.370 14.426 ( -1.342 1.421 0.275) 1.974 14.792 ( -3.476 7.134 1.390) 8.056 15.259 ( 4.663 11.379 -0.361) 12.303 15.417 ( 5.405 0.994 3.999) 6.796 15.437 ( 0.833 6.732 -6.532) 9.417 15.613 ( -0.598 3.767 -1.511) 4.102 15.894 ( -3.111 -8.199 4.590) 9.898 16.358 ( -0.050 -5.577 -0.790) 5.633 16.932 ( 8.641 0.967 -2.511) 9.050 17.066 ( 2.228 3.067 3.352) 5.061 17.109 ( 3.939 1.859 -11.783) 12.562 17.178 ( -4.851 3.940 -2.751) 6.828 17.422 ( 6.197 5.490 1.875) 8.489 19.618 ( 3.096 7.322 0.289) 7.955 19.864 ( 8.483 8.230 -5.311) 12.958 20.536 ( -3.048 -14.321 2.368) 14.832 20.804 ( 0.367 -14.984 -1.531) 15.066 21.937 ( -8.567 13.454 3.691) 16.371 22.281 ( 1.095 15.295 -2.635) 15.558 22.951 ( 0.018 -7.884 3.028) 8.445 23.167 ( 1.510 -8.086 -2.096) 8.489 27.094 ( -0.329 15.249 0.052) 15.253 28.039 ( 29.967 18.502 -7.752) 36.061 28.582 ( -4.203 -21.621 -3.092) 22.242 28.746 ( -2.113 -22.570 0.418) 22.672 30.093 ( -10.593 10.606 -5.541) 15.981 30.351 ( -6.196 5.072 3.506) 8.742 30.586 ( -2.741 11.538 1.677) 11.977 30.705 ( -1.909 7.380 -7.589) 10.756 31.206 ( 2.605 3.794 -2.903) 5.442 31.360 ( -0.318 -7.099 0.941) 7.168 31.441 ( -0.705 -11.998 0.196) 12.021 31.720 ( 7.870 8.261 -20.310) 23.295 32.313 ( -0.660 12.828 2.884) 13.165 32.566 ( 0.464 14.352 -0.219) 14.361 33.051 ( 1.671 -3.876 -0.297) 4.232 33.496 ( 2.056 -6.823 -4.486) 8.420 34.899 ( -2.600 -0.742 2.625) 3.768 34.933 ( -4.044 -1.985 4.265) 6.203 35.124 ( 2.550 0.128 4.024) 4.766 35.275 ( -1.293 -1.276 4.244) 4.616 35.307 ( -3.801 -1.010 1.349) 4.158 35.513 ( -3.036 0.443 6.347) 7.050 36.918 ( -7.158 -4.841 18.952) 20.829 37.515 ( 3.301 -15.021 -7.664) 17.183 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -14.101 21.910 9.102) 27.599 0.736 ( -10.812 17.288 21.090) 29.335 1.050 ( -11.036 42.455 11.463) 45.339 1.934 ( -5.177 4.360 12.389) 14.117 2.061 ( -2.023 8.565 -5.187) 10.216 2.348 ( 4.080 0.084 -5.958) 7.222 2.640 ( -1.356 -7.418 -1.664) 7.722 2.790 ( 1.930 -2.347 -2.625) 4.015 2.949 ( 4.814 1.669 -1.890) 5.434 3.057 ( 4.648 1.248 -4.910) 6.875 3.142 ( 0.950 3.590 -5.959) 7.021 3.233 ( 1.153 -2.901 0.233) 3.131 3.382 ( 1.349 -0.956 5.293) 5.545 3.731 ( -0.388 -7.232 -1.739) 7.448 3.813 ( 9.130 0.545 -0.151) 9.148 3.919 ( 0.183 0.320 -7.488) 7.497 4.149 ( -6.359 -2.660 1.061) 6.975 4.248 ( -2.574 -6.038 0.312) 6.571 4.317 ( -9.942 -4.049 0.247) 10.737 4.451 ( -5.361 -1.130 -0.044) 5.479 4.703 ( -0.527 10.286 3.510) 10.881 4.864 ( 1.453 0.857 7.822) 8.002 4.896 ( -0.258 -0.721 -2.124) 2.258 5.202 ( -9.752 -4.363 -3.937) 11.386 5.269 ( 2.124 -1.919 9.169) 9.605 5.385 ( 0.914 2.261 -1.379) 2.801 5.552 ( 0.345 1.448 -4.772) 4.999 5.732 ( 1.180 -3.916 -6.867) 7.993 6.057 ( -1.565 -4.807 -1.789) 5.363 6.266 ( -1.254 -2.320 -3.504) 4.385 7.326 ( 2.233 -1.445 12.451) 12.732 7.457 ( 4.783 -10.276 17.448) 20.806 7.914 ( 0.127 -0.475 -0.920) 1.043 8.047 ( 2.205 4.739 -2.070) 5.622 8.622 ( -10.621 -1.625 1.020) 10.793 8.780 ( -2.299 4.407 1.274) 5.131 8.861 ( 5.305 -2.477 1.443) 6.030 9.025 ( -4.847 -3.037 2.297) 6.164 9.113 ( -1.188 0.899 -0.447) 1.555 9.344 ( -8.278 -3.479 -7.498) 11.699 9.601 ( 5.074 1.898 2.015) 5.780 9.704 ( -0.380 2.320 -5.000) 5.525 9.945 ( 4.704 -4.439 9.228) 11.269 10.183 ( 2.546 -0.934 -0.251) 2.724 10.421 ( -2.038 -9.140 5.550) 10.886 10.751 ( -0.464 -9.760 -6.733) 11.866 11.127 ( -5.136 -1.345 -0.133) 5.311 11.291 ( -1.686 7.788 -7.516) 10.954 11.372 ( -4.019 -0.715 -1.407) 4.318 11.577 ( 0.894 -1.809 -3.110) 3.707 11.703 ( -4.126 -0.708 0.165) 4.190 11.786 ( -1.771 0.012 8.317) 8.504 11.832 ( 1.985 -1.982 5.796) 6.439 12.354 ( -0.646 1.844 -5.686) 6.012 12.443 ( 1.041 -1.772 2.367) 3.135 12.541 ( 2.944 -5.407 5.850) 8.493 12.922 ( 5.916 -3.083 -6.286) 9.167 13.067 ( -1.781 -4.743 -2.590) 5.690 13.291 ( -1.403 0.101 4.531) 4.745 13.450 ( 1.568 0.795 3.728) 4.122 13.695 ( -2.345 4.457 -3.140) 5.935 13.744 ( 5.522 5.632 -0.595) 7.910 14.096 ( -0.844 -5.336 0.777) 5.458 14.428 ( -1.897 -2.953 0.827) 3.606 14.658 ( 0.022 7.658 1.634) 7.831 15.025 ( 0.752 13.629 -0.256) 13.652 15.251 ( -1.620 5.229 -6.016) 8.134 15.445 ( -1.101 7.641 1.798) 7.926 15.575 ( 17.662 7.890 -10.547) 22.033 16.019 ( -4.960 -5.567 3.747) 8.345 16.430 ( -0.677 -3.274 -2.476) 4.161 16.751 ( 17.809 32.386 -28.538) 46.695 16.986 ( -0.817 0.165 -7.279) 7.327 17.054 ( 3.736 3.118 3.402) 5.937 17.078 ( -0.628 3.973 -1.713) 4.372 17.342 ( -1.047 6.081 2.128) 6.527 19.549 ( 3.995 4.374 2.157) 6.305 19.807 ( 3.604 1.183 0.247) 3.801 20.787 ( -1.804 -13.954 1.656) 14.167 21.040 ( 0.219 -11.248 -1.379) 11.335 21.671 ( -13.121 8.506 2.935) 15.910 22.024 ( 1.926 12.389 -2.466) 12.778 23.062 ( -2.581 -4.394 0.635) 5.136 23.274 ( 1.349 -3.709 -3.080) 5.006 26.877 ( -0.415 8.622 -0.449) 8.644 27.578 ( 10.537 44.476 -43.503) 63.100 28.985 ( 7.559 -21.251 6.645) 23.514 29.116 ( 2.492 -17.705 2.639) 18.073 29.804 ( 16.010 14.683 10.627) 24.183 30.157 ( -9.176 12.130 6.876) 16.692 30.398 ( 0.105 6.740 -1.400) 6.884 30.580 ( 3.594 5.236 -3.319) 7.166 31.119 ( 0.629 4.010 -2.197) 4.616 31.414 ( 5.726 18.687 -14.537) 24.358 31.558 ( 6.623 -9.451 1.457) 11.632 31.680 ( 1.836 -13.654 0.167) 13.778 32.099 ( 2.317 13.298 3.387) 13.917 32.309 ( 1.415 15.232 0.596) 15.309 33.115 ( 1.888 -2.207 -1.729) 3.380 33.579 ( 2.069 -3.952 -5.587) 7.150 34.906 ( -1.134 -0.078 2.613) 2.850 34.955 ( -2.246 -0.858 2.989) 3.836 35.198 ( 3.079 -3.586 1.613) 4.994 35.273 ( -2.844 -1.289 -0.449) 3.154 35.334 ( -4.591 -1.504 5.612) 7.405 35.486 ( -0.863 3.971 1.335) 4.278 37.298 ( -26.087 -36.919 25.528) 51.915 37.747 ( -2.687 -14.461 -3.387) 15.094 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 14.431 0.000 16.539) 21.949 0.906 ( 21.872 0.000 15.772) 26.965 1.574 ( 29.653 0.000 21.530) 36.645 1.836 ( 6.146 0.000 -12.902) 14.291 2.004 ( 10.979 0.000 -7.223) 13.142 2.513 ( 5.956 0.000 0.283) 5.963 2.658 ( -5.148 -0.000 -0.279) 5.156 2.697 ( -2.849 -0.000 1.772) 3.355 3.011 ( -3.622 -0.000 -2.141) 4.208 3.077 ( 5.094 0.000 -2.218) 5.556 3.201 ( 11.746 0.000 6.540) 13.444 3.359 ( 2.908 0.000 1.925) 3.487 3.497 ( -1.243 -0.000 6.322) 6.443 3.679 ( -4.012 -0.000 -3.185) 5.123 3.761 ( -11.250 -0.000 5.475) 12.511 3.833 ( -0.642 -0.000 0.320) 0.718 3.958 ( 1.379 0.000 0.309) 1.413 4.155 ( -5.547 -0.000 -8.698) 10.316 4.275 ( -7.163 -0.000 -1.709) 7.364 4.393 ( 2.529 0.000 6.659) 7.123 4.656 ( -19.553 -0.000 -4.852) 20.146 4.683 ( 7.694 0.000 4.008) 8.675 4.957 ( 6.916 0.000 -0.145) 6.918 5.052 ( 9.311 0.000 -4.177) 10.204 5.330 ( -1.212 -0.000 3.185) 3.407 5.493 ( 1.371 0.000 -1.460) 2.003 5.528 ( 2.210 0.000 -4.563) 5.070 5.564 ( -2.922 -0.000 -3.362) 4.454 5.993 ( -5.390 -0.000 -0.221) 5.395 6.175 ( -3.134 -0.000 -4.486) 5.473 7.622 ( -5.839 -0.000 5.468) 8.000 7.709 ( 3.643 0.000 13.320) 13.810 7.840 ( -1.252 -0.000 -1.292) 1.799 7.998 ( 0.931 0.000 -1.149) 1.479 8.762 ( 6.395 0.000 0.448) 6.411 8.844 ( 7.371 0.000 3.168) 8.023 9.031 ( -0.024 -0.000 5.660) 5.660 9.097 ( 5.202 0.000 -9.190) 10.560 9.098 ( 7.873 0.000 1.786) 8.073 9.185 ( 0.181 0.000 1.190) 1.203 9.578 ( 0.640 0.000 -4.722) 4.765 9.718 ( 3.008 0.000 -2.039) 3.634 10.084 ( -12.835 -0.000 0.343) 12.840 10.133 ( -7.114 -0.000 1.294) 7.231 10.516 ( -0.706 -0.000 -1.653) 1.798 10.788 ( 8.180 0.000 -6.165) 10.243 10.857 ( -3.353 -0.000 0.276) 3.364 11.287 ( 5.221 0.000 -0.551) 5.250 11.302 ( -1.177 -0.000 -6.575) 6.679 11.482 ( 5.006 0.000 -9.869) 11.066 11.744 ( -2.882 -0.000 7.349) 7.894 11.890 ( -2.184 -0.000 7.584) 7.892 12.148 ( 6.774 0.000 9.045) 11.300 12.336 ( -0.538 -0.000 -5.078) 5.107 12.580 ( -4.808 -0.000 3.246) 5.801 12.584 ( 4.960 0.000 3.184) 5.894 12.943 ( 2.286 0.000 -11.679) 11.900 12.980 ( -0.622 -0.000 -4.186) 4.232 13.341 ( 1.063 0.000 -1.614) 1.933 13.401 ( -5.935 -0.000 -3.008) 6.654 13.601 ( -0.540 -0.000 1.578) 1.668 13.603 ( -3.982 -0.000 2.391) 4.645 14.431 ( 0.357 0.000 -0.925) 0.992 14.523 ( 0.576 0.000 -0.963) 1.123 14.741 ( -10.222 -0.000 -2.046) 10.424 14.858 ( 8.279 0.000 1.948) 8.505 15.000 ( 0.010 0.000 -6.022) 6.022 15.123 ( 0.782 0.000 -5.042) 5.102 15.862 ( -9.934 -0.000 5.781) 11.494 16.070 ( 15.746 0.000 1.348) 15.803 16.325 ( 1.927 0.000 -2.334) 3.027 16.351 ( -3.288 -0.000 -3.609) 4.882 16.947 ( -0.913 -0.000 -0.121) 0.921 16.997 ( 2.487 0.000 -3.912) 4.635 17.168 ( -7.304 -0.000 0.231) 7.307 17.241 ( 8.350 0.000 5.032) 9.749 19.702 ( 3.645 0.000 8.005) 8.795 19.786 ( -4.047 -0.000 -0.372) 4.064 20.956 ( 1.215 0.000 0.968) 1.554 21.095 ( -1.629 -0.000 -0.523) 1.711 21.428 ( -1.485 -0.000 2.023) 2.509 21.933 ( 3.702 0.000 -1.620) 4.041 23.071 ( -0.616 -0.000 0.012) 0.616 23.287 ( 1.813 0.000 -2.014) 2.710 26.790 ( 0.072 0.000 -0.571) 0.576 26.794 ( 0.302 0.000 -0.589) 0.662 29.294 ( 2.157 0.000 2.529) 3.324 29.330 ( 1.656 0.000 0.954) 1.911 29.885 ( -11.656 -0.000 3.069) 12.053 30.298 ( -1.007 -0.000 -1.927) 2.174 30.401 ( -4.246 -0.000 -4.466) 6.162 31.040 ( -1.815 -0.000 -2.436) 3.038 31.064 ( -2.113 -0.000 -0.679) 2.220 31.386 ( 26.311 0.000 -6.442) 27.089 31.822 ( 5.912 0.000 2.401) 6.380 31.955 ( -0.244 -0.000 0.109) 0.267 32.132 ( 2.106 0.000 0.151) 2.111 32.741 ( 76.438 0.000 -38.503) 85.588 33.104 ( -2.320 -0.000 -1.163) 2.595 33.549 ( 3.048 0.000 -9.134) 9.629 34.953 ( 0.240 0.000 3.945) 3.953 35.003 ( 0.102 0.000 4.339) 4.341 35.160 ( -10.648 -0.000 -0.023) 10.648 35.301 ( -0.250 -0.000 2.423) 2.436 35.306 ( -2.655 -0.000 -2.565) 3.692 35.361 ( 0.565 0.000 -0.624) 0.842 36.470 ( -77.621 -0.000 32.960) 84.330 37.945 ( 16.339 0.000 2.196) 16.486 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 11.308 -10.652 13.089) 20.314 1.324 ( 12.909 -16.773 10.559) 23.653 1.851 ( 7.166 -4.605 -11.531) 14.336 1.934 ( 25.599 -3.582 8.284) 27.143 2.142 ( 8.541 -9.600 -7.572) 14.915 2.541 ( 8.760 0.959 -2.199) 9.082 2.638 ( -3.662 -4.463 5.111) 7.710 2.744 ( -0.224 -1.481 1.856) 2.386 2.978 ( -1.643 -2.208 -1.970) 3.385 3.065 ( 3.123 2.370 -5.938) 7.115 3.302 ( 8.982 1.905 3.466) 9.814 3.359 ( 5.118 3.837 -0.927) 6.464 3.491 ( 0.355 2.548 3.950) 4.714 3.578 ( -7.505 3.586 -5.523) 9.985 3.685 ( -4.644 3.049 9.391) 10.911 3.826 ( -4.321 -0.112 -2.118) 4.814 4.014 ( -1.436 -3.586 1.799) 4.261 4.072 ( -0.894 0.331 -7.104) 7.167 4.250 ( -5.118 -1.746 2.360) 5.900 4.454 ( -18.071 -5.254 3.117) 19.075 4.533 ( 4.550 0.928 -2.462) 5.256 4.778 ( 4.696 -1.020 3.568) 5.985 4.998 ( 5.599 0.338 -0.590) 5.640 5.199 ( 11.513 -8.553 -0.388) 14.348 5.342 ( 0.558 0.847 -0.708) 1.237 5.383 ( -3.144 5.022 -1.599) 6.137 5.541 ( -1.207 -0.276 -1.057) 1.628 5.583 ( 4.300 -2.364 -0.890) 4.987 5.888 ( -5.887 6.490 -0.221) 8.765 6.079 ( -2.361 5.661 -2.594) 6.659 7.588 ( 2.227 2.355 6.241) 7.032 7.776 ( 0.198 2.279 -1.976) 3.023 7.869 ( 0.148 -2.555 8.866) 9.228 7.984 ( -1.035 1.368 -0.808) 1.896 8.786 ( 3.531 3.006 0.214) 4.642 8.879 ( 0.352 0.410 1.221) 1.335 8.996 ( 1.274 3.274 1.560) 3.844 9.108 ( 3.374 1.705 -3.940) 5.460 9.156 ( 2.546 0.396 1.709) 3.092 9.255 ( 9.772 -2.700 1.506) 10.249 9.599 ( 0.399 -5.198 -6.811) 8.577 9.736 ( 0.518 -2.226 -3.917) 4.535 9.927 ( -7.038 7.437 4.434) 11.158 10.095 ( -4.369 1.649 4.466) 6.462 10.413 ( -0.528 8.969 -2.289) 9.272 10.731 ( 5.999 8.088 -1.950) 10.257 10.885 ( -2.481 -4.208 2.374) 5.431 11.247 ( -4.266 -0.588 -5.399) 6.905 11.340 ( 6.109 -2.221 -2.829) 7.090 11.510 ( 7.659 -2.698 -6.366) 10.318 11.701 ( -3.128 5.037 6.810) 9.030 11.961 ( -2.460 -4.337 5.260) 7.247 12.167 ( 6.359 6.602 8.603) 12.571 12.253 ( -2.229 3.595 -7.125) 8.286 12.548 ( -4.565 1.876 3.681) 6.157 12.592 ( 2.529 3.293 0.689) 4.209 12.799 ( 1.261 6.707 -10.228) 12.296 12.943 ( 1.375 4.206 -4.577) 6.366 13.373 ( 2.235 -3.021 1.371) 4.000 13.406 ( -4.082 -5.063 -0.674) 6.538 13.599 ( 0.483 -3.767 3.579) 5.219 13.656 ( -4.159 -1.697 -0.035) 4.493 14.421 ( -2.282 0.985 -1.051) 2.698 14.532 ( 2.746 -4.390 -3.513) 6.257 14.734 ( -3.664 -4.021 2.972) 6.199 14.898 ( -1.834 -8.206 -0.657) 8.434 15.100 ( -1.006 0.299 -5.491) 5.590 15.149 ( -5.588 -13.364 -8.254) 16.672 15.885 ( -0.006 -1.045 9.449) 9.506 16.060 ( 6.633 4.806 3.605) 8.949 16.262 ( -1.730 3.670 -4.520) 6.074 16.425 ( -4.572 -6.012 -7.723) 10.802 16.953 ( 0.131 -1.434 -0.059) 1.441 17.036 ( 1.731 -2.419 -3.518) 4.607 17.181 ( -4.813 -7.588 -0.549) 9.002 17.356 ( 5.261 -2.775 4.778) 7.630 19.772 ( 1.202 -0.918 5.452) 5.658 19.781 ( -3.311 -3.489 -0.560) 4.843 20.800 ( 0.083 14.252 2.079) 14.403 20.996 ( 0.703 10.560 -2.504) 10.876 21.591 ( 0.290 -14.931 2.435) 15.131 22.071 ( 3.410 -11.615 -1.833) 12.243 22.988 ( -0.893 7.751 1.193) 7.893 23.260 ( 2.333 3.722 -1.857) 4.769 26.878 ( 0.491 -10.378 0.641) 10.410 26.970 ( -3.005 -17.286 -4.419) 18.093 29.106 ( -0.571 19.006 1.636) 19.085 29.232 ( 3.077 13.131 0.961) 13.521 29.995 ( -6.723 -15.586 0.263) 16.976 30.311 ( -1.799 -2.813 -2.619) 4.244 30.339 ( -3.455 -0.631 -2.800) 4.492 31.039 ( -2.057 -2.668 0.405) 3.393 31.053 ( 0.698 -1.270 -1.182) 1.870 31.446 ( 8.282 5.931 -0.973) 10.233 31.705 ( 3.221 12.366 -0.397) 12.784 32.054 ( 10.142 -4.451 -2.382) 11.329 32.282 ( 2.633 -12.771 0.034) 13.040 32.972 ( 50.650 7.685 -28.783) 58.761 33.057 ( -3.863 2.216 -0.227) 4.459 33.473 ( 3.132 4.900 -9.545) 11.177 34.974 ( -0.925 0.842 4.388) 4.563 35.001 ( -2.671 2.482 4.331) 5.661 35.090 ( -6.816 -0.682 1.123) 6.941 35.189 ( -5.923 2.666 2.847) 7.092 35.305 ( -3.193 0.591 4.029) 5.175 35.473 ( 2.319 -5.308 -0.387) 5.805 36.184 ( -47.500 -7.130 20.372) 52.174 37.994 ( 14.865 9.965 2.811) 18.116 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.230 -14.877 9.688) 18.815 1.714 ( -2.258 -17.929 4.467) 18.614 1.928 ( 6.855 -2.244 -7.342) 10.293 2.114 ( 13.436 3.999 -1.226) 14.072 2.311 ( 4.969 -7.836 -5.114) 10.595 2.650 ( 1.009 -1.721 3.252) 3.815 2.715 ( -1.769 -1.823 2.472) 3.544 2.816 ( 4.455 -8.251 1.305) 9.467 3.020 ( 7.234 -2.456 -9.392) 12.107 3.118 ( 9.282 -8.290 -0.572) 12.458 3.272 ( 1.957 5.153 -5.705) 7.933 3.292 ( 3.015 4.070 -2.861) 5.817 3.449 ( 0.249 2.154 -0.936) 2.362 3.507 ( 2.327 2.183 1.343) 3.462 3.643 ( -3.396 3.474 6.577) 8.176 3.779 ( -1.848 -0.089 -2.480) 3.094 3.992 ( -4.852 2.893 -0.285) 5.656 4.084 ( 0.719 -2.683 -1.765) 3.291 4.271 ( -3.588 -0.970 6.920) 7.855 4.393 ( -13.538 -5.109 -3.255) 14.832 4.613 ( 6.838 -1.769 3.849) 8.044 4.807 ( 1.761 1.849 3.220) 4.109 5.020 ( -2.237 -1.836 -3.090) 4.234 5.189 ( -0.571 8.833 -2.901) 9.314 5.391 ( -1.217 -3.163 -0.865) 3.497 5.436 ( 8.608 -2.329 1.907) 9.119 5.583 ( 4.867 -3.484 3.722) 7.048 5.652 ( 4.836 -1.763 -2.161) 5.582 5.727 ( -3.557 3.089 0.995) 4.815 5.920 ( -4.121 8.549 0.874) 9.531 7.608 ( -0.043 3.983 -0.156) 3.986 7.699 ( 0.171 2.438 1.635) 2.940 7.833 ( -4.874 4.672 -4.358) 8.036 8.028 ( 3.826 -2.340 8.546) 9.651 8.730 ( -0.060 3.793 0.365) 3.811 8.846 ( -6.203 0.104 -3.227) 6.993 8.982 ( 2.397 2.672 4.694) 5.909 9.053 ( 4.776 5.105 -1.639) 7.180 9.167 ( 1.050 -0.026 1.325) 1.690 9.297 ( 0.965 3.056 -4.827) 5.794 9.709 ( 5.108 -6.332 -3.760) 8.962 9.753 ( -1.948 -3.490 -6.638) 7.749 9.803 ( -0.597 5.771 5.960) 8.318 10.049 ( 3.063 6.572 6.474) 9.720 10.233 ( -2.214 7.492 -0.569) 7.833 10.630 ( 6.092 6.884 -0.055) 9.193 10.966 ( -2.148 -3.929 3.151) 5.475 11.214 ( -4.868 -2.394 -1.575) 5.649 11.419 ( 4.787 -2.615 -6.145) 8.217 11.578 ( 4.263 0.192 4.268) 6.036 11.666 ( -0.248 -2.277 1.067) 2.526 12.039 ( -1.584 -2.756 2.672) 4.153 12.116 ( -0.955 3.987 -6.928) 8.050 12.162 ( 6.531 4.665 6.901) 10.585 12.468 ( -3.160 5.464 4.194) 7.578 12.557 ( -0.561 1.192 -3.759) 3.983 12.665 ( 0.910 3.509 -4.550) 5.818 12.823 ( 0.304 5.898 -4.943) 7.701 13.400 ( -5.447 -3.113 -3.841) 7.357 13.515 ( -0.217 -3.775 5.741) 6.874 13.660 ( -2.106 -4.215 0.570) 4.746 13.728 ( 6.209 -3.858 2.965) 7.888 14.371 ( -9.096 -3.866 -5.045) 11.097 14.644 ( 7.971 4.637 0.394) 9.230 14.763 ( -3.296 -4.402 1.136) 5.615 15.012 ( -3.860 -6.123 -1.097) 7.321 15.138 ( 0.617 -9.390 -2.742) 9.801 15.282 ( -4.778 -9.911 -3.944) 11.688 15.899 ( 4.680 5.233 8.918) 11.350 16.147 ( -0.888 2.920 -5.919) 6.660 16.200 ( 3.966 -8.619 7.177) 11.896 16.378 ( -7.887 -1.081 -9.622) 12.488 16.982 ( -0.530 -2.122 -1.508) 2.657 17.065 ( 2.087 -1.672 -1.552) 3.092 17.299 ( -2.935 -7.561 -0.687) 8.139 17.442 ( 1.288 -0.954 3.783) 4.109 19.816 ( -0.812 -1.529 2.617) 3.137 19.853 ( -2.763 -8.401 -2.529) 9.198 20.544 ( -0.106 15.460 2.382) 15.643 20.760 ( 1.880 14.204 -2.576) 14.557 21.908 ( 0.821 -17.731 2.567) 17.934 22.320 ( 2.547 -14.193 -2.127) 14.576 22.831 ( -1.470 9.560 2.223) 9.924 23.172 ( 2.763 7.265 -1.539) 7.924 27.149 ( 0.165 -18.091 2.698) 18.292 27.242 ( -4.806 -19.390 -5.659) 20.763 28.723 ( -2.197 22.574 -0.649) 22.690 28.971 ( 6.592 19.423 1.619) 20.575 30.230 ( -1.349 -11.050 0.241) 11.135 30.302 ( -2.999 -1.975 -1.349) 3.836 30.407 ( -2.833 -11.172 -3.301) 11.989 31.065 ( -3.272 -3.616 -4.216) 6.446 31.111 ( -0.153 -2.871 3.773) 4.744 31.354 ( 3.511 8.052 0.027) 8.784 31.504 ( 4.021 12.378 -0.615) 13.029 32.186 ( 15.180 -1.533 -6.668) 16.651 32.558 ( 2.293 -14.574 1.473) 14.827 32.953 ( 12.953 8.762 -7.792) 17.472 32.980 ( 3.586 4.972 -3.834) 7.230 33.343 ( 3.863 6.569 -7.954) 11.015 34.935 ( -5.341 1.726 2.431) 6.117 34.943 ( -6.825 2.902 7.357) 10.446 35.108 ( -0.341 -2.223 2.676) 3.496 35.167 ( -4.315 -0.693 5.499) 7.024 35.283 ( -3.892 0.598 2.820) 4.844 35.537 ( 0.525 -0.217 2.907) 2.962 36.220 ( -20.407 -17.731 1.693) 27.086 37.854 ( 11.863 18.077 1.256) 21.658 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -4.352 -7.994 3.155) 9.633 1.907 ( 4.278 0.814 -4.338) 6.147 2.001 ( -1.184 -5.589 0.467) 5.732 2.078 ( 2.206 -4.806 -3.419) 6.297 2.342 ( 1.130 7.642 -1.060) 7.797 2.607 ( -6.069 -1.632 -1.882) 6.561 2.739 ( 2.713 -0.751 0.075) 2.816 2.957 ( 0.375 1.006 -0.313) 1.119 3.139 ( 7.044 -1.662 -5.192) 8.907 3.176 ( 6.177 0.520 -5.593) 8.349 3.306 ( 2.374 -3.157 -3.892) 5.545 3.325 ( 13.109 -1.444 -1.413) 13.264 3.429 ( 2.390 -2.103 0.033) 3.184 3.511 ( 4.941 0.393 2.086) 5.378 3.604 ( -1.717 1.846 4.673) 5.310 3.773 ( 2.773 1.071 0.740) 3.064 3.903 ( -6.194 0.905 0.394) 6.272 4.102 ( -2.929 -1.150 -3.449) 4.669 4.294 ( -5.818 -3.209 4.253) 7.889 4.412 ( -1.541 -4.117 -4.078) 5.996 4.712 ( -0.237 -3.312 2.499) 4.155 4.804 ( 2.628 2.165 4.868) 5.941 5.005 ( -5.643 -2.342 -2.703) 6.681 5.060 ( -0.573 3.557 0.533) 3.642 5.359 ( -0.892 8.709 1.924) 8.963 5.418 ( -0.079 -0.585 -2.294) 2.369 5.606 ( -1.835 4.366 3.380) 5.818 5.674 ( 4.050 0.606 -2.617) 4.860 5.784 ( -3.157 1.842 3.547) 5.093 5.928 ( 11.754 -10.953 4.251) 16.620 7.431 ( -5.462 8.507 -2.242) 10.356 7.615 ( -8.910 5.370 -4.720) 11.424 7.756 ( 1.706 -0.072 -0.009) 1.708 8.180 ( 8.548 -3.813 6.658) 11.486 8.662 ( -4.550 1.947 -0.933) 5.037 8.791 ( -1.719 -0.627 -3.507) 3.956 8.946 ( 2.074 5.955 3.363) 7.146 9.011 ( 4.557 3.899 2.512) 6.502 9.169 ( -3.109 3.974 -6.821) 8.485 9.198 ( 1.133 -0.257 1.706) 2.064 9.701 ( 1.655 3.397 1.227) 3.973 9.763 ( -3.929 -4.906 -7.047) 9.443 9.831 ( 5.936 3.574 1.792) 7.157 10.031 ( 1.775 -1.975 2.951) 3.970 10.122 ( -2.416 4.522 2.913) 5.897 10.577 ( 4.846 4.291 -1.275) 6.597 11.000 ( -2.360 -0.250 3.376) 4.127 11.249 ( -3.786 -5.093 0.068) 6.347 11.379 ( 0.020 3.863 -3.016) 4.900 11.680 ( 1.661 -2.880 6.203) 7.037 11.733 ( 2.111 -3.216 -0.330) 3.861 11.958 ( 1.036 5.783 -5.352) 7.948 12.143 ( -0.728 -4.822 0.660) 4.921 12.186 ( 4.588 0.889 4.283) 6.339 12.354 ( -0.703 5.459 -1.412) 5.683 12.544 ( -1.471 -3.014 0.120) 3.356 12.598 ( 2.776 6.452 -3.445) 7.823 12.723 ( -0.951 1.536 -1.732) 2.502 13.416 ( -2.114 -4.838 0.364) 5.292 13.563 ( -5.186 -3.516 -1.286) 6.397 13.772 ( 0.397 -5.273 2.765) 5.967 13.812 ( 5.422 1.567 2.213) 6.062 14.355 ( -5.653 0.548 -11.240) 12.594 14.460 ( -0.367 8.499 5.643) 10.208 14.904 ( 1.678 -7.113 -0.325) 7.315 15.110 ( -2.828 -5.745 2.156) 6.756 15.243 ( 1.176 -2.602 -0.453) 2.891 15.396 ( -1.414 -7.192 -0.883) 7.383 15.923 ( 4.493 2.302 8.041) 9.495 16.078 ( -0.171 2.064 -0.696) 2.184 16.219 ( -7.981 2.029 -9.175) 12.328 16.489 ( 4.832 -12.617 1.908) 13.645 17.003 ( -0.608 -2.393 -3.589) 4.356 17.112 ( 2.652 -1.588 0.780) 3.188 17.367 ( -3.295 -2.386 -0.795) 4.146 17.462 ( 0.022 0.448 3.593) 3.621 19.866 ( -1.357 -5.069 -0.728) 5.298 19.999 ( -0.552 -10.590 -3.841) 11.279 20.291 ( -0.922 13.373 2.933) 13.722 20.521 ( 2.840 13.054 -1.756) 13.475 22.237 ( 0.687 -16.521 2.751) 16.762 22.570 ( 1.598 -13.212 -2.950) 13.632 22.654 ( -2.416 10.190 3.351) 10.995 23.027 ( 2.345 10.393 -1.393) 10.745 27.513 ( -2.524 -19.996 0.016) 20.155 27.534 ( -2.048 -21.071 -0.689) 21.181 28.278 ( -1.600 24.829 -1.367) 24.918 28.709 ( 9.027 17.055 0.755) 19.312 30.317 ( -2.023 -3.232 0.809) 3.898 30.329 ( -4.198 -2.851 0.265) 5.082 30.661 ( 2.788 -16.457 -3.638) 17.084 31.080 ( -3.091 -3.622 -3.881) 6.143 31.145 ( 0.396 1.910 1.071) 2.225 31.223 ( -0.081 7.255 -2.226) 7.589 31.344 ( 2.025 8.106 2.396) 8.692 32.227 ( 15.819 7.182 -7.765) 19.029 32.774 ( 0.433 -0.992 3.324) 3.496 32.855 ( 2.860 3.891 -5.078) 7.008 32.930 ( -3.050 -7.537 -1.259) 8.228 33.215 ( 3.607 7.971 -3.134) 9.293 34.888 ( -7.472 1.597 7.510) 10.714 34.893 ( -4.068 0.265 2.257) 4.660 35.165 ( 0.888 -2.106 1.963) 3.013 35.180 ( -2.951 0.468 7.730) 8.287 35.265 ( -3.710 -0.648 0.961) 3.887 35.541 ( -0.150 1.184 2.265) 2.560 36.466 ( -6.813 -21.483 -4.787) 23.041 37.582 ( 8.559 20.454 -0.649) 22.182 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -10.170 12.112 0.220) 15.817 1.797 ( 2.395 16.909 -3.427) 17.418 2.087 ( 0.337 -9.439 1.452) 9.556 2.174 ( 0.726 7.390 -0.403) 7.436 2.316 ( -1.107 -11.417 1.908) 11.628 2.620 ( 0.534 -2.943 -6.372) 7.039 2.765 ( 6.324 4.278 0.529) 7.653 2.860 ( -2.721 4.677 -2.088) 5.800 3.075 ( 5.022 5.879 -7.191) 10.559 3.189 ( 2.487 1.512 -8.684) 9.158 3.270 ( -0.597 3.387 -0.699) 3.510 3.405 ( 13.266 3.670 -0.146) 13.765 3.482 ( -0.527 2.692 2.054) 3.427 3.527 ( -3.045 2.775 0.759) 4.189 3.583 ( -0.842 0.451 2.940) 3.091 3.815 ( 4.589 -0.066 3.416) 5.721 3.906 ( -5.518 -5.087 1.991) 7.764 4.064 ( -2.522 -2.673 -7.695) 8.527 4.331 ( -6.174 -1.853 3.081) 7.144 4.417 ( 2.175 0.770 -2.680) 3.537 4.723 ( -8.837 -2.376 3.132) 9.672 4.861 ( 6.155 -1.796 -0.177) 6.415 4.979 ( -1.450 1.409 0.294) 2.043 5.084 ( -1.357 -7.573 0.151) 7.695 5.287 ( -1.891 0.160 6.088) 6.377 5.382 ( -1.232 2.699 0.740) 3.058 5.539 ( -1.538 2.616 3.460) 4.602 5.661 ( 2.979 1.924 -2.214) 4.180 5.801 ( 0.558 -1.197 0.478) 1.404 6.196 ( 8.844 -7.130 0.896) 11.395 7.272 ( -4.010 4.093 1.675) 5.970 7.440 ( -6.382 3.835 -2.306) 7.795 7.791 ( 2.939 -2.352 -1.165) 3.941 8.294 ( 4.817 0.785 -0.778) 4.942 8.615 ( -3.992 -2.247 -0.545) 4.613 8.768 ( 2.824 2.837 -1.002) 4.127 8.907 ( -1.179 0.449 3.122) 3.367 8.973 ( 2.023 5.363 3.201) 6.565 9.078 ( -0.805 -0.016 -4.230) 4.306 9.203 ( 1.438 0.647 -1.343) 2.071 9.721 ( 1.987 -1.489 4.255) 4.927 9.769 ( 3.604 5.413 0.959) 6.573 9.800 ( -4.166 -6.607 -6.315) 10.044 10.047 ( -1.964 4.122 3.608) 5.820 10.140 ( -0.938 -6.772 0.427) 6.850 10.504 ( 0.977 5.138 -2.731) 5.900 11.008 ( -1.454 -0.683 3.566) 3.911 11.303 ( -3.044 -3.536 -0.611) 4.706 11.318 ( -0.727 0.714 -0.640) 1.204 11.688 ( 1.007 3.714 2.292) 4.479 11.814 ( 0.960 -1.103 4.599) 4.826 11.840 ( -1.082 4.543 -4.180) 6.267 12.214 ( 3.658 0.172 1.575) 3.986 12.236 ( 0.192 -2.737 -1.105) 2.958 12.300 ( -0.994 -1.550 -1.869) 2.623 12.446 ( 3.222 8.280 -3.612) 9.591 12.633 ( -0.194 -6.763 0.375) 6.776 12.721 ( -1.746 -2.494 0.030) 3.044 13.534 ( 0.735 -0.271 4.669) 4.734 13.574 ( -0.110 -6.969 -3.067) 7.615 13.757 ( -2.665 4.372 -0.654) 5.162 13.858 ( -1.170 -1.618 0.950) 2.211 14.113 ( -0.029 11.650 -2.494) 11.914 14.483 ( -0.140 -1.768 0.407) 1.819 14.997 ( -0.977 -0.039 2.419) 2.609 15.133 ( 2.263 -2.718 -5.015) 6.137 15.348 ( -2.836 -8.174 2.967) 9.147 15.499 ( 1.888 -3.634 2.515) 4.806 15.872 ( -0.614 9.201 -0.447) 9.232 16.015 ( 0.191 6.641 2.628) 7.145 16.150 ( -2.301 -4.336 -2.534) 5.524 16.747 ( 4.723 -11.335 -1.266) 12.345 17.018 ( -0.047 -2.079 -5.057) 5.468 17.162 ( 2.611 -0.519 2.541) 3.680 17.315 ( -3.672 3.461 -1.468) 5.256 17.489 ( 0.276 -0.593 3.613) 3.672 19.952 ( 2.736 0.456 -2.561) 3.776 20.022 ( 0.215 2.873 -1.315) 3.167 20.264 ( -0.909 -10.911 -0.725) 10.973 20.334 ( 1.492 7.697 -0.024) 7.841 22.423 ( -2.431 10.718 2.335) 11.236 22.541 ( -0.711 -11.632 2.066) 11.836 22.797 ( 1.028 -10.277 -2.354) 10.593 22.828 ( 1.240 10.917 -0.511) 10.999 27.807 ( 1.714 18.396 1.171) 18.512 27.834 ( -2.598 -17.547 -2.329) 17.890 27.944 ( -3.025 -19.375 1.211) 19.647 28.514 ( 9.699 12.614 -2.993) 16.190 30.315 ( -3.272 1.321 0.828) 3.624 30.373 ( -2.452 -3.335 2.276) 4.724 30.875 ( 3.862 -3.439 -4.586) 6.912 30.999 ( 1.731 11.566 -1.896) 11.848 31.136 ( -3.004 -5.714 -5.750) 8.645 31.152 ( 0.934 -2.507 0.636) 2.750 31.279 ( -1.895 1.836 4.699) 5.389 32.073 ( 8.773 14.214 -8.122) 18.573 32.687 ( -1.818 7.967 3.888) 9.050 32.839 ( 1.441 -2.325 -3.818) 4.697 33.063 ( -0.372 6.934 -1.028) 7.020 33.141 ( 0.974 -10.839 -0.510) 10.895 34.863 ( -5.857 -0.192 6.338) 8.632 34.888 ( -2.594 -0.795 2.739) 3.855 35.185 ( -0.018 1.739 6.067) 6.312 35.220 ( -1.315 -2.108 4.403) 5.056 35.255 ( -4.428 -1.153 0.484) 4.601 35.528 ( -0.847 0.934 1.877) 2.261 36.789 ( 0.524 -20.069 -6.480) 21.095 37.292 ( 4.616 15.988 -1.109) 16.678 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -4.255 17.085 11.039) 20.781 1.453 ( -2.721 19.903 1.092) 20.118 2.096 ( 1.027 5.095 5.354) 7.462 2.226 ( -2.293 -5.902 -2.332) 6.748 2.397 ( 3.248 7.178 0.427) 7.890 2.593 ( 7.330 19.220 1.294) 20.611 2.654 ( 2.397 7.050 -4.494) 8.697 2.686 ( -0.262 2.806 -4.091) 4.968 2.996 ( 3.172 0.551 -6.706) 7.439 3.141 ( -0.646 -0.733 -6.725) 6.795 3.175 ( 2.730 6.289 -2.385) 7.259 3.350 ( -1.674 9.466 -3.683) 10.294 3.358 ( -3.387 1.657 5.619) 6.767 3.493 ( -1.978 -3.334 0.988) 4.001 3.672 ( 5.767 -5.339 -0.401) 7.869 3.836 ( -3.748 -2.327 -1.182) 4.567 3.971 ( -3.156 -4.051 1.325) 5.304 4.099 ( 2.207 -4.292 -6.086) 7.768 4.299 ( -1.625 1.625 1.251) 2.617 4.421 ( -2.046 0.096 2.615) 3.321 4.773 ( -5.323 -7.050 3.236) 9.408 4.912 ( -0.332 -1.891 -2.899) 3.477 4.966 ( 2.130 0.059 2.580) 3.346 5.215 ( 4.138 -0.265 3.565) 5.469 5.305 ( -1.042 6.985 4.673) 8.469 5.387 ( -4.148 -11.410 0.740) 12.163 5.504 ( -0.436 2.473 1.073) 2.731 5.632 ( 1.201 2.118 -1.816) 3.038 5.827 ( 0.112 -3.445 -3.382) 4.829 6.277 ( -1.298 -0.326 -6.549) 6.684 7.251 ( -0.735 -0.124 8.201) 8.235 7.396 ( 3.162 0.471 5.779) 6.604 7.863 ( 2.653 -3.421 -1.794) 4.686 8.227 ( -0.216 4.509 -5.363) 7.010 8.647 ( -2.417 -1.061 1.429) 3.001 8.754 ( 3.217 -0.078 -0.764) 3.308 8.896 ( -2.343 0.619 4.605) 5.204 8.938 ( -0.565 1.566 3.272) 3.671 9.084 ( 0.519 -2.105 -2.680) 3.448 9.216 ( -0.135 -2.741 -2.463) 3.688 9.686 ( 1.349 2.842 -1.877) 3.663 9.799 ( 3.082 0.880 -1.146) 3.404 9.871 ( 0.359 -3.275 1.678) 3.697 10.023 ( -5.562 -4.828 3.340) 8.087 10.199 ( -1.473 -0.218 -0.327) 1.524 10.457 ( 1.157 -3.241 -2.913) 4.509 11.044 ( -1.548 -2.068 3.604) 4.434 11.315 ( -2.909 -1.314 -2.192) 3.872 11.337 ( -0.069 -2.938 -1.065) 3.125 11.629 ( 0.802 4.280 -0.189) 4.358 11.748 ( -2.250 2.005 1.200) 3.244 11.823 ( -0.413 2.649 2.854) 3.915 12.091 ( 2.544 12.504 -1.529) 12.852 12.294 ( -2.199 -4.327 -3.174) 5.799 12.354 ( 1.286 -3.540 2.298) 4.412 12.424 ( 3.467 -2.481 -0.211) 4.269 12.741 ( -0.137 -6.026 -2.719) 6.613 12.799 ( -1.291 -7.973 -2.713) 8.520 13.472 ( -1.392 6.243 3.237) 7.169 13.572 ( -0.700 6.799 -1.817) 7.073 13.801 ( 0.358 -5.994 0.456) 6.022 13.832 ( 1.227 0.251 1.494) 1.949 13.979 ( 0.186 4.278 -0.254) 4.290 14.478 ( 1.249 3.164 2.271) 4.090 14.907 ( -1.224 7.112 2.170) 7.536 15.271 ( 4.868 -8.806 -5.578) 11.505 15.434 ( -3.971 -3.054 -2.365) 5.539 15.517 ( -3.758 4.198 -2.552) 6.185 15.724 ( 2.929 6.475 7.008) 9.981 15.893 ( 0.305 6.956 4.315) 8.191 16.234 ( -0.420 -6.173 -1.738) 6.427 16.921 ( 1.720 -6.623 -5.346) 8.683 17.007 ( -0.185 -0.310 -7.041) 7.051 17.190 ( 0.716 1.594 2.664) 3.186 17.209 ( -0.367 4.358 -0.191) 4.377 17.515 ( 1.396 0.535 1.988) 2.487 19.803 ( 2.176 10.357 1.787) 10.733 20.035 ( 6.884 5.350 -6.887) 11.110 20.304 ( -3.039 -8.432 3.118) 9.490 20.519 ( 0.070 -15.778 -2.113) 15.919 22.166 ( -4.420 15.190 2.959) 16.095 22.552 ( 2.254 14.628 -2.208) 14.964 22.781 ( -2.841 -10.633 1.266) 11.078 22.999 ( 1.296 -10.400 -1.980) 10.666 27.418 ( 0.334 20.758 0.635) 20.771 28.162 ( -3.274 -13.845 -6.949) 15.833 28.278 ( 1.714 -11.721 -4.521) 12.679 28.423 ( 6.449 -7.694 1.011) 10.090 30.238 ( 0.928 7.263 3.769) 8.235 30.397 ( -3.107 0.806 3.056) 4.432 30.775 ( -0.702 11.586 -1.876) 11.758 30.812 ( 3.391 7.666 -3.449) 9.064 31.209 ( 0.649 -5.532 -3.356) 6.503 31.243 ( -1.083 -4.291 2.436) 5.052 31.314 ( 1.647 -3.505 0.540) 3.910 31.847 ( 6.422 9.991 -9.887) 15.453 32.542 ( -0.022 10.360 5.210) 11.596 32.795 ( 1.927 9.598 -2.273) 10.049 32.989 ( -0.836 -2.177 1.335) 2.687 33.329 ( 1.017 -10.102 -4.930) 11.286 34.874 ( -4.010 -1.492 5.611) 7.056 34.905 ( -2.022 -1.120 3.394) 4.106 35.184 ( -0.306 1.845 5.560) 5.866 35.243 ( -3.639 -0.906 0.252) 3.759 35.269 ( -3.114 -2.189 4.937) 6.233 35.521 ( -2.690 0.026 3.561) 4.463 36.966 ( -0.373 4.089 0.026) 4.106 37.224 ( 2.938 -13.113 -5.278) 14.438 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.615 21.394 10.561) 23.913 1.150 ( 9.243 16.976 19.404) 27.389 1.803 ( -3.475 35.353 -2.273) 35.596 2.075 ( -4.362 8.045 6.435) 11.187 2.261 ( 4.194 11.960 -1.630) 12.778 2.374 ( 7.537 4.357 1.872) 8.905 2.590 ( 6.047 1.595 -2.048) 6.581 2.736 ( 1.326 -3.367 -0.938) 3.738 3.010 ( 5.970 0.377 0.436) 5.998 3.077 ( 0.706 2.121 -4.323) 4.866 3.167 ( 2.007 0.119 -4.941) 5.335 3.176 ( 0.197 0.372 -5.527) 5.543 3.405 ( 1.321 -1.424 3.180) 3.726 3.571 ( -3.945 -7.013 2.084) 8.313 3.771 ( -3.083 -3.785 -6.443) 8.083 3.879 ( 4.682 -4.322 -2.238) 6.753 3.998 ( -6.524 -2.270 0.421) 6.921 4.162 ( 0.521 -3.748 -0.458) 3.812 4.294 ( -0.380 -1.449 1.838) 2.371 4.393 ( -4.314 1.096 0.986) 4.559 4.853 ( -0.920 -1.718 -1.518) 2.470 4.863 ( -7.915 1.119 -0.740) 8.028 5.050 ( 9.239 1.420 4.166) 10.234 5.126 ( -3.570 11.831 2.930) 12.700 5.260 ( 0.325 -2.800 4.839) 5.600 5.443 ( -1.582 4.074 0.700) 4.426 5.523 ( -2.862 -5.120 -5.509) 8.047 5.613 ( 1.651 -2.280 -3.851) 4.770 5.913 ( -1.230 -7.730 -2.803) 8.314 6.181 ( -6.300 -0.051 -8.503) 10.582 7.334 ( 0.105 -2.992 12.164) 12.527 7.515 ( 9.249 -1.377 12.774) 15.831 7.894 ( -1.871 -0.772 -2.669) 3.349 8.116 ( -2.600 3.588 -4.334) 6.198 8.625 ( 2.790 2.225 3.441) 4.957 8.831 ( 2.561 -2.519 3.103) 4.747 8.887 ( 2.770 2.950 1.558) 4.336 8.942 ( -5.686 -3.831 3.354) 7.633 9.114 ( 1.079 -1.200 -0.690) 1.755 9.240 ( 0.324 -1.445 -6.123) 6.299 9.671 ( 2.335 -0.014 0.466) 2.381 9.748 ( 3.109 4.790 -3.073) 6.485 9.917 ( -0.244 -2.666 4.345) 5.103 10.121 ( -5.562 -6.203 -2.998) 8.854 10.253 ( -0.696 -8.323 5.033) 9.752 10.556 ( 0.776 -7.563 -5.035) 9.119 11.075 ( -3.871 -0.936 0.723) 4.047 11.279 ( -2.753 0.617 -4.528) 5.335 11.371 ( 1.094 -0.209 -0.794) 1.368 11.554 ( 0.236 1.941 -5.545) 5.879 11.730 ( -2.187 5.442 -0.854) 5.927 11.791 ( 0.967 -3.333 8.931) 9.582 11.944 ( 2.510 6.372 5.809) 8.981 12.310 ( -2.044 -2.212 -5.054) 5.883 12.436 ( 2.308 -1.936 3.227) 4.414 12.508 ( 1.082 -4.103 1.001) 4.360 12.830 ( 2.213 -5.990 -6.598) 9.182 12.912 ( -1.507 -7.715 -4.429) 9.022 13.360 ( -0.098 6.166 2.753) 6.754 13.501 ( 0.009 1.719 4.873) 5.167 13.720 ( -5.053 3.253 -5.181) 7.934 13.849 ( -1.378 5.201 -2.569) 5.962 14.072 ( 12.182 -5.977 8.984) 16.274 14.436 ( 0.725 3.205 2.400) 4.069 14.793 ( 0.040 6.954 2.884) 7.529 15.249 ( -4.613 11.579 -4.606) 13.288 15.306 ( -0.518 3.561 -5.994) 6.991 15.544 ( 0.578 -2.446 -6.617) 7.078 15.639 ( 4.228 4.432 7.400) 9.606 15.910 ( -1.804 -2.587 7.126) 7.792 16.320 ( -1.516 -5.578 -4.021) 7.042 16.905 ( -4.328 2.183 -15.649) 16.383 16.959 ( 0.860 1.410 -3.543) 3.910 17.123 ( -0.085 2.632 -2.439) 3.589 17.195 ( 4.599 4.204 4.618) 7.756 17.479 ( 0.894 5.764 -2.659) 6.410 19.687 ( 2.488 6.364 3.834) 7.835 19.915 ( 4.698 7.566 -4.064) 9.789 20.522 ( -1.979 -14.674 2.154) 14.963 20.788 ( 0.539 -15.279 -2.496) 15.491 21.866 ( -4.713 16.280 3.479) 17.302 22.284 ( 2.516 15.501 -2.058) 15.838 22.922 ( -4.655 -7.820 -0.638) 9.123 23.159 ( 1.160 -7.841 -2.685) 8.369 27.097 ( 0.208 15.980 0.614) 15.993 27.855 ( -11.033 19.997 -28.147) 36.247 28.657 ( 3.205 -22.218 3.970) 22.796 28.814 ( 4.595 -22.506 2.650) 23.122 30.190 ( 14.980 5.554 8.701) 18.192 30.309 ( -5.272 7.797 4.598) 10.475 30.547 ( -2.244 10.827 -1.358) 11.141 30.728 ( 10.947 6.227 0.240) 12.596 31.201 ( 2.390 4.797 -3.999) 6.687 31.348 ( -4.485 -6.042 1.160) 7.614 31.442 ( 0.131 -11.758 0.613) 11.775 31.747 ( 20.460 5.361 -13.778) 25.242 32.382 ( 3.742 12.357 4.971) 13.835 32.590 ( 2.940 13.155 0.981) 13.515 33.056 ( 0.013 -4.116 -1.015) 4.239 33.457 ( 1.421 -7.207 -6.967) 10.124 34.907 ( -1.579 -1.139 4.203) 4.632 34.933 ( -2.453 -1.456 4.729) 5.522 35.180 ( -3.529 -0.434 3.552) 5.026 35.244 ( -0.143 -0.447 1.330) 1.411 35.295 ( -6.032 -1.477 4.320) 7.565 35.519 ( -3.712 0.361 4.353) 5.732 36.871 ( -20.584 -2.189 10.233) 23.091 37.510 ( 7.650 -14.749 -6.248) 17.751 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 10.759 0.000 10.391) 14.958 1.367 ( 18.220 0.000 10.485) 21.022 1.805 ( 11.946 0.000 -13.256) 17.844 2.069 ( 9.509 0.000 -8.968) 13.071 2.139 ( 19.006 0.000 5.167) 19.696 2.576 ( -7.558 -0.000 6.653) 10.069 2.627 ( 11.997 0.000 -6.343) 13.571 2.711 ( 3.363 0.000 0.569) 3.411 2.943 ( -3.552 -0.000 0.850) 3.652 3.089 ( -0.692 -0.000 -2.525) 2.618 3.393 ( 2.898 0.000 -8.624) 9.097 3.409 ( 7.848 0.000 0.606) 7.871 3.532 ( -1.690 -0.000 3.833) 4.189 3.548 ( -2.542 -0.000 -1.916) 3.183 3.725 ( -7.186 -0.000 -5.502) 9.050 3.759 ( -6.236 -0.000 10.737) 12.417 3.975 ( -2.298 -0.000 4.046) 4.653 4.009 ( -3.006 -0.000 -6.758) 7.397 4.227 ( -1.273 -0.000 6.167) 6.297 4.228 ( -23.119 -0.000 0.894) 23.137 4.611 ( 11.704 0.000 0.824) 11.733 4.867 ( 8.972 0.000 3.269) 9.549 5.096 ( 7.294 0.000 3.845) 8.245 5.185 ( 11.581 0.000 -1.505) 11.678 5.330 ( 0.053 0.000 -0.723) 0.725 5.447 ( -0.076 -0.000 -5.398) 5.398 5.465 ( -1.628 -0.000 -2.458) 2.948 5.588 ( 0.775 0.000 2.012) 2.156 5.924 ( -4.101 -0.000 2.142) 4.626 6.102 ( -1.605 -0.000 -1.891) 2.481 7.660 ( 2.602 0.000 4.152) 4.900 7.795 ( 2.062 0.000 -0.591) 2.145 7.909 ( 2.598 0.000 8.166) 8.569 7.980 ( -1.578 -0.000 -1.477) 2.161 8.859 ( -5.509 -0.000 -4.793) 7.303 8.874 ( 4.541 0.000 2.150) 5.024 9.012 ( 0.607 0.000 -4.338) 4.380 9.106 ( 2.518 0.000 3.114) 4.005 9.203 ( 1.132 0.000 -1.916) 2.226 9.335 ( 9.309 0.000 3.179) 9.837 9.510 ( 1.974 0.000 -5.307) 5.663 9.715 ( 1.798 0.000 -0.836) 1.983 9.959 ( -7.645 -0.000 3.049) 8.230 10.105 ( -2.235 -0.000 8.654) 8.938 10.495 ( 3.334 0.000 -4.786) 5.833 10.826 ( 2.907 0.000 -2.250) 3.676 10.857 ( -2.513 -0.000 6.023) 6.526 11.161 ( -3.006 -0.000 -9.016) 9.504 11.376 ( 6.937 0.000 0.205) 6.940 11.497 ( 6.456 0.000 -5.986) 8.804 11.779 ( -3.011 -0.000 7.138) 7.747 11.909 ( -5.008 -0.000 4.820) 6.951 12.201 ( -4.455 -0.000 -8.254) 9.379 12.332 ( 7.205 0.000 2.851) 7.749 12.557 ( -4.408 -0.000 6.132) 7.552 12.622 ( -2.403 -0.000 -2.950) 3.805 12.846 ( 4.840 0.000 -14.693) 15.470 12.977 ( 2.247 0.000 -0.596) 2.325 13.316 ( -1.633 -0.000 -1.881) 2.491 13.413 ( 5.794 0.000 6.041) 8.371 13.565 ( -4.952 -0.000 3.402) 6.008 13.610 ( -0.812 -0.000 2.123) 2.273 14.417 ( -6.241 -0.000 -4.910) 7.940 14.459 ( -10.123 -0.000 -7.635) 12.680 14.507 ( -0.570 -0.000 -1.648) 1.744 14.899 ( -2.690 -0.000 -3.213) 4.190 14.927 ( 0.005 0.000 1.081) 1.081 15.101 ( 1.773 0.000 -2.674) 3.208 15.902 ( 1.047 0.000 9.301) 9.359 16.235 ( 5.801 0.000 -0.248) 5.806 16.271 ( -1.907 -0.000 -6.254) 6.538 16.286 ( -1.809 -0.000 0.633) 1.917 16.932 ( -0.190 -0.000 -1.107) 1.123 17.001 ( 1.863 0.000 -1.451) 2.361 17.070 ( -4.610 -0.000 -0.767) 4.674 17.407 ( 5.180 0.000 5.154) 7.307 19.698 ( -5.283 -0.000 -2.080) 5.677 19.822 ( 1.206 0.000 5.775) 5.899 20.992 ( 1.600 0.000 1.273) 2.045 21.071 ( -0.866 -0.000 -0.515) 1.007 21.449 ( 1.013 0.000 1.867) 2.124 21.972 ( 3.473 0.000 -1.656) 3.848 23.067 ( -0.465 -0.000 0.709) 0.848 23.302 ( 2.534 0.000 -1.284) 2.841 26.788 ( 0.422 0.000 -0.284) 0.509 26.796 ( 0.546 0.000 -0.234) 0.594 29.359 ( 2.739 0.000 1.601) 3.173 29.359 ( 0.119 0.000 0.253) 0.280 29.727 ( -7.750 -0.000 -1.744) 7.944 30.264 ( -1.176 -0.000 -0.933) 1.501 30.295 ( -3.061 -0.000 -3.501) 4.650 30.983 ( -1.902 -0.000 -2.248) 2.945 31.039 ( -1.065 -0.000 0.094) 1.069 31.570 ( 7.592 0.000 -0.949) 7.651 31.943 ( 6.456 0.000 1.581) 6.647 31.955 ( -0.133 -0.000 0.409) 0.430 32.168 ( 2.964 0.000 -0.847) 3.083 33.043 ( -5.274 -0.000 1.022) 5.373 33.260 ( 51.411 0.000 -41.151) 65.852 33.496 ( 6.584 0.000 -13.157) 14.712 34.981 ( -7.848 -0.000 1.512) 7.993 35.023 ( -0.764 -0.000 2.389) 2.508 35.063 ( 0.911 0.000 4.746) 4.832 35.231 ( -2.808 -0.000 -3.278) 4.316 35.268 ( -1.524 -0.000 -3.594) 3.904 35.424 ( -3.236 -0.000 13.473) 13.856 35.881 ( -47.741 -0.000 28.317) 55.508 38.217 ( 12.835 0.000 4.257) 13.523 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.472 -7.824 8.402) 13.180 1.563 ( 6.609 -3.353 4.585) 8.715 1.908 ( 13.158 -5.376 -7.310) 15.983 2.148 ( 7.053 -7.153 -8.317) 13.042 2.246 ( 9.189 1.372 -0.641) 9.313 2.591 ( -1.314 -5.406 0.880) 5.633 2.739 ( 8.684 -2.890 3.127) 9.672 2.795 ( 5.917 -0.355 -0.684) 5.967 2.947 ( 0.521 -5.598 -2.538) 6.168 3.025 ( -1.803 0.345 -4.111) 4.503 3.328 ( 0.490 1.919 -8.847) 9.066 3.383 ( 1.301 6.331 -2.629) 6.978 3.478 ( 0.114 3.433 -4.813) 5.913 3.553 ( 3.131 0.260 0.607) 3.200 3.687 ( -4.864 -1.432 2.219) 5.535 3.745 ( -2.881 1.172 4.160) 5.194 3.945 ( -10.794 -0.970 2.598) 11.144 4.042 ( 1.185 -4.013 0.431) 4.207 4.142 ( -14.586 -5.399 0.641) 15.567 4.273 ( -2.895 -1.650 8.194) 8.846 4.700 ( 10.510 1.205 1.451) 10.678 4.905 ( 5.082 3.606 3.458) 7.127 5.070 ( 3.879 6.042 0.138) 7.182 5.313 ( 0.107 6.625 -3.977) 7.728 5.327 ( 0.771 -2.634 0.110) 2.746 5.408 ( 9.524 -7.739 0.128) 12.272 5.533 ( 3.111 -5.844 -2.091) 6.943 5.626 ( 0.499 -2.308 0.488) 2.411 5.839 ( -2.767 7.790 3.899) 9.140 6.033 ( -2.068 5.686 0.339) 6.060 7.687 ( 3.605 2.559 1.685) 4.731 7.775 ( 1.303 3.619 0.489) 3.878 7.878 ( -1.819 5.573 -2.060) 6.214 8.031 ( 1.902 -3.863 4.493) 6.223 8.761 ( -6.416 0.505 -4.428) 7.811 8.855 ( -0.245 6.539 1.151) 6.644 9.019 ( 0.633 -1.736 0.557) 1.930 9.121 ( 1.919 1.618 0.966) 2.690 9.154 ( -3.194 0.580 -4.603) 5.633 9.376 ( 4.624 3.294 -0.234) 5.682 9.580 ( 3.623 -4.610 -2.300) 6.298 9.742 ( 4.335 -0.710 -0.441) 4.415 9.891 ( -4.736 2.859 3.790) 6.706 10.156 ( 0.193 -0.404 8.312) 8.324 10.401 ( 4.259 10.331 -3.896) 11.834 10.792 ( 3.281 4.844 -0.417) 5.866 10.898 ( -2.606 -2.978 5.347) 6.652 11.114 ( -2.600 -2.134 -5.761) 6.671 11.429 ( 7.053 0.245 -0.310) 7.064 11.558 ( 5.659 -4.211 -2.963) 7.651 11.731 ( -3.883 5.088 6.838) 9.366 11.945 ( -5.713 -5.276 1.728) 7.966 12.125 ( 0.223 1.816 -4.990) 5.315 12.337 ( 5.861 4.302 0.053) 7.271 12.543 ( -5.268 2.546 0.524) 5.875 12.561 ( -0.873 1.748 2.489) 3.164 12.712 ( 1.699 6.401 -9.536) 11.610 12.924 ( 1.610 6.919 -3.392) 7.872 13.288 ( -2.661 -1.008 -2.743) 3.952 13.511 ( -0.040 -0.789 6.972) 7.017 13.621 ( -1.079 -0.686 2.066) 2.430 13.672 ( 4.468 -10.189 4.604) 12.041 14.222 ( -12.123 1.690 -9.691) 15.612 14.514 ( 0.894 -11.037 -1.764) 11.213 14.699 ( 1.503 -14.134 -2.318) 14.401 14.917 ( -0.503 -2.726 2.492) 3.728 14.972 ( -3.013 -4.484 -3.453) 6.411 15.096 ( -0.761 -2.649 -0.578) 2.816 16.017 ( 2.657 -5.550 4.361) 7.542 16.135 ( 1.498 6.665 -0.891) 6.889 16.216 ( 0.167 2.708 -0.604) 2.779 16.301 ( -3.201 1.072 -1.648) 3.757 16.933 ( -0.161 -1.119 -2.595) 2.830 17.040 ( 1.516 -2.295 -0.408) 2.780 17.120 ( -2.585 -8.425 -0.165) 8.815 17.469 ( 2.249 -0.316 4.187) 4.764 19.687 ( -4.205 -4.710 -2.954) 6.971 19.835 ( -0.796 1.343 2.442) 2.898 20.827 ( -0.028 14.447 2.309) 14.630 20.988 ( 1.372 10.241 -1.798) 10.488 21.628 ( 0.702 -15.049 2.767) 15.317 22.099 ( 2.831 -11.030 -1.940) 11.552 22.995 ( -0.612 7.499 1.907) 7.761 23.283 ( 2.482 3.680 -1.132) 4.581 26.894 ( 0.176 -11.179 0.989) 11.224 26.914 ( -0.678 -12.047 -1.442) 12.152 29.079 ( -2.537 20.049 -1.010) 20.234 29.301 ( 3.878 11.608 0.286) 12.242 29.921 ( -1.077 -19.328 -1.633) 19.427 30.259 ( -1.465 -0.452 -1.206) 1.951 30.273 ( -2.521 -2.007 -0.582) 3.275 30.979 ( -1.527 -2.165 -2.252) 3.477 31.061 ( -1.130 -3.002 0.927) 3.339 31.533 ( 3.459 7.914 0.648) 8.661 31.752 ( 3.543 12.499 -0.704) 13.011 32.151 ( 5.134 -7.379 -0.920) 9.036 32.320 ( 2.899 -13.315 -0.708) 13.645 32.990 ( -5.941 2.089 2.308) 6.708 33.286 ( 37.142 11.803 -34.858) 52.287 33.423 ( 4.758 4.160 -9.644) 11.530 34.913 ( -7.007 0.730 0.815) 7.091 35.012 ( -4.105 4.533 7.124) 9.389 35.095 ( 0.281 -0.803 3.096) 3.210 35.152 ( -2.566 -0.217 2.483) 3.578 35.275 ( -3.629 -0.565 1.141) 3.846 35.541 ( 1.426 -3.261 6.685) 7.573 35.796 ( -30.879 -11.824 16.817) 37.096 38.216 ( 8.910 11.544 2.332) 14.768 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.683 -9.453 5.060) 10.853 1.684 ( -2.993 -11.892 1.642) 12.372 1.976 ( 6.614 3.145 -3.176) 7.983 2.195 ( 7.361 3.548 -9.693) 12.678 2.373 ( 7.627 -7.206 -2.732) 10.842 2.636 ( -5.276 7.618 2.141) 9.511 2.748 ( 1.608 1.831 2.015) 3.162 2.864 ( 3.507 -10.354 -2.811) 11.288 3.099 ( 9.216 -8.690 -1.866) 12.804 3.160 ( 2.448 -6.040 -6.558) 9.246 3.267 ( 4.797 2.494 -10.341) 11.669 3.322 ( 5.307 -2.840 -0.964) 6.096 3.380 ( -3.975 -1.341 -1.522) 4.463 3.545 ( 4.442 1.874 -3.909) 6.207 3.674 ( -2.429 2.448 6.490) 7.349 3.775 ( -0.309 -2.771 3.378) 4.380 3.905 ( -7.858 -0.164 2.927) 8.387 4.069 ( -4.562 0.940 -1.443) 4.876 4.179 ( -3.113 -5.613 3.301) 7.218 4.319 ( -4.285 -2.650 3.454) 6.109 4.725 ( 3.356 3.311 2.015) 5.127 4.881 ( -0.739 2.270 3.370) 4.130 5.003 ( 3.821 4.000 0.675) 5.573 5.166 ( -0.286 7.189 0.244) 7.199 5.373 ( 2.037 -1.915 -3.069) 4.151 5.559 ( 3.361 5.364 2.333) 6.746 5.610 ( -1.117 -3.307 -1.097) 3.659 5.685 ( -0.178 1.692 1.738) 2.432 5.784 ( 5.966 -7.676 -2.077) 9.942 5.898 ( -2.147 5.756 4.294) 7.495 7.578 ( -0.097 10.041 -0.680) 10.065 7.688 ( -2.968 9.493 0.051) 9.946 7.760 ( -0.572 1.138 -2.022) 2.390 8.155 ( 3.100 -6.237 -0.351) 6.974 8.664 ( -7.724 3.452 -2.935) 8.954 8.762 ( 0.778 1.121 1.575) 2.083 9.058 ( 0.639 4.066 0.638) 4.165 9.099 ( -1.822 -3.677 -2.226) 4.668 9.129 ( 4.141 2.213 3.302) 5.740 9.291 ( 0.582 6.724 -1.096) 6.838 9.622 ( -1.353 -2.245 -4.692) 5.374 9.764 ( 2.006 1.215 -3.381) 4.115 9.893 ( 1.146 -1.846 6.865) 7.200 10.177 ( -3.195 2.884 -0.812) 4.381 10.197 ( 5.289 12.352 3.184) 13.809 10.713 ( 4.389 6.513 -0.847) 7.899 10.964 ( -3.222 -3.225 3.184) 5.561 11.139 ( -2.146 -4.565 -0.267) 5.051 11.447 ( 4.297 3.295 -2.047) 5.789 11.666 ( 0.708 -1.886 4.396) 4.835 11.693 ( 1.475 -3.165 1.800) 3.929 11.976 ( -3.563 -1.184 -3.210) 4.940 12.100 ( 2.852 0.283 0.661) 2.941 12.296 ( 5.257 5.563 -0.849) 7.701 12.401 ( -4.876 3.700 -8.457) 10.440 12.566 ( 2.058 2.788 9.386) 10.005 12.640 ( -0.658 -0.445 -2.593) 2.712 12.779 ( 1.109 6.349 -3.483) 7.326 13.297 ( -2.937 -4.680 -2.661) 6.133 13.493 ( -4.792 1.551 3.744) 6.276 13.700 ( 0.037 -5.547 3.075) 6.342 13.917 ( 11.067 -2.070 5.853) 12.690 14.105 ( -10.567 -7.461 -10.487) 16.652 14.689 ( 1.894 3.350 -5.250) 6.509 14.786 ( 1.093 -2.898 4.648) 5.586 14.989 ( 0.182 -7.482 3.123) 8.110 15.128 ( -0.745 -11.637 0.084) 11.661 15.206 ( -2.124 -10.153 -0.687) 10.395 16.029 ( -3.008 1.157 -9.264) 9.808 16.093 ( 6.119 3.420 7.525) 10.284 16.202 ( -3.827 4.752 -1.310) 6.241 16.301 ( 0.356 -10.646 1.832) 10.808 16.945 ( 0.608 -1.912 -3.069) 3.667 17.098 ( 1.490 -2.438 1.130) 3.073 17.251 ( -1.888 -7.355 -0.817) 7.638 17.491 ( -0.417 0.713 3.096) 3.204 19.767 ( -1.957 -8.124 -3.755) 9.161 19.814 ( -1.798 -1.585 -1.399) 2.776 20.569 ( -0.555 15.498 2.684) 15.739 20.769 ( 2.121 13.591 -1.507) 13.838 21.947 ( 0.097 -17.674 2.939) 17.917 22.330 ( 1.930 -13.418 -2.368) 13.761 22.841 ( -1.290 10.083 3.094) 10.626 23.196 ( 2.070 7.314 -1.208) 7.697 27.160 ( -0.909 -16.851 -1.525) 16.944 27.171 ( -1.082 -18.650 2.060) 18.795 28.682 ( -0.994 22.238 -1.228) 22.294 29.061 ( 4.061 17.094 -1.770) 17.659 30.245 ( 2.112 -8.765 0.998) 9.071 30.266 ( -0.738 -1.823 1.078) 2.243 30.335 ( -2.307 -14.596 -1.605) 14.864 31.003 ( -0.434 -2.491 -1.370) 2.876 31.115 ( -1.873 -3.174 0.454) 3.713 31.388 ( 0.727 9.936 0.551) 9.978 31.559 ( 3.640 11.915 -0.808) 12.485 32.300 ( 7.762 -4.810 -3.968) 9.956 32.595 ( 1.801 -15.089 -1.075) 15.234 32.911 ( -5.274 3.620 3.379) 7.235 33.048 ( 15.412 16.533 -22.852) 32.142 33.348 ( 6.249 5.338 -5.347) 9.805 34.869 ( -4.166 0.178 1.547) 4.448 34.928 ( -8.035 3.676 9.898) 13.268 35.137 ( -1.117 -2.130 2.111) 3.200 35.180 ( -1.002 -1.574 2.531) 3.144 35.259 ( -3.002 0.581 4.022) 5.052 35.568 ( -2.167 1.097 3.261) 4.067 36.023 ( -9.036 -20.946 5.465) 23.458 37.990 ( 5.166 19.289 -1.386) 20.017 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.475 -1.167 0.997) 3.799 1.945 ( 1.966 -4.617 -0.303) 5.027 1.972 ( -4.030 -15.839 0.824) 16.364 2.087 ( 9.188 10.915 -7.877) 16.297 2.362 ( 1.105 10.232 1.312) 10.375 2.495 ( -3.577 -2.524 -4.311) 6.144 2.826 ( 2.670 -2.706 5.589) 6.759 2.958 ( 2.855 3.658 -1.232) 4.801 3.138 ( 2.886 1.727 -10.107) 10.652 3.187 ( 1.879 2.770 -12.503) 12.943 3.243 ( 3.151 -5.161 0.092) 6.047 3.402 ( -4.187 -5.178 -0.508) 6.678 3.506 ( 13.481 -2.148 -5.365) 14.667 3.573 ( -2.147 0.843 0.497) 2.360 3.687 ( -1.225 -0.619 5.259) 5.436 3.846 ( -1.812 3.074 2.575) 4.400 3.863 ( 2.171 -4.205 5.347) 7.141 3.991 ( -0.887 0.627 -2.981) 3.172 4.257 ( -5.898 -2.095 6.134) 8.764 4.359 ( 1.515 -4.832 -4.714) 6.919 4.672 ( -4.427 1.614 1.165) 4.854 4.863 ( -3.132 -0.664 1.198) 3.419 4.996 ( 4.427 2.214 2.864) 5.719 5.074 ( 0.129 4.151 2.776) 4.995 5.369 ( -0.041 2.914 0.265) 2.927 5.432 ( 1.785 5.625 3.391) 6.806 5.596 ( -4.067 4.405 4.574) 7.541 5.684 ( 0.766 -1.867 -3.297) 3.866 5.787 ( -1.493 1.560 1.429) 2.590 6.057 ( 1.995 -11.747 -4.456) 12.721 7.395 ( 0.480 9.478 2.999) 9.953 7.514 ( 0.142 7.281 2.311) 7.641 7.750 ( 0.087 -1.581 -2.924) 3.325 8.239 ( -3.557 -4.726 -8.687) 10.510 8.578 ( -0.595 0.779 1.389) 1.700 8.790 ( 0.374 -1.271 0.787) 1.541 8.949 ( -3.117 4.364 -2.547) 5.937 9.082 ( 0.446 4.435 -3.117) 5.439 9.129 ( 3.774 4.195 4.680) 7.331 9.234 ( 1.382 0.855 1.718) 2.364 9.645 ( 0.985 -3.666 -3.941) 5.472 9.746 ( 1.793 -0.024 2.120) 2.777 9.933 ( 0.261 7.707 0.897) 7.763 10.030 ( -1.553 -2.562 -0.193) 3.002 10.134 ( -1.292 4.801 3.379) 6.011 10.614 ( 2.274 6.740 -2.824) 7.653 10.996 ( -2.947 -1.550 3.049) 4.515 11.216 ( -1.153 -4.438 0.979) 4.688 11.369 ( 1.075 5.143 -0.608) 5.290 11.722 ( -2.654 -2.805 2.473) 4.586 11.796 ( 2.942 -1.479 2.692) 4.253 11.913 ( 1.473 3.467 -2.963) 4.793 12.151 ( 0.907 -2.987 0.519) 3.164 12.218 ( -2.125 0.418 -5.550) 5.958 12.303 ( -0.236 2.114 -2.474) 3.263 12.558 ( 0.567 5.622 -5.174) 7.661 12.599 ( 1.704 0.650 5.669) 5.955 12.740 ( 2.123 1.823 2.790) 3.951 13.381 ( -3.708 -8.025 -3.886) 9.657 13.517 ( 2.209 -4.376 7.106) 8.632 13.795 ( -2.218 -3.836 1.012) 4.545 13.873 ( -0.755 6.593 -1.423) 6.786 14.232 ( 4.301 -3.324 -6.439) 8.427 14.484 ( -2.148 7.102 2.665) 7.884 14.937 ( 1.951 -5.797 1.742) 6.359 15.112 ( -0.895 -3.514 3.024) 4.721 15.248 ( -0.317 -2.658 -0.183) 2.683 15.391 ( 0.431 -9.960 2.176) 10.204 15.931 ( -6.419 1.139 -9.255) 11.321 16.100 ( -0.788 3.459 1.494) 3.850 16.149 ( 7.114 1.536 7.537) 10.477 16.521 ( -0.537 -13.415 -3.101) 13.779 16.970 ( 1.480 -1.762 -2.933) 3.728 17.162 ( 1.458 -2.393 2.746) 3.923 17.311 ( -1.708 -1.272 -2.367) 3.184 17.490 ( -1.557 -0.224 3.152) 3.523 19.826 ( -0.700 -5.772 -3.281) 6.677 19.950 ( 0.704 -12.173 -4.615) 13.037 20.312 ( -1.262 13.949 3.420) 14.417 20.545 ( 2.176 12.478 -0.970) 12.703 22.266 ( -0.695 -16.441 2.416) 16.632 22.546 ( 0.363 -8.423 -3.577) 9.158 22.674 ( -1.081 6.941 4.505) 8.345 23.042 ( 1.398 10.699 -1.296) 10.868 27.473 ( 0.808 -18.990 -0.096) 19.007 27.533 ( -2.225 -21.806 1.609) 21.978 28.260 ( 0.643 24.576 -0.177) 24.585 28.772 ( 1.813 15.295 -5.475) 16.346 30.301 ( -0.950 -2.272 2.152) 3.270 30.315 ( -0.551 -2.322 2.825) 3.698 30.687 ( 4.024 -18.215 -1.332) 18.701 31.047 ( 2.032 -2.282 -0.135) 3.058 31.137 ( -1.286 -0.900 -0.908) 1.813 31.207 ( 0.533 10.759 -0.408) 10.780 31.380 ( -0.293 9.308 0.988) 9.365 32.320 ( 8.970 8.771 -10.262) 16.208 32.776 ( -1.287 4.829 -6.550) 8.239 32.835 ( 1.725 -1.923 -0.379) 2.611 32.867 ( -1.489 -7.834 -2.035) 8.230 33.253 ( 3.445 7.721 -0.354) 8.462 34.854 ( -3.602 0.064 3.808) 5.243 34.885 ( -4.823 0.854 7.223) 8.727 35.168 ( -4.607 -2.304 2.435) 5.698 35.207 ( -0.930 -1.302 0.906) 1.839 35.261 ( -0.873 0.929 6.369) 6.496 35.541 ( -2.073 1.014 0.629) 2.392 36.398 ( 1.508 -21.814 0.699) 21.877 37.638 ( 2.147 20.604 -4.391) 21.176 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 5.443 10.780 9.027) 15.078 1.818 ( 3.577 18.823 -0.425) 19.165 2.057 ( -2.283 -8.089 -2.814) 8.863 2.200 ( 1.079 -0.546 0.651) 1.373 2.352 ( 1.052 -9.582 3.731) 10.336 2.535 ( 0.141 -7.437 -7.730) 10.727 2.817 ( -1.620 8.038 -0.206) 8.202 2.906 ( 7.658 4.468 3.283) 9.455 3.042 ( 2.069 4.394 -9.072) 10.290 3.126 ( 6.090 1.981 -8.267) 10.458 3.280 ( 4.195 3.321 -3.393) 6.335 3.341 ( -13.202 4.429 -2.708) 14.186 3.469 ( -3.239 4.275 4.217) 6.823 3.595 ( 2.957 7.222 -1.661) 7.979 3.626 ( 1.857 -2.392 -0.012) 3.028 3.793 ( -2.675 2.631 0.875) 3.852 3.901 ( -1.905 -3.140 -3.021) 4.756 4.095 ( 9.013 -0.968 4.956) 10.332 4.256 ( -2.756 -1.129 -1.647) 3.403 4.430 ( 1.832 -1.673 0.331) 2.503 4.647 ( -4.829 -2.070 2.240) 5.711 4.892 ( -0.508 -2.915 -2.074) 3.613 4.990 ( 1.444 2.546 1.553) 3.314 5.097 ( 0.092 -7.929 2.200) 8.229 5.345 ( 0.185 1.386 4.376) 4.594 5.404 ( 0.453 2.840 5.044) 5.807 5.551 ( -2.272 1.767 5.569) 6.269 5.676 ( 1.240 1.413 -1.428) 2.361 5.749 ( -3.679 -0.496 -5.174) 6.368 6.151 ( -7.711 -5.154 -9.110) 13.001 7.334 ( 3.578 2.936 8.668) 9.826 7.496 ( 8.776 1.596 7.381) 11.578 7.782 ( -0.980 -4.011 -3.506) 5.417 8.183 ( -7.565 -1.132 -10.965) 13.370 8.622 ( 2.903 -2.350 2.407) 4.444 8.791 ( 2.135 1.364 -1.077) 2.753 8.863 ( -5.361 0.265 -0.843) 5.433 9.015 ( -0.363 1.797 -0.862) 2.026 9.095 ( 2.050 3.953 3.152) 5.455 9.216 ( 1.425 2.054 -0.768) 2.615 9.694 ( -0.259 -1.351 -3.599) 3.853 9.789 ( -3.004 0.534 0.672) 3.124 9.834 ( 6.226 -0.908 2.822) 6.896 10.030 ( -4.073 3.018 0.804) 5.133 10.139 ( 0.424 -4.015 2.471) 4.734 10.487 ( 1.238 5.719 -3.493) 6.815 11.018 ( -2.690 -1.494 3.341) 4.542 11.275 ( 0.259 -2.511 -0.588) 2.591 11.315 ( 0.879 1.557 0.681) 1.914 11.713 ( -0.436 3.377 0.313) 3.419 11.776 ( -3.285 1.846 1.702) 4.135 11.889 ( 2.112 3.170 2.387) 4.495 12.158 ( -4.346 -2.959 -6.587) 8.428 12.248 ( 1.209 2.064 -1.846) 3.021 12.291 ( 1.280 -5.431 0.960) 5.662 12.443 ( 1.959 3.626 -4.143) 5.843 12.652 ( 0.845 -2.703 1.456) 3.184 12.726 ( 0.877 1.194 1.559) 2.151 13.453 ( -3.962 -5.653 -2.224) 7.252 13.688 ( 4.649 2.972 2.177) 5.932 13.757 ( -3.073 1.064 0.895) 3.373 13.822 ( 2.652 -3.761 3.103) 5.551 14.091 ( -0.082 9.484 -2.965) 9.937 14.536 ( 2.984 -2.549 3.333) 5.149 15.015 ( -1.155 1.216 3.523) 3.901 15.143 ( 4.764 -2.235 -3.485) 6.312 15.289 ( -5.135 -5.090 -0.250) 7.235 15.512 ( -3.022 -1.033 -0.283) 3.206 15.840 ( -0.379 -0.188 -0.840) 0.941 16.034 ( -1.728 5.177 2.254) 5.905 16.206 ( 6.365 2.152 4.237) 7.943 16.704 ( -2.713 -11.119 -7.607) 13.743 16.992 ( 2.071 -0.771 -3.057) 3.772 17.213 ( -1.213 0.810 1.846) 2.353 17.274 ( 1.731 1.190 -0.270) 2.118 17.511 ( -2.108 -1.341 2.454) 3.502 19.955 ( 2.032 -9.477 -3.692) 10.372 20.018 ( 0.721 8.714 -0.446) 8.755 20.248 ( -0.133 -11.607 -0.360) 11.613 20.352 ( 0.657 9.888 -0.247) 9.913 22.414 ( -1.910 12.963 2.345) 13.312 22.533 ( -2.269 -13.379 0.885) 13.599 22.790 ( 1.457 -3.877 -2.071) 4.631 22.841 ( 1.014 6.186 -0.573) 6.295 27.801 ( -0.753 4.977 0.036) 5.034 27.865 ( 3.531 -2.798 1.954) 4.911 27.922 ( -0.605 -19.606 1.075) 19.644 28.485 ( -3.048 11.276 -10.235) 15.530 30.342 ( 1.807 0.433 4.550) 4.915 30.372 ( -1.398 -2.576 2.869) 4.101 30.900 ( 4.091 -0.886 -3.005) 5.153 31.003 ( 1.400 11.306 -2.040) 11.574 31.106 ( 3.110 -2.285 -0.363) 3.877 31.189 ( 1.722 -4.142 1.828) 4.844 31.279 ( -1.715 -0.380 1.910) 2.595 32.051 ( 3.700 14.763 -12.462) 19.671 32.708 ( -1.329 4.068 3.217) 5.354 32.832 ( 1.431 -1.469 -0.566) 2.127 33.019 ( -0.403 -2.603 -3.948) 4.746 33.165 ( 1.262 -0.369 0.442) 1.387 34.857 ( -3.833 -0.674 6.109) 7.243 34.895 ( -1.697 -0.756 4.160) 4.556 35.173 ( -6.625 -1.362 3.364) 7.554 35.227 ( -2.531 -1.778 1.227) 3.328 35.273 ( 0.495 1.747 6.309) 6.565 35.515 ( -2.065 0.185 0.074) 2.075 36.804 ( 7.374 -19.672 -1.795) 21.085 37.275 ( -1.758 16.409 -5.584) 17.422 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.594 19.748 7.768) 21.713 1.609 ( 16.245 11.684 12.791) 23.749 2.061 ( -2.452 5.113 -6.140) 8.358 2.165 ( -7.108 2.567 1.847) 7.780 2.427 ( -2.623 6.897 2.515) 7.796 2.642 ( 1.253 1.950 1.415) 2.716 2.677 ( 6.911 0.240 -0.624) 6.944 2.798 ( 9.461 14.040 -1.882) 17.034 3.008 ( 5.921 -3.506 -1.883) 7.134 3.093 ( 2.555 2.705 -5.021) 6.249 3.152 ( -0.380 1.209 -6.185) 6.314 3.259 ( 4.000 6.558 -2.352) 8.033 3.383 ( -1.558 0.718 1.771) 2.466 3.498 ( -4.119 0.187 1.506) 4.390 3.656 ( -4.645 -2.206 -1.458) 5.345 3.819 ( 3.283 -3.163 -1.267) 4.732 3.938 ( 0.028 -3.604 0.290) 3.616 4.167 ( 7.153 1.332 1.522) 7.433 4.222 ( -3.748 -0.712 -6.049) 7.151 4.449 ( 1.311 1.910 4.087) 4.698 4.678 ( -7.741 -4.935 0.152) 9.182 4.884 ( -1.208 2.032 -2.336) 3.324 5.038 ( 3.294 -6.198 0.987) 7.088 5.278 ( -7.047 -6.355 -2.957) 9.939 5.329 ( 1.237 1.597 3.724) 4.236 5.359 ( 3.083 4.679 5.945) 8.170 5.519 ( -0.948 4.675 4.270) 6.402 5.636 ( 2.524 2.668 -2.700) 4.559 5.750 ( -4.199 -6.538 -3.103) 8.367 6.063 ( -10.339 -0.775 -9.533) 14.084 7.401 ( 4.841 0.470 11.142) 12.158 7.629 ( 9.956 -1.387 8.585) 13.219 7.820 ( -2.834 -3.368 -1.539) 4.663 8.072 ( -7.973 0.074 -8.833) 11.899 8.703 ( 4.729 -0.383 3.556) 5.929 8.819 ( 4.715 -2.324 0.713) 5.305 8.842 ( -6.181 -3.323 1.050) 7.096 8.973 ( -0.911 2.633 0.303) 2.803 9.082 ( 1.432 -0.241 0.656) 1.593 9.220 ( 3.874 -1.369 -2.100) 4.614 9.658 ( -0.924 -0.944 -1.280) 1.839 9.821 ( 3.134 2.418 -0.135) 3.961 9.897 ( -6.294 -7.881 -2.667) 10.432 9.965 ( 1.144 3.791 0.658) 4.014 10.186 ( -1.558 -1.565 1.611) 2.733 10.459 ( 3.084 -2.620 -2.300) 4.654 11.036 ( -3.956 -1.049 2.028) 4.568 11.273 ( 0.309 1.638 -0.315) 1.696 11.361 ( 3.553 -3.167 1.103) 4.886 11.608 ( -0.038 6.802 -3.762) 7.773 11.788 ( 0.435 -1.950 7.576) 7.835 11.817 ( -2.811 4.791 -0.444) 5.572 12.096 ( -0.091 5.618 0.536) 5.644 12.207 ( -1.273 -2.277 -6.010) 6.552 12.415 ( -0.654 -5.106 1.000) 5.244 12.445 ( 2.872 -2.347 1.239) 3.910 12.709 ( 0.093 -4.163 -4.218) 5.927 12.767 ( 1.252 -5.100 -2.716) 5.912 13.476 ( -1.352 2.033 3.426) 4.207 13.582 ( 1.884 5.752 -0.431) 6.068 13.684 ( -4.947 1.397 -2.369) 5.660 13.908 ( -1.565 5.598 -4.095) 7.110 14.098 ( 10.128 -7.970 10.719) 16.763 14.557 ( 2.815 4.709 3.528) 6.523 14.938 ( -0.634 6.790 3.293) 7.573 15.198 ( -3.439 -3.316 -8.559) 9.802 15.333 ( -1.562 -0.315 -3.641) 3.974 15.445 ( -2.842 -1.707 -0.876) 3.429 15.807 ( -1.650 8.110 3.378) 8.939 16.004 ( 3.902 0.844 8.428) 9.326 16.219 ( 2.246 0.086 -2.361) 3.260 16.758 ( -6.358 -4.396 -11.771) 14.082 16.985 ( 1.686 1.618 -1.634) 2.851 17.148 ( -1.073 2.459 -2.681) 3.793 17.303 ( 3.700 1.485 4.052) 5.684 17.513 ( -3.152 0.492 0.515) 3.231 19.853 ( 0.405 8.786 3.093) 9.323 20.052 ( 4.407 4.118 -5.646) 8.262 20.291 ( -2.973 -8.174 2.749) 9.122 20.503 ( 1.364 -15.580 -2.715) 15.873 22.157 ( -1.120 16.044 3.029) 16.366 22.565 ( 2.412 14.914 -2.164) 15.262 22.723 ( -4.653 -9.948 0.082) 10.982 22.998 ( 1.727 -9.825 -2.100) 10.194 27.440 ( 0.675 21.030 2.029) 21.138 27.943 ( -7.900 11.519 -13.577) 19.479 28.315 ( 2.700 -21.590 2.841) 21.942 28.444 ( 0.263 -19.240 -1.138) 19.275 30.349 ( 1.998 2.920 2.830) 4.531 30.392 ( -1.901 1.765 4.043) 4.803 30.735 ( -0.884 13.422 -3.320) 13.855 30.927 ( 10.859 3.904 2.204) 11.748 31.201 ( 2.076 -5.115 -1.637) 5.758 31.238 ( -2.348 -4.505 1.393) 5.268 31.337 ( 0.869 0.216 -1.619) 1.850 31.868 ( 12.772 2.774 -9.932) 16.415 32.626 ( 2.016 8.258 6.336) 10.602 32.806 ( 1.812 7.590 -0.622) 7.828 32.984 ( -1.342 -1.512 0.751) 2.157 33.279 ( 1.177 -9.070 -6.723) 11.351 34.887 ( -3.580 -1.791 6.664) 7.774 34.923 ( -0.992 -1.114 3.528) 3.831 35.156 ( -6.565 -0.042 4.254) 7.823 35.237 ( -6.360 -1.565 2.969) 7.191 35.277 ( 1.440 1.393 3.261) 3.827 35.508 ( -2.489 -0.659 2.102) 3.324 36.895 ( -8.554 12.189 -2.809) 15.153 37.254 ( 9.633 -17.889 -3.586) 20.632 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 4.252 0.000 5.687) 7.101 1.666 ( 8.930 0.000 5.057) 10.263 1.892 ( 15.312 0.000 -8.687) 17.604 2.120 ( 6.893 0.000 -3.621) 7.786 2.302 ( 2.954 0.000 -1.189) 3.185 2.509 ( -7.300 -0.000 1.526) 7.458 2.775 ( 8.091 0.000 -6.200) 10.193 2.775 ( 10.354 0.000 -2.139) 10.573 2.925 ( -2.602 -0.000 1.220) 2.874 2.988 ( -4.433 -0.000 -6.195) 7.618 3.297 ( 0.813 0.000 -8.673) 8.711 3.450 ( -1.943 -0.000 -1.223) 2.296 3.490 ( 2.818 0.000 -7.590) 8.096 3.534 ( 0.979 0.000 -4.293) 4.403 3.680 ( 0.643 0.000 6.184) 6.218 3.724 ( -10.370 -0.000 5.104) 11.559 3.935 ( 2.793 0.000 -4.287) 5.116 3.939 ( -13.500 -0.000 10.138) 16.883 4.042 ( -1.339 -0.000 4.170) 4.380 4.297 ( -3.824 -0.000 10.345) 11.029 4.795 ( 9.260 0.000 0.867) 9.300 5.003 ( 5.192 0.000 1.726) 5.471 5.180 ( -0.489 -0.000 1.169) 1.268 5.314 ( 2.815 0.000 -0.177) 2.820 5.376 ( 10.073 0.000 -2.500) 10.379 5.403 ( 1.710 0.000 -8.258) 8.434 5.403 ( -3.220 -0.000 -0.263) 3.231 5.624 ( 1.461 0.000 3.459) 3.755 5.921 ( -2.911 -0.000 5.445) 6.175 6.081 ( -0.495 -0.000 0.850) 0.983 7.746 ( 3.673 0.000 -0.249) 3.682 7.834 ( 2.022 0.000 0.960) 2.238 7.924 ( -3.140 -0.000 -0.757) 3.230 7.998 ( 1.529 0.000 -1.787) 2.352 8.703 ( -4.233 -0.000 -2.275) 4.805 8.929 ( 0.490 0.000 1.445) 1.525 9.031 ( 1.647 0.000 2.150) 2.709 9.065 ( -6.104 -0.000 -3.143) 6.865 9.157 ( 0.866 0.000 0.326) 0.925 9.423 ( 3.055 0.000 -4.921) 5.792 9.593 ( 5.834 0.000 1.450) 6.012 9.760 ( 2.189 0.000 -1.601) 2.712 9.891 ( -5.339 -0.000 4.178) 6.780 10.180 ( -1.942 -0.000 4.405) 4.814 10.523 ( 5.980 0.000 -3.171) 6.769 10.826 ( 0.512 0.000 -2.368) 2.423 10.887 ( -4.374 -0.000 7.871) 9.004 11.070 ( 1.495 0.000 -3.713) 4.002 11.505 ( 7.946 0.000 2.068) 8.211 11.533 ( 4.153 0.000 -1.431) 4.393 11.810 ( -3.156 -0.000 6.600) 7.316 11.812 ( -9.483 -0.000 -0.514) 9.497 12.148 ( 5.835 0.000 -0.624) 5.869 12.373 ( 0.849 0.000 -4.617) 4.695 12.475 ( -8.007 -0.000 -4.076) 8.984 12.614 ( -1.236 -0.000 6.717) 6.830 12.795 ( 9.906 0.000 -10.814) 14.665 12.997 ( 1.563 0.000 -1.922) 2.477 13.291 ( -0.358 -0.000 -1.235) 1.285 13.538 ( -4.075 -0.000 4.791) 6.290 13.561 ( 1.335 0.000 1.286) 1.853 13.628 ( -0.895 -0.000 3.933) 4.034 14.128 ( -4.358 -0.000 -4.594) 6.332 14.439 ( 1.181 0.000 -1.088) 1.606 14.477 ( -0.300 -0.000 -2.062) 2.084 14.871 ( -1.000 -0.000 3.063) 3.222 14.910 ( -1.192 -0.000 -1.826) 2.180 15.108 ( 1.653 0.000 -0.950) 1.906 15.946 ( -1.992 -0.000 -7.077) 7.352 16.224 ( 1.306 0.000 4.502) 4.688 16.237 ( -0.335 -0.000 -2.812) 2.832 16.335 ( 1.364 0.000 4.329) 4.538 16.918 ( 0.426 0.000 -1.718) 1.770 17.010 ( -0.835 -0.000 -0.053) 0.837 17.026 ( 0.575 0.000 0.301) 0.649 17.500 ( 0.433 0.000 3.380) 3.408 19.597 ( -3.196 -0.000 -3.529) 4.761 19.848 ( -2.181 -0.000 -0.081) 2.183 21.024 ( 0.570 0.000 1.292) 1.412 21.059 ( -0.312 -0.000 0.037) 0.314 21.493 ( 1.080 0.000 2.990) 3.179 21.997 ( 2.402 0.000 -2.071) 3.172 23.072 ( -0.596 -0.000 1.653) 1.757 23.326 ( 1.857 0.000 -1.047) 2.132 26.795 ( 0.461 0.000 0.270) 0.534 26.803 ( 0.458 0.000 0.140) 0.479 29.323 ( -2.326 -0.000 -1.714) 2.889 29.400 ( 1.344 0.000 -0.273) 1.371 29.670 ( 1.728 0.000 -0.603) 1.830 30.245 ( -0.657 -0.000 0.060) 0.660 30.247 ( -0.590 -0.000 0.481) 0.761 30.940 ( -0.445 -0.000 -2.000) 2.049 31.025 ( -0.974 -0.000 0.219) 0.998 31.647 ( 3.035 0.000 0.959) 3.183 31.956 ( -0.293 -0.000 0.132) 0.321 32.033 ( 3.617 0.000 -0.276) 3.627 32.202 ( 3.586 0.000 -2.313) 4.267 32.978 ( -6.070 -0.000 3.568) 7.041 33.443 ( 6.960 0.000 -9.201) 11.537 33.466 ( 36.279 0.000 -46.013) 58.595 34.877 ( -5.082 -0.000 1.577) 5.321 35.081 ( 0.802 0.000 3.813) 3.896 35.127 ( 0.651 0.000 3.718) 3.774 35.157 ( -1.665 -0.000 -2.757) 3.221 35.198 ( -2.268 -0.000 -2.676) 3.508 35.531 ( -25.084 -0.000 37.058) 44.749 35.594 ( -10.259 -0.000 5.680) 11.727 38.385 ( 4.208 0.000 0.983) 4.321 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.731 -6.127 4.933) 8.055 1.644 ( 0.262 5.853 1.249) 5.991 2.041 ( 10.773 -2.476 -3.271) 11.528 2.173 ( 7.433 -4.199 -6.315) 10.619 2.295 ( 0.991 -1.184 -3.139) 3.498 2.574 ( -2.491 -12.226 1.565) 12.574 2.779 ( -0.198 3.845 -5.134) 6.418 2.859 ( -4.718 4.797 -5.188) 8.496 2.957 ( 6.783 -10.992 -0.979) 12.953 2.986 ( 7.791 -9.660 -3.179) 12.811 3.246 ( 1.547 0.884 -9.840) 10.000 3.334 ( -2.375 4.577 -3.322) 6.134 3.433 ( 2.665 5.955 -4.448) 7.896 3.603 ( 2.981 -4.543 -4.176) 6.853 3.626 ( -4.770 1.594 4.023) 6.441 3.774 ( -3.662 -2.402 8.026) 9.143 3.859 ( -3.819 1.916 5.709) 7.131 4.010 ( -2.083 -2.720 1.275) 3.656 4.116 ( 1.352 -4.719 5.772) 7.577 4.305 ( -5.833 0.985 8.008) 9.956 4.837 ( 5.043 2.175 0.589) 5.523 4.964 ( -1.057 7.155 -0.072) 7.233 5.120 ( 1.324 4.318 1.547) 4.774 5.278 ( 0.532 4.559 -0.280) 4.598 5.347 ( 2.808 -1.156 -1.121) 3.237 5.468 ( -0.848 -6.175 -2.329) 6.653 5.556 ( 3.188 -10.975 -5.331) 12.611 5.655 ( 2.365 0.992 0.978) 2.745 5.862 ( -2.626 6.684 6.192) 9.482 6.025 ( -1.182 6.495 2.502) 7.060 7.722 ( 2.071 3.773 -3.533) 5.568 7.787 ( -1.406 5.148 0.233) 5.342 7.851 ( 0.426 6.885 1.537) 7.068 8.011 ( -4.319 -5.216 -9.312) 11.514 8.663 ( 0.310 1.829 1.400) 2.324 8.866 ( -0.523 7.498 1.681) 7.702 9.024 ( -0.393 -2.319 0.729) 2.462 9.113 ( 1.305 -0.010 1.093) 1.702 9.168 ( 1.457 -1.870 3.705) 4.398 9.373 ( 0.618 3.572 -6.050) 7.053 9.617 ( 2.143 1.349 0.146) 2.537 9.743 ( -1.539 -0.576 -4.841) 5.112 9.899 ( -1.124 -1.170 4.918) 5.179 10.159 ( -5.846 0.200 -2.325) 6.294 10.461 ( 4.676 9.788 -0.164) 10.848 10.803 ( -0.113 2.082 -2.301) 3.105 10.908 ( -4.373 -2.000 6.035) 7.716 11.082 ( 3.047 -0.997 -0.249) 3.215 11.526 ( 4.237 2.227 0.421) 4.805 11.636 ( 5.338 -4.754 1.419) 7.288 11.712 ( -5.687 3.133 3.703) 7.474 11.869 ( -3.579 -4.857 1.288) 6.169 12.182 ( 6.482 2.804 2.615) 7.531 12.350 ( -3.910 0.945 -7.342) 8.372 12.408 ( 3.141 2.271 -1.428) 4.130 12.592 ( -4.402 0.725 -2.511) 5.119 12.741 ( 7.782 7.305 5.670) 12.086 12.910 ( 2.427 8.048 -4.338) 9.460 13.243 ( -0.540 1.123 -1.915) 2.285 13.522 ( -4.739 1.077 3.980) 6.281 13.642 ( -1.459 -1.044 3.128) 3.606 13.722 ( -2.470 -15.492 -4.476) 16.313 14.099 ( 4.860 4.188 4.037) 7.580 14.510 ( 0.710 -11.185 -1.219) 11.274 14.728 ( 4.611 -18.034 -1.482) 18.673 14.908 ( -2.665 -3.039 0.137) 4.044 14.958 ( 0.755 -5.243 4.368) 6.866 15.085 ( 0.292 0.989 -0.036) 1.032 15.907 ( -3.944 -3.748 -13.945) 14.969 16.200 ( -1.509 -0.094 -2.398) 2.834 16.249 ( 3.516 2.997 7.417) 8.738 16.300 ( 0.338 6.278 4.928) 7.989 16.914 ( 1.223 -0.751 -1.962) 2.431 17.063 ( 0.715 -3.073 0.886) 3.277 17.097 ( -0.185 -7.527 0.516) 7.547 17.507 ( -1.909 0.252 2.018) 2.789 19.605 ( -0.728 -5.161 -4.180) 6.681 19.798 ( -3.051 1.668 -3.541) 4.963 20.845 ( -1.043 14.285 2.305) 14.507 20.996 ( 1.491 9.831 -0.902) 9.984 21.670 ( -0.090 -14.539 3.853) 15.041 22.110 ( 1.631 -10.759 -2.328) 11.128 23.008 ( -0.964 7.233 2.413) 7.685 23.299 ( 1.211 3.619 -1.371) 4.055 26.902 ( -0.213 -11.052 0.821) 11.084 26.907 ( 0.451 -10.641 0.219) 10.653 29.043 ( 0.049 19.672 -0.865) 19.691 29.328 ( 0.769 10.935 -2.434) 11.229 29.933 ( 2.546 -20.642 1.021) 20.824 30.248 ( -0.154 -0.313 1.276) 1.323 30.261 ( 0.353 -0.819 2.133) 2.312 30.953 ( 0.543 -2.431 -1.073) 2.712 31.045 ( -1.046 -2.605 -0.242) 2.818 31.574 ( 0.753 9.162 1.257) 9.278 31.786 ( 1.856 11.571 -0.899) 11.753 32.189 ( 1.574 -8.972 -1.440) 9.222 32.344 ( 2.006 -12.593 -2.402) 12.976 32.944 ( -4.488 1.635 4.512) 6.571 33.306 ( 21.066 13.097 -38.981) 46.204 33.445 ( 11.726 3.510 -10.860) 16.363 34.859 ( -2.149 0.243 2.699) 3.458 35.017 ( -6.326 7.013 8.725) 12.858 35.101 ( -2.672 -1.174 1.708) 3.381 35.148 ( -1.494 -1.471 -0.693) 2.208 35.260 ( 0.811 -1.936 2.086) 2.959 35.547 ( -10.244 -3.250 2.898) 11.131 35.718 ( -8.636 -11.516 26.626) 30.268 38.286 ( 0.098 11.923 -2.810) 12.250 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -6.011 -5.575 -1.097) 8.272 1.687 ( -3.504 -10.598 1.615) 11.279 2.054 ( 5.665 3.799 -0.075) 6.821 2.164 ( 4.174 0.982 -11.592) 12.359 2.443 ( 2.678 -3.655 -0.981) 4.636 2.585 ( -1.395 11.459 -0.343) 11.549 2.770 ( -3.108 -4.984 2.270) 6.298 2.861 ( -1.770 -14.531 -0.431) 14.645 3.111 ( 4.553 2.767 -11.644) 12.805 3.168 ( 7.817 -0.855 -11.109) 13.610 3.228 ( 2.899 -9.718 -0.858) 10.178 3.299 ( 0.452 5.639 -1.373) 5.821 3.403 ( 0.413 -13.311 -0.639) 13.333 3.595 ( 0.280 2.703 3.948) 4.793 3.653 ( -1.668 -2.487 -4.286) 5.228 3.815 ( -3.567 -1.408 3.670) 5.308 3.860 ( -1.732 -0.066 5.393) 5.665 4.028 ( 3.630 0.310 3.706) 5.197 4.255 ( -4.818 1.791 4.603) 6.900 4.269 ( 2.319 -5.770 2.681) 6.772 4.745 ( -1.774 8.076 -0.233) 8.272 4.855 ( -3.644 2.539 -1.010) 4.555 5.095 ( 1.485 2.213 5.524) 6.133 5.213 ( 2.975 6.435 4.997) 8.674 5.371 ( 1.462 -1.043 -3.138) 3.616 5.529 ( -4.641 -1.216 -4.351) 6.477 5.615 ( 1.141 0.898 2.049) 2.511 5.727 ( 1.349 -0.783 3.449) 3.785 5.769 ( -2.315 -1.447 -4.587) 5.338 5.899 ( -3.462 5.082 2.794) 6.754 7.608 ( 2.800 9.922 0.900) 10.349 7.685 ( -0.719 4.806 -0.416) 4.877 7.736 ( 2.709 5.306 0.275) 5.964 8.009 ( -8.912 -7.057 -13.320) 17.511 8.651 ( 4.556 3.682 2.153) 6.241 8.784 ( -0.532 1.334 1.726) 2.245 8.972 ( -3.101 3.418 -4.281) 6.295 9.138 ( 0.476 2.486 -2.061) 3.264 9.220 ( 0.435 1.197 4.752) 4.920 9.287 ( 1.819 2.512 1.912) 3.643 9.637 ( 5.336 -0.807 -0.323) 5.406 9.739 ( 1.659 -2.239 -2.133) 3.510 9.943 ( -2.666 -1.927 4.295) 5.410 10.052 ( -5.956 3.582 -5.910) 9.123 10.290 ( 0.060 11.053 3.300) 11.536 10.713 ( -1.232 5.268 -3.534) 6.462 10.950 ( -2.459 -2.459 2.997) 4.591 11.150 ( 1.435 -3.372 2.574) 4.478 11.476 ( 1.293 5.157 -2.111) 5.720 11.666 ( -4.272 -0.476 4.146) 5.972 11.778 ( 3.002 -5.149 2.722) 6.552 11.924 ( 0.699 -1.894 -1.104) 2.301 12.169 ( -1.728 3.004 -0.341) 3.482 12.205 ( 1.430 5.184 -7.478) 9.211 12.343 ( -0.052 4.078 -0.545) 4.115 12.584 ( -1.679 0.076 -3.594) 3.967 12.726 ( 3.728 5.185 9.442) 11.399 12.811 ( 5.183 3.102 0.330) 6.050 13.254 ( 0.951 -3.067 -2.440) 4.032 13.520 ( 0.299 -1.618 7.262) 7.447 13.665 ( -5.188 -4.186 -3.336) 7.454 13.897 ( -5.556 -6.182 -1.609) 8.466 14.143 ( 10.382 -2.797 2.786) 11.107 14.618 ( -1.129 4.563 -6.928) 8.372 14.866 ( 1.204 -5.015 5.222) 7.340 15.048 ( -2.353 -3.683 3.220) 5.429 15.141 ( 3.770 -12.701 2.802) 13.542 15.213 ( 2.502 -11.733 3.700) 12.555 15.831 ( -4.529 0.061 -12.097) 12.917 16.159 ( -2.344 3.520 -2.413) 4.869 16.279 ( 1.755 -6.187 1.917) 6.711 16.300 ( 3.686 0.774 7.060) 8.002 16.939 ( 1.580 -1.598 -2.016) 3.019 17.136 ( 1.158 -3.385 2.947) 4.635 17.224 ( 0.045 -5.786 -1.660) 6.019 17.489 ( -3.235 0.272 1.305) 3.499 19.713 ( 1.252 -7.331 -5.074) 9.003 19.749 ( -1.141 -3.948 -5.029) 6.495 20.583 ( -1.720 15.236 2.783) 15.583 20.787 ( 1.735 13.337 -0.655) 13.465 21.977 ( -1.003 -16.968 3.798) 17.417 22.325 ( 1.123 -12.939 -2.647) 13.255 22.855 ( -1.754 9.857 3.329) 10.551 23.201 ( 0.725 7.202 -1.696) 7.434 27.159 ( -1.954 -17.517 0.882) 17.647 27.177 ( 2.945 -17.368 1.086) 17.649 28.680 ( 1.493 21.750 -0.008) 21.801 29.040 ( -1.359 17.663 -5.422) 18.527 30.271 ( -0.887 -2.716 1.920) 3.442 30.298 ( 0.072 -2.191 3.796) 4.384 30.360 ( 5.251 -19.989 2.691) 20.841 31.015 ( 1.406 -3.533 0.606) 3.851 31.083 ( -0.683 -2.681 -1.133) 2.989 31.399 ( -0.105 10.570 0.984) 10.616 31.581 ( 0.496 12.118 -1.247) 12.192 32.338 ( 2.957 -6.058 -3.997) 7.837 32.577 ( -0.344 -13.967 -3.853) 14.493 32.891 ( 1.401 8.548 -6.419) 10.781 32.949 ( 6.394 11.207 -19.927) 23.739 33.396 ( 6.009 5.410 -3.350) 8.752 34.862 ( -0.541 0.488 3.655) 3.727 34.927 ( -6.436 3.505 9.961) 12.366 35.107 ( -4.388 -1.743 1.183) 4.867 35.162 ( -2.059 -2.168 -1.127) 3.195 35.303 ( 0.151 -0.149 6.587) 6.591 35.531 ( -4.103 -0.238 -0.175) 4.114 36.084 ( 0.737 -18.409 15.441) 24.039 37.968 ( -1.927 18.858 -6.683) 20.100 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -2.388 -11.024 -1.850) 11.430 1.895 ( -3.931 -13.758 -0.627) 14.322 2.030 ( 5.532 4.018 3.523) 7.691 2.146 ( 8.294 -0.055 -9.264) 12.434 2.380 ( 0.125 7.539 0.604) 7.564 2.404 ( -5.132 1.419 -1.152) 5.448 2.884 ( -2.460 -0.949 4.049) 4.832 3.003 ( -0.322 -1.380 -1.297) 1.921 3.033 ( 4.762 -0.220 -9.483) 10.614 3.164 ( 10.047 1.047 -8.015) 12.895 3.232 ( -4.088 -1.034 -3.549) 5.511 3.349 ( -1.553 -0.552 1.427) 2.180 3.538 ( -7.599 -1.752 -2.922) 8.327 3.562 ( -3.180 1.720 3.759) 5.215 3.642 ( 0.402 0.502 -1.745) 1.859 3.818 ( -1.570 -1.491 -2.670) 3.438 3.860 ( 2.162 1.192 2.891) 3.802 4.154 ( 5.498 -1.880 5.000) 7.666 4.222 ( 1.912 -3.713 -0.894) 4.271 4.424 ( 5.587 -3.170 4.486) 7.835 4.647 ( -0.593 3.052 0.211) 3.116 4.763 ( -7.333 -1.954 -1.503) 7.736 5.099 ( 1.233 2.173 3.488) 4.291 5.135 ( 2.777 8.072 5.469) 10.138 5.371 ( 1.734 0.502 -1.410) 2.290 5.490 ( -3.924 -1.284 3.325) 5.301 5.598 ( 0.138 6.447 -1.297) 6.577 5.646 ( -1.777 0.688 3.014) 3.566 5.773 ( -0.588 3.729 1.429) 4.036 5.900 ( -9.609 -8.752 -7.020) 14.772 7.497 ( 4.596 6.551 6.321) 10.198 7.658 ( 7.286 0.915 3.749) 8.244 7.691 ( 0.223 1.059 -3.446) 3.612 7.977 ( -9.892 -5.664 -12.630) 17.014 8.646 ( 3.666 0.900 1.852) 4.204 8.792 ( 0.999 -0.779 -1.356) 1.855 8.861 ( -2.521 3.626 -3.098) 5.395 9.034 ( -1.408 3.408 -5.431) 6.564 9.184 ( -2.594 3.023 4.347) 5.896 9.285 ( 3.015 4.174 1.280) 5.306 9.679 ( 1.155 -1.785 0.256) 2.141 9.784 ( 0.884 3.074 -4.555) 5.565 9.925 ( 1.197 2.140 4.628) 5.237 10.004 ( -1.040 -2.329 0.681) 2.640 10.154 ( -2.559 3.520 5.009) 6.635 10.578 ( -1.136 5.970 -4.200) 7.387 10.986 ( -2.186 -1.649 2.608) 3.781 11.225 ( 0.900 -2.925 0.594) 3.118 11.391 ( 1.356 3.787 0.787) 4.099 11.690 ( -2.812 -2.594 1.842) 4.246 11.815 ( -2.907 2.553 2.216) 4.458 11.974 ( 4.415 0.402 0.423) 4.454 12.040 ( -6.316 0.248 -8.951) 10.958 12.191 ( 1.902 -3.159 1.198) 3.877 12.296 ( 1.072 2.197 -0.564) 2.509 12.500 ( 0.120 4.058 -5.652) 6.959 12.704 ( 2.227 4.604 6.067) 7.935 12.813 ( 2.575 3.548 2.790) 5.197 13.314 ( 0.347 -5.115 -1.644) 5.383 13.660 ( -5.565 -3.717 -6.763) 9.514 13.705 ( 5.472 -8.147 9.577) 13.713 13.882 ( -1.176 3.021 4.260) 5.353 14.243 ( 2.644 5.856 -5.663) 8.564 14.466 ( 0.279 -1.986 -2.310) 3.059 14.999 ( -0.514 -3.726 4.809) 6.105 15.117 ( -1.522 -4.487 2.651) 5.429 15.283 ( 4.203 1.653 2.251) 5.046 15.428 ( -0.445 -6.400 1.772) 6.656 15.753 ( -3.220 -3.156 -5.630) 7.213 16.087 ( -2.022 2.152 -1.029) 3.127 16.354 ( 5.245 1.404 4.804) 7.250 16.449 ( 0.749 -9.701 -2.160) 9.967 16.968 ( 1.480 -1.793 -1.734) 2.901 17.224 ( -0.196 -0.975 4.282) 4.396 17.266 ( 1.904 -2.265 -3.619) 4.675 17.477 ( -3.514 -1.134 1.233) 3.893 19.779 ( 0.353 -7.543 -4.337) 8.708 19.927 ( 4.062 -12.461 -5.696) 14.291 20.325 ( -2.285 13.373 3.779) 14.083 20.561 ( 0.964 12.787 -0.593) 12.837 22.271 ( -2.342 -15.024 2.710) 15.445 22.520 ( 0.926 -6.647 -2.190) 7.059 22.706 ( -0.905 4.980 3.488) 6.147 23.038 ( 0.496 10.438 -1.868) 10.615 27.486 ( -2.782 -20.717 0.055) 20.903 27.561 ( 6.859 -19.873 2.888) 21.221 28.290 ( 1.995 23.846 1.248) 23.961 28.656 ( -5.231 17.628 -8.772) 20.373 30.332 ( 0.650 -2.794 2.809) 4.015 30.358 ( 0.363 -2.105 4.101) 4.623 30.743 ( 2.409 -15.710 1.869) 16.003 31.083 ( -0.374 -2.063 -0.743) 2.224 31.121 ( 2.100 -1.304 -0.362) 2.498 31.251 ( 3.755 6.566 2.812) 8.070 31.355 ( -1.773 10.672 -1.580) 10.933 32.250 ( 2.602 13.447 -18.795) 23.256 32.653 ( -2.417 -3.644 -7.494) 8.676 32.817 ( 1.455 -11.608 -4.998) 12.722 32.891 ( -0.255 2.928 5.456) 6.197 33.303 ( 2.913 7.996 0.260) 8.514 34.866 ( -2.525 0.782 6.146) 6.691 34.904 ( -2.350 0.562 5.796) 6.280 35.114 ( -4.999 -2.046 2.126) 5.805 35.177 ( -2.608 -1.843 -0.283) 3.206 35.341 ( -0.233 0.876 8.230) 8.279 35.496 ( -2.782 0.251 -1.668) 3.254 36.518 ( 7.816 -19.344 6.766) 21.933 37.554 ( -2.971 20.083 -8.701) 22.088 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.057 -1.842 -2.229) 4.982 1.908 ( 5.402 10.557 2.345) 12.089 2.047 ( 3.209 -0.668 5.188) 6.136 2.148 ( -7.331 1.964 -3.067) 8.186 2.390 ( -2.407 -5.188 2.519) 6.250 2.504 ( 5.072 -15.020 -2.939) 16.124 2.803 ( 1.335 7.260 -1.215) 7.481 2.997 ( 2.469 3.304 -3.841) 5.636 3.027 ( 3.834 2.052 -2.016) 4.793 3.110 ( -4.201 0.316 -6.040) 7.364 3.198 ( 5.428 4.837 1.339) 7.393 3.317 ( 3.399 0.693 -2.699) 4.395 3.454 ( -4.864 2.885 -1.974) 5.990 3.504 ( -2.655 4.398 3.726) 6.346 3.606 ( -5.309 0.506 -0.187) 5.337 3.798 ( -1.067 -0.118 -3.899) 4.044 3.920 ( 6.716 -1.260 3.585) 7.717 4.176 ( 2.430 0.765 -5.578) 6.132 4.299 ( 4.066 2.781 4.032) 6.366 4.513 ( 5.950 0.464 4.335) 7.376 4.570 ( -5.682 -1.410 -3.717) 6.935 4.849 ( -1.919 -5.003 0.419) 5.375 5.032 ( -1.148 3.458 2.903) 4.659 5.126 ( 2.225 -1.638 0.300) 2.780 5.386 ( 1.489 0.360 1.841) 2.395 5.452 ( -2.399 3.352 1.526) 4.396 5.571 ( -7.412 -5.962 -2.684) 9.884 5.627 ( 1.409 2.736 3.106) 4.373 5.714 ( 2.651 4.047 2.764) 5.572 5.896 ( -9.269 -3.469 -5.104) 11.135 7.510 ( 3.855 0.997 6.876) 7.946 7.658 ( -2.851 -1.254 -3.674) 4.816 7.796 ( 11.632 -2.842 7.917) 14.355 7.915 ( -9.607 -2.984 -10.270) 14.376 8.708 ( 2.686 -4.216 2.090) 5.418 8.765 ( -3.837 0.996 -2.240) 4.553 8.839 ( 5.282 -0.729 0.269) 5.339 8.952 ( -2.325 1.067 -5.069) 5.678 9.154 ( -0.203 1.838 4.158) 4.551 9.220 ( 0.643 2.512 -1.339) 2.918 9.658 ( -0.892 3.476 -2.398) 4.316 9.732 ( -3.689 -4.206 -0.281) 5.602 9.933 ( 4.414 4.721 0.922) 6.528 9.988 ( -2.610 -0.585 0.559) 2.733 10.191 ( 0.166 0.137 2.688) 2.697 10.471 ( 2.098 2.433 -2.410) 4.016 11.002 ( -3.031 -0.958 2.482) 4.033 11.290 ( 2.367 -2.780 -0.902) 3.761 11.367 ( 1.517 2.000 4.088) 4.797 11.698 ( -0.950 2.797 0.309) 2.970 11.776 ( -2.237 -1.534 1.837) 3.276 11.864 ( -4.528 4.195 -0.975) 6.250 12.065 ( 1.112 -3.150 -1.964) 3.874 12.244 ( 1.120 4.096 -1.754) 4.595 12.340 ( 1.952 -6.904 2.066) 7.467 12.410 ( 1.133 0.633 -5.053) 5.217 12.673 ( 0.149 1.932 -0.020) 1.938 12.760 ( 1.123 3.448 0.765) 3.706 13.435 ( 2.473 -6.355 1.522) 6.987 13.607 ( -6.508 0.922 -4.020) 7.705 13.759 ( 0.510 5.727 2.259) 6.178 14.004 ( 4.583 3.273 -0.557) 5.659 14.063 ( 0.974 -3.834 5.378) 6.676 14.566 ( -0.066 -5.204 -3.529) 6.288 15.012 ( -4.219 2.330 2.911) 5.630 15.205 ( 4.435 3.130 2.052) 5.803 15.254 ( 0.329 -1.623 0.684) 1.792 15.414 ( -4.367 0.556 -3.527) 5.640 15.866 ( 1.068 -5.253 2.708) 6.006 16.007 ( -2.913 2.317 -0.153) 3.726 16.364 ( 5.716 4.908 2.898) 8.072 16.558 ( -2.479 -5.365 -7.111) 9.246 17.007 ( 2.506 -0.828 0.178) 2.645 17.169 ( -1.701 3.038 -3.251) 4.764 17.348 ( 3.350 -1.733 3.421) 5.092 17.477 ( -4.411 -1.302 0.535) 4.630 19.942 ( 1.477 -10.381 -2.968) 10.898 20.027 ( 1.681 5.815 -1.522) 6.241 20.253 ( 0.924 -9.345 0.215) 9.393 20.346 ( -0.915 10.285 -0.274) 10.329 22.420 ( -1.029 9.991 2.689) 10.397 22.508 ( -2.305 -9.552 1.725) 9.977 22.794 ( 1.694 -0.056 -1.772) 2.452 22.842 ( 0.810 2.492 -1.836) 3.199 27.783 ( -1.568 -1.010 0.467) 1.923 27.942 ( 1.127 6.169 1.251) 6.395 27.979 ( 6.058 -16.002 2.299) 17.264 28.283 ( -5.377 8.291 -8.448) 13.001 30.385 ( -1.280 -0.425 2.417) 2.768 30.407 ( -0.231 -0.750 3.066) 3.164 30.920 ( 1.758 1.320 -1.941) 2.933 30.996 ( 0.908 4.788 -2.227) 5.358 31.161 ( 1.302 -2.882 0.977) 3.310 31.181 ( -2.864 1.461 2.165) 3.876 31.346 ( 6.333 -1.235 -1.848) 6.712 31.953 ( 5.122 6.387 -13.112) 15.458 32.705 ( -1.331 -3.429 0.186) 3.683 32.863 ( 0.159 1.952 2.112) 2.880 32.991 ( 1.559 -5.797 -1.508) 6.189 33.178 ( 0.575 5.170 -0.978) 5.293 34.874 ( -3.922 -0.502 6.968) 8.011 34.918 ( -1.439 -0.491 3.424) 3.747 35.127 ( -4.876 -1.426 4.750) 6.955 35.181 ( -3.413 -1.153 0.485) 3.635 35.341 ( -1.787 2.753 5.808) 6.672 35.483 ( -0.750 -1.314 -0.474) 1.585 36.945 ( 9.326 -15.550 1.166) 18.169 37.140 ( -3.780 14.992 -8.277) 17.538 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -5.478 -0.000 3.474) 6.487 1.725 ( -7.871 -0.000 1.017) 7.936 2.072 ( 16.376 0.000 -3.083) 16.664 2.161 ( 2.389 0.000 -6.376) 6.809 2.284 ( -1.098 -0.000 -2.451) 2.685 2.405 ( -3.466 -0.000 1.605) 3.819 2.765 ( -1.561 -0.000 -5.831) 6.036 2.794 ( -10.064 -0.000 -6.216) 11.829 2.846 ( 7.034 0.000 -5.342) 8.833 2.989 ( 10.046 0.000 -4.585) 11.042 3.218 ( 1.086 0.000 -9.211) 9.275 3.379 ( -1.748 -0.000 -3.566) 3.971 3.469 ( 1.172 0.000 -6.453) 6.559 3.500 ( 2.199 0.000 -2.745) 3.517 3.693 ( -2.321 -0.000 9.812) 10.083 3.766 ( 0.969 0.000 4.706) 4.805 3.883 ( -6.953 -0.000 6.399) 9.449 4.026 ( 8.209 0.000 5.372) 9.810 4.121 ( -0.025 -0.000 9.639) 9.639 4.309 ( -7.914 -0.000 7.597) 10.970 4.876 ( 0.599 0.000 -0.507) 0.785 5.027 ( -4.021 -0.000 -2.672) 4.828 5.165 ( -1.577 -0.000 0.601) 1.688 5.319 ( -2.267 -0.000 -2.945) 3.716 5.333 ( 3.381 0.000 -5.717) 6.641 5.374 ( 2.830 0.000 2.193) 3.581 5.478 ( 1.521 0.000 0.343) 1.559 5.677 ( 0.909 0.000 0.637) 1.110 5.929 ( -4.506 -0.000 6.140) 7.616 6.102 ( 0.717 0.000 2.491) 2.592 7.703 ( -3.270 -0.000 -7.544) 8.222 7.848 ( -6.994 -0.000 -13.930) 15.587 7.864 ( -0.517 -0.000 1.283) 1.383 7.920 ( 1.743 0.000 2.143) 2.762 8.735 ( 5.710 0.000 3.760) 6.837 8.943 ( -0.881 -0.000 1.332) 1.596 9.057 ( 1.133 0.000 -1.255) 1.690 9.096 ( 1.366 0.000 4.959) 5.144 9.175 ( 3.456 0.000 4.292) 5.511 9.370 ( 1.586 0.000 -6.762) 6.946 9.650 ( 0.707 0.000 1.670) 1.814 9.672 ( -5.630 -0.000 -6.818) 8.842 9.900 ( -1.069 -0.000 2.834) 3.028 10.075 ( -9.217 -0.000 -6.060) 11.031 10.571 ( 2.947 0.000 -2.150) 3.648 10.804 ( 0.540 0.000 -2.246) 2.310 10.895 ( -5.627 -0.000 8.084) 9.849 11.121 ( 6.050 0.000 1.459) 6.223 11.600 ( -2.806 -0.000 1.269) 3.080 11.600 ( 3.667 0.000 1.835) 4.101 11.716 ( 1.057 0.000 0.264) 1.089 11.822 ( -3.930 -0.000 5.307) 6.604 12.273 ( 1.746 0.000 4.800) 5.108 12.332 ( 2.186 0.000 -5.670) 6.077 12.438 ( 8.442 0.000 1.982) 8.671 12.566 ( -5.582 -0.000 -2.350) 6.057 12.936 ( 12.262 0.000 0.327) 12.266 12.977 ( 0.887 0.000 -4.156) 4.250 13.254 ( -1.973 -0.000 -2.227) 2.976 13.437 ( -6.851 -0.000 -7.038) 9.822 13.554 ( -2.525 -0.000 6.725) 7.184 13.659 ( -1.386 -0.000 3.996) 4.230 14.249 ( 9.655 0.000 8.978) 13.184 14.457 ( 2.225 0.000 0.701) 2.333 14.460 ( 1.354 0.000 -2.201) 2.584 14.863 ( -0.538 -0.000 -3.756) 3.794 14.939 ( 1.906 0.000 8.233) 8.451 15.132 ( 1.922 0.000 0.559) 2.002 15.745 ( -4.893 -0.000 -15.047) 15.823 16.173 ( -1.432 -0.000 -6.430) 6.588 16.342 ( 2.561 0.000 6.995) 7.449 16.404 ( 0.120 0.000 5.796) 5.797 16.909 ( 0.762 0.000 -1.384) 1.580 17.000 ( 0.060 0.000 -0.264) 0.270 17.071 ( 1.985 0.000 3.787) 4.275 17.492 ( -4.157 -0.000 0.387) 4.175 19.539 ( 1.810 0.000 -4.439) 4.794 19.759 ( -4.178 -0.000 -6.360) 7.609 21.033 ( -1.106 -0.000 0.844) 1.391 21.062 ( 0.224 0.000 0.720) 0.754 21.545 ( -0.040 -0.000 4.822) 4.822 21.996 ( 0.907 0.000 -2.671) 2.821 23.084 ( -0.629 -0.000 2.011) 2.107 23.328 ( 0.526 0.000 -1.667) 1.749 26.807 ( 0.153 0.000 0.773) 0.788 26.812 ( 0.188 0.000 0.564) 0.594 29.302 ( 1.609 0.000 -0.784) 1.789 29.388 ( -1.131 -0.000 -2.000) 2.298 29.721 ( 1.950 0.000 3.540) 4.041 30.259 ( 0.578 0.000 1.609) 1.710 30.280 ( 2.433 0.000 3.419) 4.196 30.928 ( 1.712 0.000 -1.613) 2.352 31.019 ( -0.016 -0.000 0.325) 0.325 31.688 ( 0.030 0.000 1.983) 1.983 31.950 ( -0.294 -0.000 -0.205) 0.359 32.039 ( -1.041 -0.000 -2.004) 2.258 32.213 ( 1.489 0.000 -3.283) 3.605 32.955 ( -2.297 -0.000 4.277) 4.855 33.345 ( 19.906 0.000 -44.683) 48.916 33.513 ( 16.034 0.000 -18.398) 24.405 34.874 ( 0.259 0.000 4.055) 4.063 35.065 ( -3.348 -0.000 0.192) 3.353 35.103 ( -3.075 -0.000 -2.209) 3.786 35.184 ( 3.442 0.000 2.175) 4.072 35.200 ( -0.979 -0.000 4.505) 4.611 35.423 ( -14.021 -0.000 11.502) 18.135 35.746 ( -10.474 -0.000 35.957) 37.451 38.353 ( -4.565 -0.000 -5.946) 7.497 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -12.351 -3.311 2.674) 13.064 1.568 ( -10.276 2.118 -3.749) 11.142 2.110 ( 5.545 0.883 -8.061) 9.824 2.183 ( -0.996 4.956 -3.301) 6.038 2.306 ( 5.894 -11.192 0.443) 12.657 2.572 ( -0.558 -12.834 3.314) 13.267 2.645 ( -14.474 -1.826 -7.769) 16.529 2.707 ( 0.289 3.038 -5.554) 6.337 3.020 ( 5.369 -13.074 -2.453) 14.345 3.105 ( 10.494 -6.744 -5.702) 13.716 3.151 ( 3.440 2.741 -10.674) 11.544 3.300 ( 0.235 2.885 0.064) 2.896 3.422 ( -1.579 6.342 -2.487) 6.992 3.502 ( -2.223 -4.255 -6.481) 8.065 3.729 ( 3.646 3.030 8.388) 9.635 3.781 ( -3.187 -0.135 4.548) 5.555 3.890 ( -2.005 -0.947 4.336) 4.870 4.115 ( 7.492 1.532 8.441) 11.390 4.219 ( 1.462 -4.564 8.336) 9.615 4.271 ( -6.289 1.564 3.563) 7.396 4.845 ( -4.308 3.014 -0.308) 5.266 4.879 ( -5.489 5.971 -3.866) 8.985 5.143 ( -2.327 0.396 2.751) 3.625 5.303 ( 1.983 -0.862 -1.359) 2.554 5.401 ( -1.116 -0.152 1.129) 1.595 5.420 ( 3.574 -0.266 2.147) 4.178 5.486 ( -5.138 -6.621 -4.900) 9.708 5.675 ( 1.249 1.055 -1.781) 2.417 5.888 ( -3.054 4.071 7.111) 8.745 6.053 ( 1.075 7.768 2.906) 8.363 7.622 ( -5.509 -0.051 -8.812) 10.393 7.738 ( -6.384 -2.552 -13.705) 15.333 7.815 ( -0.538 4.493 1.933) 4.921 7.914 ( 4.105 4.684 1.905) 6.512 8.769 ( 6.871 3.058 2.650) 7.974 8.872 ( -1.348 6.644 1.565) 6.958 8.984 ( -2.654 3.004 -4.081) 5.721 9.148 ( -0.827 0.201 -2.223) 2.380 9.258 ( 3.028 -0.501 4.492) 5.441 9.357 ( 3.754 0.982 3.530) 5.246 9.603 ( -2.901 -1.566 -6.843) 7.596 9.717 ( 5.660 -4.182 4.687) 8.455 9.908 ( -3.515 -0.987 0.500) 3.685 9.976 ( -7.611 -1.050 -6.925) 10.343 10.487 ( -1.088 9.036 -0.381) 9.109 10.762 ( -0.419 3.910 -2.823) 4.840 10.913 ( -3.370 -1.601 6.519) 7.511 11.176 ( 6.178 0.657 3.042) 6.918 11.527 ( -3.300 3.140 -1.760) 4.883 11.658 ( -3.022 -1.070 2.133) 3.850 11.744 ( 2.982 -1.798 2.666) 4.386 11.864 ( -0.559 -3.876 0.814) 4.000 12.208 ( -3.632 7.086 -3.944) 8.886 12.324 ( 4.854 2.832 1.931) 5.942 12.431 ( -2.059 6.255 -0.958) 6.655 12.543 ( 1.933 -1.266 -0.959) 2.502 12.894 ( 3.815 5.420 2.370) 7.039 12.952 ( 7.499 6.565 0.892) 10.007 13.217 ( 0.640 -1.045 -3.156) 3.386 13.450 ( -4.934 -6.141 -0.462) 7.891 13.631 ( -1.231 1.528 1.943) 2.761 13.684 ( -2.739 -9.241 4.058) 10.458 14.279 ( 8.041 5.695 4.342) 10.768 14.516 ( 2.514 -9.615 -1.773) 10.095 14.787 ( 1.901 -19.638 1.231) 19.768 14.848 ( -2.491 -0.266 -1.711) 3.034 15.083 ( 3.041 -5.924 4.908) 8.272 15.135 ( 5.820 -1.243 7.856) 9.856 15.684 ( -3.188 -4.967 -14.388) 15.551 16.109 ( -2.681 0.629 -7.473) 7.964 16.325 ( -0.203 5.324 5.179) 7.430 16.420 ( 3.665 1.590 6.612) 7.725 16.915 ( 1.037 -0.971 -1.346) 1.957 17.070 ( 1.157 -5.920 -1.230) 6.156 17.144 ( 1.545 -3.390 5.093) 6.310 17.455 ( -5.581 -0.441 -0.860) 5.664 19.582 ( 4.408 -5.026 -4.812) 8.237 19.681 ( -3.194 0.206 -7.784) 8.417 20.845 ( -2.193 14.074 2.086) 14.395 21.010 ( 1.286 9.389 -0.323) 9.482 21.712 ( -1.235 -13.777 5.621) 14.931 22.097 ( 0.492 -10.948 -2.792) 11.309 23.016 ( -1.437 7.469 2.253) 7.933 23.290 ( 0.345 3.558 -1.928) 4.062 26.900 ( -0.943 -9.902 0.753) 9.976 26.938 ( 2.394 -12.584 1.343) 12.880 29.062 ( 1.866 19.594 0.543) 19.691 29.275 ( -2.310 11.890 -4.044) 12.770 29.997 ( 0.633 -19.850 5.314) 20.558 30.288 ( 2.308 -1.693 2.275) 3.656 30.321 ( 2.550 0.161 4.195) 4.912 30.960 ( 1.574 -2.507 -1.543) 3.338 31.044 ( 1.093 -1.958 0.811) 2.384 31.583 ( -1.586 9.691 1.194) 9.892 31.785 ( -0.793 11.487 -0.886) 11.548 32.168 ( -1.528 -10.670 -2.383) 11.039 32.327 ( -0.060 -11.520 -2.743) 11.843 32.961 ( 0.275 1.135 3.970) 4.138 33.085 ( 17.074 13.584 -54.641) 58.836 33.501 ( 8.681 3.333 -6.875) 11.565 34.901 ( 1.477 0.528 4.353) 4.627 35.023 ( -3.595 4.681 5.869) 8.323 35.068 ( -5.397 2.236 4.353) 7.286 35.099 ( -2.137 -1.749 -0.879) 2.898 35.327 ( 2.482 -2.073 3.877) 5.049 35.448 ( -4.020 -4.824 -0.993) 6.357 35.965 ( -7.334 -9.081 39.266) 40.965 38.163 ( -6.309 10.891 -9.482) 15.759 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -9.301 -9.428 -0.291) 13.247 1.600 ( -6.066 -13.112 -2.880) 14.731 2.088 ( 2.730 0.424 -8.424) 8.866 2.115 ( 2.430 0.391 -2.242) 3.329 2.355 ( -12.420 0.102 -3.393) 12.875 2.582 ( 1.558 8.594 -2.024) 8.966 2.737 ( -3.590 -13.284 2.603) 14.004 2.813 ( -3.634 -13.687 -0.122) 14.162 3.047 ( 3.576 3.539 -9.437) 10.695 3.204 ( 7.704 -0.060 -7.951) 11.071 3.248 ( -3.008 1.498 -4.608) 5.703 3.299 ( 3.663 -4.411 -0.895) 5.803 3.341 ( -2.960 -6.620 0.726) 7.287 3.527 ( -5.433 -5.969 -1.697) 8.248 3.699 ( 2.050 6.642 5.224) 8.695 3.787 ( -2.104 0.122 0.985) 2.327 3.923 ( 4.217 -0.381 2.597) 4.967 4.202 ( -1.210 2.792 -0.603) 3.102 4.203 ( 6.374 -0.599 8.069) 10.300 4.396 ( 4.586 -7.786 6.284) 11.007 4.716 ( -0.555 3.967 0.662) 4.060 4.744 ( -8.079 5.634 -1.830) 10.018 5.158 ( -1.793 -0.624 4.473) 4.859 5.316 ( -2.786 6.390 2.819) 7.519 5.338 ( 2.730 -1.837 -1.490) 3.612 5.422 ( -1.518 1.241 -1.807) 2.666 5.543 ( -10.550 -7.040 -6.765) 14.375 5.672 ( 1.104 -0.089 1.162) 1.605 5.861 ( 1.741 3.014 7.868) 8.603 5.901 ( 2.469 11.200 3.703) 12.052 7.544 ( -7.561 -2.755 -8.704) 11.853 7.667 ( 1.473 4.027 -1.710) 4.617 7.751 ( -4.922 -2.096 -7.866) 9.513 7.880 ( 8.574 5.215 4.170) 10.867 8.731 ( 1.218 5.473 0.714) 5.652 8.805 ( 3.144 1.370 -0.811) 3.524 8.888 ( -2.450 3.080 -2.371) 4.594 9.053 ( -1.947 4.058 -6.429) 7.848 9.234 ( -3.717 3.028 3.568) 5.976 9.423 ( 7.832 4.459 4.909) 10.263 9.599 ( -3.397 -4.345 -3.835) 6.718 9.843 ( 2.716 2.493 -5.303) 6.459 9.909 ( -4.924 -2.317 2.206) 5.872 9.964 ( 2.950 -6.473 5.007) 8.699 10.279 ( -4.558 10.735 2.207) 11.870 10.641 ( -1.879 5.714 -2.750) 6.613 10.963 ( -0.514 -1.782 4.138) 4.535 11.220 ( 3.074 0.375 2.246) 3.825 11.434 ( -1.393 2.018 -2.595) 3.570 11.662 ( -2.335 -0.965 3.876) 4.626 11.818 ( -1.469 -0.921 1.988) 2.637 11.916 ( 0.922 -4.605 -6.849) 8.305 12.015 ( -7.759 5.484 -1.615) 9.637 12.257 ( 1.258 5.903 1.988) 6.355 12.364 ( 3.401 3.594 0.857) 5.022 12.511 ( -1.775 1.682 -5.156) 5.706 12.876 ( 3.173 6.639 7.177) 10.279 12.901 ( 4.620 2.847 1.135) 5.544 13.257 ( 2.427 -3.177 -2.248) 4.587 13.530 ( -3.875 -3.214 -2.562) 5.649 13.645 ( 2.981 -5.835 5.937) 8.842 13.835 ( -5.670 -6.906 2.432) 9.260 14.284 ( 6.024 1.692 -0.857) 6.316 14.526 ( -0.247 6.803 -7.182) 9.895 14.894 ( -5.015 -7.699 3.821) 9.951 15.054 ( 2.786 -7.054 2.284) 7.921 15.198 ( 0.797 -9.493 1.737) 9.683 15.407 ( 8.146 -6.641 9.722) 14.317 15.660 ( -1.385 -1.523 -8.950) 9.184 16.036 ( -5.136 -1.023 -7.292) 8.978 16.303 ( -0.011 0.238 3.968) 3.975 16.504 ( 9.865 -1.465 6.139) 11.711 16.938 ( 0.892 -1.638 -0.820) 2.038 17.188 ( 3.768 -6.140 -3.770) 8.131 17.227 ( -0.156 -1.531 4.996) 5.227 17.423 ( -5.468 -1.493 -1.033) 5.761 19.650 ( -0.275 -3.960 -6.374) 7.509 19.731 ( 6.180 -9.723 -5.484) 12.759 20.578 ( -2.833 14.782 2.706) 15.292 20.803 ( 1.107 13.567 -0.411) 13.619 22.001 ( -2.419 -15.548 5.035) 16.521 22.311 ( 1.054 -13.379 -2.581) 13.667 22.862 ( -1.922 9.083 3.342) 9.868 23.186 ( 0.301 7.185 -2.127) 7.499 27.129 ( -2.062 -16.406 0.085) 16.535 27.294 ( 9.302 -19.927 3.681) 22.297 28.711 ( 1.119 21.450 0.718) 21.491 28.923 ( -4.116 20.509 -6.376) 21.868 30.276 ( -1.646 -6.965 2.636) 7.626 30.358 ( 0.962 -0.321 4.059) 4.183 30.483 ( 3.793 -15.988 5.463) 17.316 31.005 ( -0.857 -3.640 -2.675) 4.598 31.110 ( 2.873 -2.441 1.536) 4.071 31.409 ( -0.698 8.242 1.601) 8.424 31.546 ( -2.495 12.873 -1.975) 13.261 32.290 ( 0.649 -2.250 -11.722) 11.954 32.495 ( -1.679 -6.582 -11.867) 13.674 32.667 ( 3.689 2.980 -25.977) 26.406 32.961 ( 0.848 2.058 3.750) 4.361 33.451 ( 4.914 5.677 -2.020) 7.775 34.918 ( 0.486 1.800 5.000) 5.336 34.945 ( -5.095 3.392 8.058) 10.119 35.050 ( -3.655 -1.953 0.695) 4.202 35.128 ( -0.853 -2.015 1.216) 2.503 35.387 ( 0.633 -0.670 6.658) 6.721 35.461 ( -3.674 -0.610 -1.400) 3.979 36.345 ( 3.820 -13.839 23.612) 27.634 37.805 ( -5.128 16.991 -11.222) 20.998 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -6.500 -14.117 -3.044) 15.837 1.847 ( -3.710 -14.900 -3.136) 15.672 2.078 ( -4.959 -1.894 0.345) 5.320 2.137 ( 4.689 -0.241 -4.947) 6.820 2.303 ( -1.613 -7.355 -0.581) 7.552 2.426 ( 2.927 7.927 0.167) 8.451 2.847 ( -4.555 -0.872 -1.129) 4.773 2.956 ( -1.492 -6.066 -6.781) 9.220 3.028 ( 3.597 -3.470 -2.431) 5.557 3.100 ( -2.756 5.062 -5.767) 8.153 3.235 ( 3.021 -2.804 -3.599) 5.472 3.372 ( 0.722 1.545 -0.971) 1.962 3.409 ( -0.295 -2.062 3.536) 4.104 3.561 ( -8.963 -1.658 1.898) 9.311 3.614 ( 0.206 5.640 5.656) 7.990 3.759 ( 0.381 -0.135 -5.745) 5.759 3.997 ( 5.535 0.521 5.571) 7.870 4.181 ( 3.337 0.062 -4.181) 5.350 4.305 ( 0.309 -4.185 3.601) 5.529 4.521 ( -4.358 4.048 -3.545) 6.924 4.609 ( 3.791 -0.794 5.213) 6.495 4.751 ( 3.297 -4.304 3.417) 6.409 5.105 ( -2.370 6.426 -0.896) 6.907 5.235 ( 1.183 3.763 5.272) 6.584 5.378 ( -6.335 -4.562 -0.999) 7.870 5.411 ( 2.248 -0.085 -1.518) 2.714 5.459 ( -9.228 1.476 -5.337) 10.762 5.674 ( 0.033 0.940 -0.907) 1.306 5.765 ( -1.920 3.655 4.164) 5.864 5.918 ( 8.890 3.137 8.921) 12.979 7.473 ( -10.189 -1.518 -6.835) 12.363 7.657 ( 6.314 0.684 3.213) 7.117 7.719 ( -7.490 -4.383 -10.599) 13.699 7.933 ( 12.552 0.668 6.858) 14.319 8.682 ( 0.999 0.442 -0.267) 1.125 8.764 ( -1.952 2.445 -2.834) 4.221 8.863 ( 3.900 -0.719 -0.334) 3.980 8.948 ( -1.080 2.898 -4.337) 5.327 9.177 ( -3.710 1.935 3.054) 5.180 9.331 ( 0.710 8.951 -0.537) 8.995 9.631 ( -3.588 -2.969 -1.442) 4.875 9.742 ( 1.153 4.598 -2.874) 5.543 9.933 ( -2.936 -2.680 1.818) 4.372 10.071 ( 2.142 6.302 1.817) 6.899 10.176 ( -1.825 -3.572 4.475) 6.010 10.527 ( -0.302 4.303 -2.060) 4.781 10.995 ( -0.669 0.270 3.157) 3.238 11.254 ( 2.770 -2.138 0.118) 3.501 11.428 ( -0.056 0.447 3.550) 3.578 11.697 ( -1.199 -1.508 2.249) 2.961 11.734 ( -5.214 2.173 -5.581) 7.941 11.884 ( -5.341 1.906 2.703) 6.282 12.024 ( 2.836 -5.052 -3.038) 6.542 12.246 ( 3.492 -2.979 1.418) 4.804 12.321 ( 2.329 4.233 -0.071) 4.832 12.429 ( -1.769 2.830 -4.676) 5.745 12.776 ( 0.903 7.600 1.745) 7.850 12.867 ( 0.372 6.160 1.771) 6.421 13.360 ( 4.411 -6.173 2.273) 7.920 13.530 ( -1.393 -2.362 -3.397) 4.366 13.835 ( -2.481 1.110 3.161) 4.168 13.892 ( -1.742 -11.951 4.257) 12.805 14.167 ( -3.411 9.775 -6.507) 12.228 14.467 ( 4.477 -2.840 -4.139) 6.726 14.982 ( -4.962 -3.792 3.017) 6.936 15.193 ( 3.610 -3.493 4.582) 6.799 15.329 ( -0.852 -4.367 -2.059) 4.903 15.440 ( 2.981 9.378 2.883) 10.254 15.742 ( 1.787 -9.625 2.512) 10.107 15.989 ( -5.092 -1.577 -6.655) 8.527 16.319 ( -3.380 -1.800 -0.975) 3.951 16.625 ( 11.389 2.351 4.561) 12.491 16.996 ( 2.627 -3.030 2.003) 4.483 17.189 ( -0.437 2.414 -4.972) 5.544 17.339 ( 3.558 -4.307 4.046) 6.898 17.410 ( -5.181 -2.008 -1.291) 5.704 19.749 ( 1.667 -9.558 -3.390) 10.277 19.947 ( 7.286 -11.270 -6.487) 14.906 20.326 ( -3.183 12.156 3.841) 13.140 20.560 ( -0.116 13.772 -0.747) 13.793 22.255 ( -4.118 -13.192 3.158) 14.176 22.529 ( 2.570 -9.004 -1.459) 9.477 22.728 ( -0.853 5.693 3.633) 6.807 23.020 ( 0.355 10.242 -2.347) 10.513 27.441 ( -2.039 -20.504 -0.611) 20.614 27.774 ( 14.500 -19.035 5.727) 24.605 28.329 ( 0.436 22.741 1.316) 22.783 28.465 ( -6.031 20.482 -7.919) 22.773 30.359 ( -0.775 -2.851 0.970) 3.109 30.398 ( -1.006 -1.451 3.648) 4.052 30.786 ( -0.349 -12.057 2.609) 12.341 31.045 ( -2.954 -2.678 -2.598) 4.759 31.145 ( 1.528 1.120 0.044) 1.895 31.273 ( -1.553 10.277 -0.873) 10.430 31.373 ( 2.869 0.622 -0.687) 3.015 32.015 ( 0.894 8.840 -23.311) 24.947 32.559 ( -2.681 -9.071 -2.349) 9.747 32.796 ( 2.501 -10.814 -4.320) 11.910 32.945 ( -0.549 1.975 4.815) 5.234 33.341 ( 2.189 9.091 -0.580) 9.369 34.894 ( -4.722 1.844 7.738) 9.250 34.924 ( -1.683 0.628 2.365) 2.970 35.081 ( -2.401 -2.680 2.938) 4.645 35.160 ( -0.099 -0.671 2.365) 2.460 35.400 ( -5.508 2.881 4.944) 7.943 35.450 ( 1.080 -2.017 0.937) 2.473 36.745 ( 8.620 -15.379 9.229) 19.900 37.385 ( -3.605 19.221 -10.784) 22.333 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -16.946 -0.000 2.223) 17.092 1.399 ( -25.979 -0.000 -9.259) 27.579 2.090 ( 2.621 0.000 -9.645) 9.995 2.207 ( -6.280 -0.000 2.537) 6.773 2.250 ( -8.168 -0.000 -5.550) 9.875 2.470 ( 0.020 0.000 -10.906) 10.906 2.485 ( 2.197 0.000 8.364) 8.647 2.701 ( 1.750 0.000 -6.499) 6.730 2.919 ( 6.232 0.000 -1.663) 6.451 3.082 ( 9.095 0.000 -5.709) 10.739 3.179 ( 4.775 0.000 -4.503) 6.564 3.289 ( -5.387 -0.000 -6.545) 8.477 3.438 ( 1.573 0.000 -4.987) 5.230 3.439 ( -5.781 -0.000 -1.641) 6.009 3.817 ( 0.906 0.000 2.309) 2.480 3.831 ( 1.476 0.000 12.421) 12.509 3.875 ( 0.419 0.000 3.274) 3.301 4.239 ( -0.374 -0.000 5.493) 5.506 4.239 ( 1.418 0.000 9.395) 9.501 4.259 ( 1.650 0.000 7.335) 7.518 4.818 ( -6.839 -0.000 0.816) 6.888 4.855 ( -8.969 -0.000 -5.768) 10.663 5.118 ( -4.101 -0.000 -1.453) 4.351 5.270 ( -1.438 -0.000 0.199) 1.452 5.369 ( -4.859 -0.000 -2.450) 5.441 5.429 ( 7.938 0.000 4.554) 9.151 5.519 ( 2.185 0.000 4.314) 4.835 5.663 ( -0.756 -0.000 -2.731) 2.833 5.943 ( -1.876 -0.000 6.953) 7.201 6.155 ( 2.257 0.000 2.831) 3.620 7.528 ( -6.208 -0.000 -9.304) 11.185 7.555 ( -7.475 -0.000 -15.298) 17.027 7.880 ( -0.106 -0.000 2.318) 2.320 7.985 ( 3.109 0.000 1.195) 3.331 8.863 ( 4.495 0.000 1.728) 4.816 8.930 ( -2.931 -0.000 1.214) 3.173 8.967 ( -4.061 -0.000 -6.208) 7.418 9.132 ( 0.498 0.000 -2.886) 2.928 9.295 ( 0.157 0.000 2.623) 2.627 9.400 ( -1.970 -0.000 5.388) 5.736 9.561 ( 7.989 0.000 -2.826) 8.474 9.729 ( 2.673 0.000 6.385) 6.922 9.871 ( -2.274 -0.000 -6.892) 7.257 9.874 ( -3.178 -0.000 -2.379) 3.970 10.554 ( -1.938 -0.000 -1.642) 2.540 10.801 ( 2.052 0.000 -2.070) 2.914 10.924 ( -2.654 -0.000 9.419) 9.786 11.262 ( 8.081 0.000 3.707) 8.890 11.511 ( -7.229 -0.000 0.194) 7.231 11.639 ( -0.280 -0.000 -1.026) 1.064 11.747 ( 1.384 0.000 -2.409) 2.779 11.832 ( -0.766 -0.000 3.526) 3.608 12.278 ( -4.046 -0.000 -4.137) 5.786 12.344 ( 1.628 0.000 4.428) 4.718 12.473 ( -3.077 -0.000 0.310) 3.093 12.567 ( 3.157 0.000 -3.134) 4.449 12.972 ( 3.360 0.000 -1.175) 3.559 13.080 ( 8.043 0.000 -7.185) 10.785 13.223 ( -0.856 -0.000 4.571) 4.650 13.327 ( -0.328 -0.000 -0.694) 0.767 13.597 ( -1.728 -0.000 6.492) 6.718 13.667 ( -3.132 -0.000 3.370) 4.601 14.417 ( 4.182 0.000 0.270) 4.191 14.465 ( 2.355 0.000 -2.459) 3.405 14.575 ( 5.813 0.000 7.758) 9.694 14.825 ( 1.163 0.000 -3.453) 3.643 15.106 ( 3.483 0.000 10.152) 10.733 15.178 ( 2.184 0.000 1.910) 2.902 15.537 ( 0.382 0.000 -10.254) 10.261 16.046 ( -1.288 -0.000 -13.264) 13.327 16.423 ( -0.007 -0.000 3.663) 3.663 16.460 ( -1.133 -0.000 5.635) 5.748 16.912 ( 1.005 0.000 -0.262) 1.039 17.006 ( 1.419 0.000 -0.747) 1.604 17.164 ( 1.655 0.000 7.241) 7.427 17.388 ( -7.429 -0.000 -2.714) 7.910 19.558 ( 6.828 0.000 -4.121) 7.975 19.608 ( -3.337 -0.000 -9.073) 9.667 21.012 ( -2.313 -0.000 0.387) 2.345 21.081 ( 0.701 0.000 1.429) 1.592 21.600 ( -1.384 -0.000 7.154) 7.287 21.967 ( -0.161 -0.000 -3.274) 3.278 23.094 ( -0.660 -0.000 1.443) 1.587 23.313 ( 0.353 0.000 -1.879) 1.912 26.815 ( -0.317 -0.000 0.914) 0.968 26.820 ( -0.245 -0.000 0.796) 0.832 29.327 ( 1.574 0.000 -0.473) 1.644 29.329 ( -2.909 -0.000 -2.657) 3.940 29.807 ( 0.385 0.000 8.688) 8.697 30.295 ( 1.398 0.000 1.725) 2.220 30.376 ( 3.577 0.000 4.462) 5.719 30.956 ( 3.831 0.000 -1.250) 4.030 31.039 ( 1.362 0.000 1.638) 2.131 31.683 ( -2.751 -0.000 0.537) 2.803 31.949 ( 0.164 0.000 0.345) 0.382 31.964 ( -4.899 -0.000 -2.720) 5.603 32.176 ( -1.239 -0.000 -2.986) 3.233 32.997 ( 20.256 0.000 -76.318) 78.960 33.000 ( 2.727 0.000 2.410) 3.639 33.560 ( 9.076 0.000 -7.706) 11.906 34.928 ( -0.263 -0.000 1.960) 1.978 35.036 ( -2.552 -0.000 -1.738) 3.087 35.065 ( 1.081 0.000 5.993) 6.090 35.216 ( -2.182 -0.000 2.782) 3.535 35.262 ( 3.357 0.000 2.068) 3.943 35.383 ( -1.831 -0.000 2.291) 2.933 36.082 ( -14.493 -0.000 61.501) 63.185 38.140 ( -8.507 -0.000 -12.444) 15.074 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -21.112 -6.149 0.498) 21.995 1.270 ( -18.034 -11.348 -6.213) 22.195 2.045 ( -14.925 -4.943 -10.210) 18.746 2.116 ( -14.459 -5.483 -7.304) 17.101 2.139 ( -1.731 3.917 -0.747) 4.347 2.528 ( 6.853 -3.853 -1.499) 8.003 2.623 ( 1.027 -6.791 3.677) 7.791 2.664 ( 1.028 1.364 -3.249) 3.671 3.047 ( 0.198 -8.372 -0.321) 8.381 3.102 ( -0.988 4.634 -7.910) 9.221 3.176 ( 8.606 -5.584 -7.446) 12.676 3.269 ( -2.644 -2.832 -3.896) 5.495 3.361 ( -1.261 2.833 2.350) 3.891 3.411 ( -2.315 -0.236 -1.835) 2.963 3.801 ( 0.514 1.956 1.604) 2.582 3.876 ( 2.849 5.113 4.731) 7.526 3.934 ( 3.145 -2.520 5.788) 7.053 4.224 ( -1.665 0.194 0.234) 1.692 4.327 ( 4.324 1.498 9.647) 10.677 4.348 ( 5.651 -3.460 5.347) 8.514 4.743 ( -5.765 1.702 -0.552) 6.036 4.762 ( -7.149 1.930 1.486) 7.552 5.081 ( -5.870 -1.607 -1.520) 6.273 5.295 ( -2.674 -2.660 -0.811) 3.857 5.333 ( -4.806 -2.753 -3.108) 6.351 5.437 ( 2.106 6.712 1.440) 7.180 5.535 ( 3.467 3.372 6.578) 8.164 5.663 ( -0.362 -1.527 -1.603) 2.244 5.963 ( 1.669 1.849 8.380) 8.742 6.123 ( 3.650 7.287 3.190) 8.752 7.399 ( -7.772 -0.435 -9.099) 11.974 7.508 ( -4.860 -5.618 -12.259) 14.334 7.846 ( 0.848 5.325 2.374) 5.892 7.999 ( 3.635 1.244 0.867) 3.938 8.837 ( -2.292 5.783 -0.922) 6.289 8.862 ( 0.366 2.896 -1.253) 3.176 8.901 ( -2.330 1.165 -0.933) 2.767 9.079 ( -0.329 3.296 -4.701) 5.751 9.265 ( -5.068 2.042 2.079) 5.846 9.443 ( -4.384 -5.031 1.593) 6.861 9.634 ( 13.841 5.053 2.550) 14.954 9.777 ( -4.722 -3.857 -1.796) 6.356 9.852 ( -4.975 -2.855 -3.053) 6.498 9.927 ( 10.537 -3.219 3.606) 11.593 10.441 ( -3.893 8.958 0.478) 9.779 10.738 ( 1.039 6.579 -2.529) 7.125 10.974 ( 0.726 -0.941 8.849) 8.928 11.309 ( 5.218 3.918 2.687) 7.057 11.434 ( -3.734 1.516 -1.866) 4.442 11.630 ( -2.611 -1.581 0.282) 3.065 11.779 ( 0.561 -4.320 -4.017) 5.926 11.835 ( -1.660 1.189 -1.659) 2.630 12.082 ( -10.925 9.718 2.065) 14.767 12.368 ( 0.096 3.686 2.458) 4.431 12.442 ( 1.841 0.924 -0.611) 2.149 12.510 ( -1.396 3.094 -4.964) 6.014 12.982 ( 4.558 1.748 2.311) 5.401 13.037 ( 4.524 4.683 -5.600) 8.588 13.212 ( -0.154 -0.284 3.847) 3.861 13.425 ( 0.500 -5.950 0.150) 5.973 13.648 ( -0.332 0.980 2.132) 2.369 13.686 ( -2.732 -6.379 4.252) 8.138 14.382 ( 2.323 5.010 -1.029) 5.617 14.544 ( 3.947 -2.795 -3.731) 6.108 14.720 ( -7.823 -6.115 0.343) 9.936 14.903 ( 5.648 -10.557 2.391) 12.209 15.141 ( 2.214 -2.118 2.379) 3.879 15.351 ( 3.767 -10.650 3.502) 11.827 15.566 ( 4.998 -2.281 -2.579) 6.069 15.980 ( 0.451 -0.859 -10.168) 10.214 16.376 ( 0.082 3.559 4.042) 5.386 16.536 ( 4.995 -4.718 3.122) 7.547 16.922 ( 1.068 -0.522 0.267) 1.218 17.076 ( 3.146 -6.065 -3.932) 7.883 17.233 ( 0.034 -1.549 7.604) 7.760 17.328 ( -7.526 -1.967 -3.221) 8.419 19.554 ( -0.921 -2.020 -7.556) 7.876 19.632 ( 7.973 -4.329 -4.152) 9.978 20.827 ( -2.930 13.882 1.864) 14.309 21.027 ( 1.100 9.474 -0.064) 9.538 21.758 ( -2.553 -12.505 7.568) 14.838 22.068 ( 0.251 -11.772 -3.032) 12.159 23.015 ( -1.532 7.573 2.127) 8.014 23.276 ( 0.718 3.661 -1.863) 4.170 26.894 ( -0.880 -8.787 0.650) 8.855 27.022 ( 6.705 -19.490 2.613) 20.776 29.074 ( -1.620 18.860 -0.385) 18.933 29.201 ( -1.048 14.436 -2.981) 14.778 30.057 ( -2.204 -15.957 7.105) 17.606 30.350 ( 2.469 -4.296 1.653) 5.224 30.414 ( 2.287 0.843 4.500) 5.118 30.954 ( 0.403 1.100 -3.409) 3.605 31.094 ( 2.587 -2.784 2.160) 4.371 31.548 ( -3.516 8.618 -0.725) 9.335 31.746 ( -2.699 12.568 -0.956) 12.889 32.097 ( -2.234 -10.860 -5.345) 12.308 32.285 ( -0.502 -9.972 -6.251) 11.780 32.571 ( 7.675 7.266 -69.916) 70.711 33.024 ( 3.411 1.381 1.553) 3.994 33.555 ( 6.142 3.235 -4.046) 8.035 34.936 ( -1.727 -0.727 0.921) 2.087 35.010 ( -2.215 -0.288 -0.530) 2.295 35.071 ( -2.888 8.539 7.776) 11.905 35.130 ( 2.591 -0.561 6.829) 7.326 35.387 ( -1.161 -2.036 -2.653) 3.540 35.407 ( 1.737 -3.574 3.659) 5.402 36.390 ( -5.885 -3.761 56.476) 56.907 37.924 ( -6.477 8.671 -13.461) 17.272 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -17.098 -13.915 2.129) 22.147 1.446 ( -10.927 -20.147 -3.985) 23.264 2.000 ( -10.989 -6.617 -1.611) 12.928 2.096 ( -10.262 -6.781 -0.990) 12.340 2.138 ( 8.711 -3.324 -6.216) 11.206 2.533 ( -4.978 2.185 -4.243) 6.896 2.697 ( 0.388 -6.576 -6.236) 9.070 2.745 ( -6.107 -6.690 1.621) 9.203 2.995 ( 0.915 0.600 -5.792) 5.895 3.107 ( -0.330 -0.515 -4.966) 5.004 3.233 ( 2.726 1.583 -4.201) 5.252 3.296 ( 0.987 -5.420 -2.636) 6.108 3.380 ( -4.321 -4.214 -1.114) 6.138 3.476 ( -0.071 -3.487 11.110) 11.644 3.746 ( -1.527 4.804 -3.578) 6.182 3.802 ( 6.011 6.741 2.139) 9.282 4.052 ( 4.929 -3.452 6.992) 9.225 4.191 ( 1.377 1.745 -2.820) 3.591 4.326 ( -1.083 4.903 3.622) 6.191 4.512 ( 2.894 -3.776 -1.656) 5.038 4.628 ( -5.459 2.941 7.397) 9.653 4.773 ( 5.182 -2.392 2.395) 6.190 5.110 ( -5.621 -8.236 -1.258) 10.050 5.231 ( -2.401 7.418 -3.826) 8.685 5.300 ( -8.659 -0.417 -2.986) 9.169 5.408 ( 2.714 -2.761 1.191) 4.051 5.498 ( 2.280 7.161 6.784) 10.124 5.671 ( -1.201 -0.362 -1.173) 1.718 5.919 ( 0.518 9.094 2.690) 9.498 6.096 ( 9.296 2.653 8.641) 12.966 7.332 ( -8.344 -1.936 -3.652) 9.312 7.507 ( -6.135 -5.640 -11.379) 14.104 7.773 ( 4.550 4.746 2.311) 6.969 8.035 ( 6.786 -0.992 1.569) 7.035 8.732 ( 0.588 3.784 -0.604) 3.877 8.786 ( -2.607 3.299 -1.973) 4.645 8.875 ( -0.234 0.519 0.126) 0.583 8.991 ( 0.222 3.953 -2.107) 4.485 9.197 ( -5.762 2.058 2.187) 6.498 9.478 ( -7.378 4.107 0.487) 8.458 9.560 ( 5.092 1.399 -3.540) 6.358 9.780 ( 0.359 1.491 -4.871) 5.106 9.880 ( -0.120 -3.032 2.075) 3.676 10.094 ( 2.174 -6.407 4.409) 8.076 10.233 ( -3.835 10.674 2.506) 11.615 10.608 ( 0.079 6.675 -1.602) 6.865 11.042 ( 1.914 1.353 5.925) 6.372 11.270 ( 3.439 0.773 0.942) 3.648 11.436 ( 0.318 -0.711 2.857) 2.961 11.653 ( -3.670 -1.347 -2.327) 4.550 11.734 ( -2.716 2.773 -2.164) 4.444 11.856 ( -1.535 -6.132 -1.281) 6.449 11.907 ( -7.654 1.637 0.099) 7.828 12.313 ( 3.095 3.832 2.673) 5.605 12.420 ( 0.558 2.277 -1.558) 2.814 12.427 ( 0.244 3.333 -2.701) 4.297 12.921 ( 0.913 7.006 -2.880) 7.630 12.986 ( 1.385 4.866 2.280) 5.549 13.289 ( 1.109 -5.474 3.467) 6.573 13.485 ( 0.307 -2.354 -2.084) 3.159 13.709 ( -0.498 -6.482 1.273) 6.625 13.793 ( -1.323 -5.098 2.664) 5.902 14.257 ( -5.236 8.427 -6.506) 11.864 14.459 ( -0.800 1.208 -3.120) 3.440 14.846 ( -5.106 -8.403 2.191) 10.074 15.160 ( 5.864 -10.646 2.871) 12.488 15.252 ( 4.909 -2.292 2.565) 5.994 15.526 ( 1.098 -6.037 -3.392) 7.011 15.624 ( 0.889 -4.289 0.330) 4.392 15.907 ( -2.763 4.410 -1.880) 5.533 16.345 ( 0.407 3.454 2.338) 4.191 16.740 ( 13.777 -3.447 3.106) 14.537 16.972 ( 2.659 -3.250 2.769) 5.029 17.171 ( 4.037 -2.527 -8.934) 10.124 17.299 ( -2.629 -4.197 -0.055) 4.953 17.318 ( -2.186 -3.032 3.500) 5.121 19.599 ( 1.738 -6.471 -3.963) 7.785 19.788 ( 8.926 -9.014 -5.598) 13.866 20.559 ( -3.391 14.384 2.549) 14.996 20.810 ( 0.590 14.235 -0.760) 14.268 22.001 ( -5.513 -13.439 4.955) 15.347 22.299 ( 0.996 -14.476 -2.707) 14.760 22.889 ( 0.223 7.757 4.693) 9.068 23.170 ( 0.852 7.591 -2.045) 7.908 27.105 ( -1.107 -15.366 -0.016) 15.406 27.573 ( 21.270 -23.629 6.139) 32.379 28.694 ( -3.570 20.657 -1.637) 21.027 28.810 ( -1.907 23.981 -4.773) 24.526 30.260 ( -3.848 -7.162 0.235) 8.133 30.394 ( -1.609 0.162 2.139) 2.682 30.572 ( -0.251 -12.717 5.011) 13.671 30.916 ( -6.675 -3.812 -6.751) 10.231 31.171 ( 3.854 -1.477 -0.238) 4.134 31.394 ( -2.903 4.468 -0.337) 5.339 31.475 ( -2.675 13.508 -2.228) 13.949 31.984 ( 1.666 4.450 -39.413) 39.698 32.337 ( -3.137 -11.607 -2.523) 12.285 32.573 ( 0.808 -13.360 -3.044) 13.726 33.015 ( 2.013 3.002 1.495) 3.911 33.492 ( 3.474 6.241 -2.434) 7.546 34.925 ( -3.583 0.628 1.902) 4.105 34.953 ( -4.805 3.534 5.431) 8.067 35.048 ( 1.168 -1.324 3.210) 3.664 35.188 ( 2.113 0.366 6.269) 6.626 35.380 ( -2.923 -0.521 -2.983) 4.209 35.468 ( -1.722 -0.288 8.066) 8.253 36.686 ( 1.972 -5.212 26.796) 27.369 37.609 ( -2.127 14.925 -11.690) 19.077 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -28.188 -0.000 -14.383) 31.646 1.009 ( -27.208 -0.000 5.181) 27.697 1.631 ( -43.419 -0.000 -9.966) 44.548 2.004 ( -3.678 -0.000 -4.963) 6.177 2.142 ( -6.303 -0.000 0.886) 6.365 2.521 ( -5.457 -0.000 -2.161) 5.869 2.634 ( 12.739 0.000 0.743) 12.761 2.711 ( 4.909 0.000 1.026) 5.015 3.003 ( 6.383 0.000 -0.841) 6.438 3.043 ( -9.505 -0.000 -10.243) 13.973 3.130 ( 4.843 0.000 -5.645) 7.438 3.223 ( 4.066 0.000 -3.820) 5.579 3.368 ( -2.637 -0.000 0.689) 2.725 3.430 ( -1.718 -0.000 9.914) 10.062 3.840 ( 0.386 0.000 -0.351) 0.522 3.908 ( 3.873 0.000 -0.574) 3.915 4.025 ( 3.076 0.000 10.446) 10.890 4.213 ( 0.145 0.000 0.850) 0.862 4.370 ( 6.605 0.000 2.766) 7.161 4.436 ( 2.460 0.000 8.203) 8.564 4.688 ( -6.702 -0.000 -1.929) 6.974 4.757 ( -5.457 -0.000 9.647) 11.083 5.019 ( -5.473 -0.000 -2.349) 5.956 5.254 ( -4.453 -0.000 -1.250) 4.625 5.288 ( 0.265 0.000 2.545) 2.559 5.559 ( -3.719 -0.000 2.411) 4.432 5.598 ( 4.433 0.000 -4.738) 6.489 5.632 ( 3.835 0.000 5.388) 6.613 6.038 ( 2.427 0.000 7.249) 7.644 6.232 ( 3.689 0.000 2.470) 4.440 7.311 ( -5.018 -0.000 -9.600) 10.832 7.341 ( -5.292 -0.000 -6.218) 8.165 7.913 ( 0.466 0.000 2.524) 2.567 8.019 ( 0.898 0.000 -0.837) 1.228 8.847 ( -2.710 -0.000 -4.571) 5.314 8.875 ( -4.965 -0.000 -0.012) 4.965 8.885 ( -2.652 -0.000 -0.131) 2.655 9.094 ( 0.590 0.000 -2.691) 2.755 9.242 ( -8.418 -0.000 1.979) 8.647 9.406 ( 1.307 0.000 4.745) 4.922 9.690 ( -2.554 -0.000 -2.176) 3.355 9.757 ( -5.590 -0.000 -5.253) 7.671 9.840 ( 16.757 0.000 4.491) 17.348 10.002 ( 11.243 0.000 2.566) 11.532 10.503 ( -3.341 -0.000 0.976) 3.481 10.811 ( 3.905 0.000 -4.305) 5.813 11.026 ( 0.950 0.000 10.354) 10.397 11.388 ( -7.435 -0.000 -2.981) 8.010 11.438 ( 8.748 0.000 4.160) 9.686 11.584 ( -1.733 -0.000 -4.876) 5.174 11.713 ( -0.696 -0.000 -2.475) 2.571 11.844 ( -0.327 -0.000 -1.087) 1.136 12.157 ( -10.589 -0.000 6.218) 12.280 12.402 ( 1.437 0.000 1.833) 2.329 12.454 ( -1.434 -0.000 0.449) 1.503 12.475 ( -4.329 -0.000 -7.627) 8.770 13.035 ( 4.217 0.000 -13.785) 14.415 13.043 ( 4.336 0.000 1.900) 4.734 13.298 ( -0.638 -0.000 5.912) 5.946 13.375 ( 3.983 0.000 0.691) 4.043 13.639 ( -3.923 -0.000 1.677) 4.266 13.642 ( -0.269 -0.000 4.171) 4.179 14.454 ( 1.432 0.000 -0.352) 1.475 14.464 ( 1.384 0.000 -3.641) 3.896 14.716 ( 4.507 0.000 3.679) 5.818 14.815 ( 2.093 0.000 -4.525) 4.986 15.100 ( -5.507 -0.000 -4.594) 7.172 15.235 ( 1.766 0.000 2.349) 2.939 15.674 ( 13.287 0.000 9.543) 16.359 15.803 ( -2.829 -0.000 -27.974) 28.116 16.423 ( -3.686 -0.000 1.275) 3.900 16.492 ( -1.092 -0.000 2.636) 2.853 16.937 ( 1.593 0.000 1.340) 2.081 17.021 ( 2.362 0.000 -2.089) 3.154 17.223 ( -8.168 -0.000 -4.457) 9.305 17.262 ( -0.956 -0.000 8.292) 8.347 19.488 ( -0.335 -0.000 -6.259) 6.268 19.648 ( 8.689 0.000 -1.415) 8.803 20.977 ( -2.542 -0.000 0.317) 2.561 21.114 ( 1.037 0.000 1.976) 2.231 21.669 ( -1.331 -0.000 9.553) 9.646 21.926 ( 0.003 0.000 -3.480) 3.480 23.095 ( -0.682 -0.000 0.890) 1.121 23.302 ( 0.777 0.000 -1.671) 1.843 26.816 ( -0.665 -0.000 0.552) 0.864 26.821 ( -0.624 -0.000 0.463) 0.777 29.254 ( -2.924 -0.000 -2.244) 3.686 29.327 ( -0.761 -0.000 -0.386) 0.854 29.913 ( -1.364 -0.000 10.763) 10.849 30.330 ( 1.368 0.000 0.402) 1.426 30.468 ( 2.581 0.000 3.053) 3.998 31.005 ( 5.036 0.000 -3.880) 6.357 31.091 ( 1.225 0.000 3.458) 3.669 31.566 ( -4.019 -0.000 -26.585) 26.887 31.844 ( -6.289 -0.000 -2.522) 6.776 31.958 ( 0.105 0.000 0.454) 0.466 32.126 ( -1.261 -0.000 -1.962) 2.333 32.172 ( 0.181 0.000 -94.672) 94.673 33.072 ( 4.389 0.000 0.028) 4.389 33.608 ( 5.677 0.000 -4.544) 7.272 34.915 ( -2.102 -0.000 0.966) 2.313 34.988 ( -1.631 -0.000 -1.119) 1.978 35.200 ( 3.141 0.000 8.741) 9.289 35.211 ( 0.541 0.000 -0.783) 0.952 35.327 ( 2.421 0.000 1.691) 2.954 35.393 ( 1.248 0.000 -0.483) 1.338 36.774 ( -2.394 -0.000 91.928) 91.959 37.867 ( -5.602 -0.000 -14.764) 15.791 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -20.945 -18.451 2.444) 28.020 0.939 ( -22.329 -17.578 3.197) 28.597 1.429 ( -37.207 -22.780 -5.452) 43.966 1.968 ( -9.127 -1.683 1.453) 9.393 2.120 ( -0.121 -3.321 -2.645) 4.248 2.469 ( -6.554 -0.387 -6.479) 9.224 2.668 ( 2.480 3.556 -1.786) 4.689 2.734 ( 5.571 3.327 1.288) 6.615 2.952 ( 0.439 -2.124 -7.781) 8.078 3.046 ( 0.364 -2.410 -0.915) 2.603 3.185 ( 2.892 -4.368 -6.906) 8.668 3.239 ( 1.766 -0.989 -3.862) 4.360 3.331 ( -1.629 1.511 2.538) 3.373 3.540 ( 5.937 -1.628 15.445) 16.627 3.794 ( 0.032 3.747 -3.579) 5.182 3.940 ( 5.310 0.815 -3.536) 6.431 4.073 ( 1.023 0.675 10.197) 10.271 4.229 ( 1.347 1.411 0.517) 2.018 4.446 ( -1.894 3.896 7.126) 8.339 4.460 ( 8.423 -2.076 -6.893) 11.080 4.684 ( -4.339 -1.389 4.102) 6.130 4.751 ( -2.209 1.325 10.826) 11.128 4.968 ( -4.977 -0.991 -2.623) 5.713 5.186 ( -4.496 0.317 -0.063) 4.508 5.324 ( -2.011 -0.660 2.239) 3.082 5.428 ( -2.154 5.868 -2.553) 6.752 5.613 ( -2.152 -1.118 -1.888) 3.073 5.685 ( 6.644 3.253 2.288) 7.743 6.062 ( 1.010 4.025 2.879) 5.051 6.235 ( 4.908 2.853 3.257) 6.545 7.258 ( -3.428 -0.678 1.810) 3.936 7.330 ( -3.801 -3.741 -3.617) 6.444 7.891 ( 1.592 3.625 1.644) 4.287 8.034 ( 1.969 -1.934 -1.539) 3.161 8.779 ( -3.932 2.909 -0.877) 4.969 8.816 ( -1.686 2.690 -1.016) 3.333 8.850 ( -5.305 -0.769 -0.161) 5.362 9.054 ( 0.382 3.574 -1.103) 3.760 9.177 ( -8.155 0.624 1.951) 8.409 9.457 ( 0.383 0.262 5.849) 5.867 9.614 ( -4.071 3.768 -9.497) 10.999 9.741 ( -0.786 -2.955 -3.478) 4.631 9.892 ( 3.126 2.874 1.618) 4.545 10.088 ( 7.160 -0.391 2.092) 7.470 10.406 ( -3.022 8.733 3.343) 9.827 10.746 ( 3.955 7.527 -2.173) 8.776 11.114 ( 2.170 -0.218 8.190) 8.475 11.310 ( 0.512 -0.417 -1.927) 2.037 11.455 ( -0.715 2.670 0.221) 2.773 11.570 ( -0.906 -2.206 -2.659) 3.572 11.717 ( -0.753 -1.577 -0.690) 1.879 11.798 ( -0.818 2.789 -1.425) 3.237 11.931 ( -15.081 8.963 4.011) 17.996 12.403 ( 0.154 1.632 -0.157) 1.647 12.419 ( 0.536 1.739 2.008) 2.710 12.460 ( -0.060 -1.000 -3.600) 3.737 12.975 ( 2.353 1.648 -11.540) 11.892 13.067 ( 2.308 2.151 1.105) 3.343 13.265 ( -2.877 0.309 7.166) 7.728 13.426 ( 1.047 -1.561 -1.676) 2.518 13.668 ( 2.037 -2.634 0.411) 3.355 13.706 ( 0.104 -4.678 2.078) 5.120 14.307 ( -7.774 7.686 -8.034) 13.567 14.484 ( -5.044 7.556 -2.257) 9.361 14.653 ( -1.962 -10.874 1.679) 11.177 14.996 ( 3.277 -11.553 0.327) 12.013 15.258 ( 8.978 -7.516 5.231) 12.824 15.331 ( -0.660 -8.341 -4.480) 9.491 15.613 ( 2.801 0.409 -9.028) 9.461 15.981 ( 5.984 -2.438 -0.040) 6.461 16.419 ( 1.872 1.589 0.982) 2.644 16.664 ( 15.288 -20.299 -7.696) 26.552 16.965 ( 2.477 -1.018 2.721) 3.818 17.066 ( 3.777 -4.877 -8.352) 10.382 17.171 ( -6.740 -3.194 -3.614) 8.288 17.304 ( -2.036 -1.541 7.469) 7.893 19.502 ( 2.215 -3.966 -3.047) 5.470 19.723 ( 7.801 -2.652 -1.864) 8.448 20.802 ( -2.766 13.810 1.797) 14.198 21.040 ( 0.792 10.392 -0.280) 10.426 21.783 ( -6.065 -8.037 6.491) 11.979 22.040 ( 0.523 -12.402 -3.101) 12.795 23.035 ( 0.297 5.352 3.779) 6.558 23.273 ( 1.613 3.729 -1.814) 4.450 26.887 ( -0.674 -8.318 0.162) 8.347 27.272 ( 25.952 -35.948 2.639) 44.415 29.009 ( -3.845 18.746 -2.812) 19.342 29.165 ( -1.194 18.023 -2.676) 18.259 30.062 ( -6.523 -9.107 0.923) 11.240 30.385 ( -0.595 -1.692 -1.068) 2.088 30.433 ( -7.978 0.215 -2.899) 8.491 30.737 ( -13.820 1.264 -26.845) 30.220 31.132 ( 0.874 -3.412 -1.600) 3.868 31.449 ( 4.430 -3.327 -15.831) 16.772 31.693 ( -2.426 13.725 -3.120) 14.282 31.705 ( -3.120 -4.355 -36.809) 37.196 32.086 ( -2.601 -12.463 -0.778) 12.755 32.307 ( -0.465 -14.712 -1.267) 14.774 33.086 ( 3.604 1.919 -0.610) 4.128 33.588 ( 3.716 3.499 -3.875) 6.408 34.911 ( -2.261 -0.282 1.311) 2.629 34.971 ( -2.665 0.382 0.867) 2.829 35.129 ( 1.757 5.707 3.621) 6.984 35.260 ( 1.291 0.899 7.962) 8.116 35.338 ( -1.607 0.034 -1.710) 2.347 35.465 ( 0.481 -3.515 3.036) 4.670 37.019 ( -3.851 21.357 61.476) 65.194 37.737 ( 1.676 6.175 -9.036) 11.072 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( -26.245 -0.000 -7.664) 27.341 0.666 ( -31.695 -0.000 15.219) 35.159 0.866 ( -47.656 -0.000 10.668) 48.836 1.905 ( -10.788 -0.000 9.855) 14.612 2.042 ( -5.409 -0.000 -2.946) 6.160 2.367 ( -0.098 -0.000 -10.305) 10.306 2.768 ( 4.641 0.000 -2.543) 5.292 2.785 ( -0.384 -0.000 1.640) 1.684 2.893 ( 4.072 0.000 -6.793) 7.920 3.067 ( 4.113 0.000 -2.305) 4.715 3.104 ( 0.633 0.000 -6.035) 6.068 3.232 ( 1.128 0.000 2.268) 2.533 3.374 ( 0.116 0.000 3.747) 3.749 3.659 ( 9.144 0.000 14.288) 16.964 3.822 ( 0.743 0.000 -3.388) 3.469 3.934 ( 1.905 0.000 -4.214) 4.624 4.149 ( 0.263 0.000 7.260) 7.265 4.266 ( 2.728 0.000 2.935) 4.007 4.458 ( 6.455 0.000 -11.133) 12.869 4.500 ( -3.154 -0.000 3.541) 4.742 4.598 ( -3.852 -0.000 0.079) 3.853 4.920 ( -3.248 -0.000 -2.321) 3.992 5.009 ( 12.425 0.000 17.821) 21.724 5.190 ( -1.220 -0.000 0.401) 1.284 5.316 ( -4.488 -0.000 2.610) 5.191 5.440 ( -8.496 -0.000 -6.025) 10.415 5.556 ( 0.912 0.000 -5.069) 5.150 5.760 ( 5.730 0.000 -3.022) 6.478 6.108 ( -0.555 -0.000 0.953) 1.103 6.298 ( 2.001 0.000 0.059) 2.002 7.251 ( 1.255 0.000 6.194) 6.320 7.390 ( 13.062 0.000 23.292) 26.705 7.931 ( -1.103 -0.000 0.704) 1.309 8.006 ( 0.293 0.000 -2.113) 2.134 8.764 ( -4.573 -0.000 -1.115) 4.707 8.798 ( -7.879 -0.000 -4.491) 9.069 8.845 ( 2.683 0.000 0.350) 2.706 9.099 ( 1.198 0.000 -0.433) 1.274 9.118 ( -10.011 -0.000 2.400) 10.295 9.540 ( 4.269 0.000 -2.205) 4.805 9.644 ( -1.545 -0.000 -2.122) 2.625 9.653 ( 0.354 0.000 -3.100) 3.120 9.924 ( -4.716 -0.000 -4.335) 6.406 10.153 ( 5.815 0.000 0.829) 5.874 10.492 ( -2.177 -0.000 4.732) 5.209 10.877 ( 8.231 0.000 0.117) 8.232 11.147 ( 2.573 0.000 4.982) 5.607 11.206 ( -8.628 -0.000 -7.138) 11.197 11.478 ( -2.622 -0.000 -6.217) 6.747 11.606 ( 6.501 0.000 -0.403) 6.514 11.720 ( 0.686 0.000 4.582) 4.633 11.827 ( -0.117 -0.000 0.172) 0.208 12.001 ( -18.165 -0.000 -13.775) 22.797 12.344 ( -1.225 -0.000 -5.764) 5.893 12.440 ( 1.069 0.000 1.783) 2.079 12.563 ( 12.993 0.000 21.981) 25.534 12.932 ( 4.745 0.000 -9.599) 10.708 13.108 ( 1.506 0.000 0.114) 1.510 13.285 ( -6.500 -0.000 3.985) 7.625 13.410 ( 2.424 0.000 -4.032) 4.704 13.599 ( -2.334 -0.000 0.583) 2.405 13.670 ( -0.554 -0.000 0.973) 1.120 14.332 ( -14.170 -0.000 -20.298) 24.754 14.457 ( -0.449 -0.000 -0.296) 0.538 14.644 ( -8.192 -0.000 -16.862) 18.747 14.824 ( 5.898 0.000 2.515) 6.412 14.967 ( -5.039 -0.000 -3.063) 5.897 15.251 ( -2.477 -0.000 -5.028) 5.605 15.382 ( -4.782 -0.000 -6.554) 8.113 15.970 ( 9.463 0.000 8.420) 12.666 16.338 ( -7.578 -0.000 -0.549) 7.598 16.478 ( -1.186 -0.000 -1.529) 1.935 16.990 ( 2.678 0.000 2.015) 3.351 17.024 ( 2.571 0.000 -4.148) 4.880 17.066 ( -5.842 -0.000 -3.575) 6.849 17.304 ( -4.611 -0.000 6.590) 8.042 19.471 ( 2.649 0.000 0.092) 2.650 19.778 ( 5.932 0.000 3.002) 6.648 20.948 ( -1.766 -0.000 0.497) 1.835 21.151 ( 1.410 0.000 0.422) 1.472 21.737 ( -3.273 -0.000 -1.216) 3.491 21.898 ( 1.336 0.000 -3.009) 3.292 23.104 ( -0.573 -0.000 2.385) 2.453 23.296 ( 0.923 0.000 -1.807) 2.030 26.807 ( -0.661 -0.000 -0.205) 0.692 26.812 ( -0.624 -0.000 -0.203) 0.656 29.198 ( -1.215 -0.000 -0.133) 1.222 29.308 ( -1.169 -0.000 0.239) 1.193 29.941 ( -56.724 -0.000 -83.536) 100.975 29.985 ( -4.741 -0.000 9.881) 10.960 30.353 ( -1.091 -0.000 -1.916) 2.205 30.515 ( 0.653 0.000 0.602) 0.888 31.092 ( 0.878 0.000 -0.460) 0.991 31.134 ( -0.939 -0.000 2.918) 3.066 31.741 ( -3.619 -0.000 -1.126) 3.791 31.774 ( -1.087 -0.000 3.520) 3.684 31.966 ( -0.476 -0.000 0.846) 0.971 32.100 ( -0.147 -0.000 -0.692) 0.707 33.123 ( 3.263 0.000 -1.559) 3.616 33.624 ( 3.088 0.000 -4.675) 5.603 34.903 ( -1.611 -0.000 2.161) 2.696 34.963 ( -1.232 -0.000 0.663) 1.399 35.221 ( 2.680 0.000 -1.672) 3.159 35.299 ( -0.190 -0.000 3.802) 3.807 35.374 ( -0.377 -0.000 3.394) 3.415 35.400 ( 1.196 0.000 -1.963) 2.299 37.691 ( 3.015 0.000 -11.427) 11.818 38.013 ( 32.208 0.000 51.503) 60.745 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 9.713 0.000 21.256) 23.370 0.942 ( -2.460 -0.000 21.371) 21.512 1.586 ( 1.327 0.000 24.294) 24.330 1.656 ( -3.525 -0.000 -13.997) 14.434 1.770 ( 2.335 0.000 -16.010) 16.180 2.337 ( 8.093 0.000 -10.176) 13.002 2.753 ( -2.071 -0.000 3.624) 4.174 2.769 ( -2.340 -0.000 2.896) 3.723 3.009 ( 3.523 0.000 2.737) 4.461 3.024 ( 0.016 0.000 -0.949) 0.950 3.079 ( 11.083 0.000 5.338) 12.301 3.313 ( 1.181 0.000 -3.880) 4.055 3.552 ( 1.288 0.000 4.504) 4.684 3.678 ( -3.114 -0.000 -5.402) 6.235 3.820 ( 4.171 0.000 3.628) 5.528 3.837 ( 3.839 0.000 0.673) 3.898 4.055 ( -6.325 -0.000 1.566) 6.516 4.201 ( -11.428 -0.000 -8.826) 14.439 4.378 ( -4.577 -0.000 0.106) 4.578 4.432 ( 0.142 0.000 4.649) 4.651 4.646 ( 1.685 0.000 5.233) 5.498 4.859 ( 3.615 0.000 -1.666) 3.980 4.877 ( -1.181 -0.000 -2.608) 2.863 4.924 ( -13.168 -0.000 -8.525) 15.686 5.419 ( -1.589 -0.000 4.218) 4.508 5.434 ( 1.862 0.000 -0.091) 1.864 5.466 ( 1.748 0.000 -2.212) 2.819 5.520 ( 3.239 0.000 -4.859) 5.840 6.060 ( -3.436 -0.000 -0.339) 3.453 6.164 ( -2.109 -0.000 -5.700) 6.078 7.742 ( 4.305 0.000 5.689) 7.134 7.760 ( -6.304 -0.000 -0.703) 6.343 7.875 ( -1.315 -0.000 3.059) 3.330 7.969 ( 1.892 0.000 0.399) 1.933 8.713 ( 0.102 0.000 1.086) 1.090 8.777 ( 3.379 0.000 6.288) 7.139 8.984 ( -0.467 -0.000 -6.253) 6.270 9.007 ( 3.325 0.000 0.193) 3.331 9.119 ( -0.863 -0.000 6.695) 6.751 9.187 ( -0.062 -0.000 -0.822) 0.824 9.551 ( -2.080 -0.000 -2.414) 3.187 9.637 ( 3.751 0.000 -3.150) 4.898 10.199 ( 0.111 0.000 0.574) 0.585 10.233 ( -5.152 -0.000 1.493) 5.364 10.545 ( -5.984 -0.000 -2.075) 6.333 10.571 ( 6.865 0.000 -7.455) 10.134 10.913 ( -1.439 -0.000 2.101) 2.547 11.246 ( 0.099 0.000 1.437) 1.441 11.297 ( -5.452 -0.000 -5.863) 8.006 11.337 ( 2.586 0.000 -9.084) 9.445 11.869 ( -1.446 -0.000 9.205) 9.318 12.029 ( -3.820 -0.000 10.755) 11.413 12.150 ( 5.154 0.000 7.503) 9.103 12.249 ( 4.181 0.000 -5.629) 7.012 12.529 ( 5.161 0.000 0.778) 5.220 12.612 ( 1.563 0.000 -2.689) 3.110 12.880 ( -5.849 -0.000 -5.330) 7.914 12.931 ( -0.081 -0.000 -6.917) 6.917 13.302 ( 1.874 0.000 -0.680) 1.993 13.446 ( -6.725 -0.000 -6.128) 9.099 13.628 ( -0.112 -0.000 2.236) 2.239 13.667 ( -0.967 -0.000 2.115) 2.326 14.431 ( -0.810 -0.000 -0.112) 0.818 14.483 ( 2.718 0.000 -1.403) 3.059 14.645 ( 23.790 0.000 7.411) 24.917 14.872 ( -7.474 -0.000 0.836) 7.520 14.942 ( 1.562 0.000 -2.503) 2.950 15.055 ( 0.859 0.000 -5.637) 5.702 15.885 ( 13.703 0.000 10.618) 17.335 16.073 ( -11.526 -0.000 1.892) 11.680 16.281 ( 1.305 0.000 -1.169) 1.752 16.333 ( -0.836 -0.000 -5.117) 5.185 16.929 ( 2.124 0.000 -1.905) 2.853 16.961 ( -1.682 -0.000 -0.983) 1.948 17.162 ( 7.845 0.000 4.522) 9.055 17.298 ( -9.358 -0.000 -0.326) 9.363 19.702 ( 6.009 0.000 6.764) 9.048 19.849 ( -4.158 -0.000 0.205) 4.163 20.962 ( -0.368 -0.000 1.606) 1.647 21.083 ( -0.092 -0.000 -3.392) 3.393 21.576 ( -9.686 -0.000 5.750) 11.264 21.831 ( 5.511 0.000 -4.606) 7.182 23.107 ( -3.148 -0.000 1.590) 3.527 23.229 ( 2.030 0.000 -3.342) 3.910 26.786 ( -0.095 -0.000 -0.527) 0.536 26.787 ( -0.343 -0.000 -0.464) 0.577 29.298 ( 0.277 0.000 2.063) 2.081 29.324 ( 0.214 0.000 0.769) 0.799 30.156 ( -12.844 -0.000 7.195) 14.722 30.287 ( 0.350 0.000 -2.081) 2.111 30.459 ( -10.046 -0.000 -0.206) 10.048 30.506 ( 59.445 0.000 1.686) 59.469 31.072 ( 0.409 0.000 -0.254) 0.482 31.108 ( -5.489 -0.000 -0.765) 5.542 31.781 ( 2.633 0.000 3.137) 4.096 31.913 ( 4.572 0.000 -2.237) 5.090 32.047 ( 5.810 0.000 2.157) 6.197 32.104 ( 1.293 0.000 -0.391) 1.350 33.113 ( 0.246 0.000 0.933) 0.965 33.407 ( 2.268 0.000 -10.615) 10.854 35.006 ( -1.178 -0.000 4.895) 5.035 35.043 ( -0.109 -0.000 3.843) 3.844 35.257 ( -1.411 -0.000 -2.748) 3.089 35.283 ( 1.765 0.000 -2.312) 2.909 35.314 ( 6.423 0.000 1.010) 6.502 35.403 ( -12.034 -0.000 1.348) 12.109 37.593 ( -48.971 -0.000 -1.063) 48.983 37.629 ( 24.375 0.000 -3.936) 24.690 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.177 -10.468 17.545) 21.076 1.282 ( 7.424 -24.237 13.992) 28.954 1.631 ( 4.105 -3.931 -11.429) 12.765 1.748 ( 5.921 -9.744 1.126) 11.457 1.901 ( 8.673 -12.333 -3.358) 15.447 2.339 ( 8.822 -0.349 -11.621) 14.595 2.714 ( -1.852 1.031 4.023) 4.547 2.796 ( -0.768 -1.889 3.310) 3.888 2.982 ( 1.067 3.938 -0.884) 4.175 3.024 ( -2.717 1.567 1.055) 3.309 3.179 ( 9.565 0.847 1.562) 9.729 3.261 ( 3.014 3.912 -4.729) 6.837 3.524 ( 0.609 4.391 3.227) 5.483 3.608 ( -3.207 3.391 -4.222) 6.293 3.823 ( -1.221 2.244 3.843) 4.614 3.878 ( -1.097 0.267 1.537) 1.907 4.016 ( -4.510 0.609 -1.717) 4.864 4.066 ( -2.421 1.781 -2.717) 4.052 4.347 ( -1.691 1.687 4.710) 5.281 4.470 ( 0.671 -0.949 1.409) 1.827 4.726 ( -6.794 -2.129 0.382) 7.130 4.806 ( -7.721 -2.452 0.332) 8.108 4.905 ( 2.971 -6.909 -1.247) 7.624 5.017 ( 9.742 -10.139 -1.441) 14.135 5.357 ( -4.115 5.574 -1.943) 7.195 5.433 ( -1.035 -0.526 1.216) 1.681 5.472 ( 0.567 -0.745 -4.239) 4.341 5.544 ( 5.143 0.014 1.590) 5.383 5.973 ( -4.652 5.806 0.327) 7.447 6.071 ( -0.691 5.358 -3.679) 6.536 7.650 ( -2.681 4.523 3.873) 6.530 7.750 ( 0.602 1.953 -2.129) 2.951 7.939 ( 2.801 -1.713 6.694) 7.456 7.985 ( -1.997 0.079 -1.396) 2.438 8.751 ( 2.011 -1.047 2.475) 3.356 8.857 ( 3.911 -2.119 1.252) 4.621 8.962 ( 0.528 -0.044 -2.677) 2.729 9.019 ( 4.163 1.593 -0.946) 4.557 9.151 ( 1.225 0.712 3.711) 3.973 9.178 ( 2.876 1.425 2.189) 3.885 9.551 ( -1.441 -3.544 -3.816) 5.403 9.657 ( 2.915 -1.697 -4.874) 5.927 10.081 ( -7.208 8.423 2.595) 11.386 10.169 ( -0.550 5.161 1.646) 5.445 10.436 ( -5.599 5.359 -2.118) 8.034 10.574 ( 9.416 4.829 -3.039) 11.009 10.961 ( -2.703 -4.172 4.291) 6.567 11.216 ( 1.747 -2.060 -7.929) 8.376 11.280 ( -3.141 -1.945 -0.631) 3.748 11.365 ( 5.090 -3.053 -2.748) 6.541 11.838 ( -3.435 6.054 9.214) 11.548 12.065 ( -2.752 -0.637 6.481) 7.070 12.165 ( 3.579 4.913 2.236) 6.477 12.203 ( 0.278 3.104 -3.553) 4.726 12.537 ( 4.170 2.863 -0.229) 5.063 12.597 ( 2.230 1.738 -1.744) 3.321 12.737 ( -5.823 5.340 -3.760) 8.750 12.876 ( 1.626 4.183 -4.683) 6.486 13.353 ( 2.965 -3.906 2.802) 5.647 13.432 ( -4.153 -6.084 -5.005) 8.906 13.645 ( -0.398 -0.850 3.982) 4.091 13.705 ( -2.315 -2.214 -0.958) 3.343 14.418 ( 2.694 -1.364 1.792) 3.512 14.470 ( 1.890 1.426 -0.912) 2.537 14.820 ( 1.926 -2.526 7.229) 7.896 14.937 ( -6.477 -12.699 -2.445) 14.464 15.047 ( -0.950 -0.975 -7.037) 7.167 15.105 ( 1.287 -14.324 -7.228) 16.096 15.943 ( 4.597 5.817 7.763) 10.735 16.045 ( -1.566 -1.702 2.719) 3.570 16.250 ( -1.877 2.336 -2.672) 4.015 16.382 ( 0.184 -6.364 -7.162) 9.583 16.942 ( 1.939 -1.169 0.675) 2.363 16.985 ( -0.063 -2.825 -2.869) 4.026 17.256 ( -3.086 -3.914 1.435) 5.187 17.310 ( 3.616 -5.591 1.853) 6.912 19.788 ( 3.915 -0.939 5.232) 6.601 19.819 ( -3.418 -1.369 -1.090) 3.840 20.830 ( -0.692 13.108 2.667) 13.395 20.949 ( 0.956 11.711 -3.769) 12.340 21.686 ( -6.032 -13.464 6.305) 16.044 21.970 ( 5.388 -11.936 -4.511) 13.851 23.038 ( -3.043 5.999 2.596) 7.210 23.192 ( 2.936 4.141 -3.364) 6.090 26.882 ( 0.416 -11.376 1.415) 11.471 26.960 ( -1.916 -17.281 -4.871) 18.057 29.134 ( -0.368 17.580 2.454) 17.754 29.195 ( 1.979 14.850 -0.293) 14.984 30.169 ( -11.195 -8.288 2.777) 14.203 30.300 ( 0.313 -1.705 -2.415) 2.973 30.399 ( -9.085 -4.124 0.627) 9.997 30.875 ( 27.696 -1.305 -3.952) 28.007 31.078 ( -0.956 -2.874 2.541) 3.954 31.231 ( 8.880 -7.564 -4.305) 12.434 31.663 ( 1.744 11.827 -0.012) 11.955 31.747 ( 13.180 12.660 -3.792) 18.664 32.256 ( 1.629 -14.707 2.193) 14.958 32.372 ( 9.573 -15.495 -3.406) 18.529 33.099 ( -0.990 2.226 1.985) 3.142 33.328 ( 2.063 3.862 -10.344) 11.232 35.019 ( -0.127 0.700 4.096) 4.157 35.064 ( -0.781 0.497 3.515) 3.635 35.196 ( -2.830 0.479 0.388) 2.897 35.285 ( -8.819 -0.567 -0.449) 8.848 35.364 ( -0.761 -2.091 1.129) 2.495 35.407 ( 5.238 -3.977 -0.796) 6.625 37.098 ( -45.845 11.696 8.322) 48.040 37.715 ( 23.190 9.996 -1.291) 25.286 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 6.816 -11.502 10.488) 16.993 1.719 ( 8.186 -6.696 -8.294) 13.440 1.809 ( -1.302 -23.406 8.365) 24.890 1.988 ( 2.235 -5.269 3.754) 6.844 2.145 ( 4.958 -13.924 -11.948) 19.005 2.464 ( 15.069 -12.153 -7.128) 20.629 2.757 ( -0.733 -1.798 -0.490) 2.002 2.861 ( -4.965 -2.901 4.334) 7.201 2.870 ( 2.798 3.983 -4.437) 6.586 3.012 ( 5.878 -1.289 3.688) 7.058 3.156 ( 3.348 6.351 -6.770) 9.867 3.208 ( 5.620 3.132 -2.971) 7.087 3.443 ( -3.203 3.473 -1.499) 4.956 3.523 ( 0.007 2.976 0.659) 3.048 3.765 ( -3.850 4.135 5.359) 7.787 3.809 ( -5.577 2.870 -0.472) 6.290 3.954 ( 1.183 1.759 -5.996) 6.360 4.077 ( 4.559 0.754 2.809) 5.408 4.353 ( 1.557 1.841 9.000) 9.317 4.482 ( -1.791 -1.847 -6.318) 6.821 4.690 ( -7.713 -0.259 5.106) 9.254 4.797 ( 1.664 1.026 1.358) 2.380 5.064 ( -5.874 -8.807 -0.897) 10.624 5.185 ( -2.183 6.777 -0.802) 7.165 5.302 ( 8.296 -9.243 0.339) 12.424 5.444 ( -4.660 -2.293 0.483) 5.216 5.481 ( 7.405 -1.499 -3.431) 8.298 5.597 ( 4.485 0.099 2.660) 5.215 5.818 ( -7.014 4.931 -0.010) 8.574 5.961 ( 0.393 5.627 0.812) 5.699 7.625 ( -0.974 1.533 1.967) 2.677 7.700 ( 1.017 2.031 -0.023) 2.272 7.875 ( -7.578 3.942 -5.167) 9.984 8.033 ( 5.920 0.426 5.813) 8.307 8.749 ( -3.299 0.760 -0.163) 3.390 8.893 ( -3.246 1.197 -1.918) 3.956 8.963 ( 5.814 1.880 2.410) 6.569 8.986 ( 3.381 4.142 0.620) 5.382 9.155 ( 1.222 0.496 0.016) 1.319 9.202 ( 5.279 1.550 -0.819) 5.563 9.623 ( 1.545 -5.147 -2.207) 5.809 9.684 ( 1.012 -3.584 -6.171) 7.208 9.908 ( -4.047 7.724 4.954) 10.030 10.048 ( 2.986 9.019 2.322) 9.780 10.298 ( -5.342 4.181 0.842) 6.836 10.518 ( 6.905 5.948 -1.675) 9.266 11.045 ( -3.022 -4.024 4.547) 6.782 11.278 ( 4.835 -0.285 -1.103) 4.968 11.289 ( -5.743 -7.844 -5.445) 11.143 11.490 ( 7.615 -6.099 0.609) 9.775 11.759 ( -3.175 4.072 7.788) 9.344 12.010 ( 1.625 7.069 -7.268) 10.268 12.116 ( -1.918 -1.522 2.580) 3.557 12.173 ( 0.863 2.085 3.595) 4.245 12.481 ( 0.048 5.387 -2.581) 5.973 12.569 ( 3.199 2.630 -1.117) 4.289 12.614 ( -3.808 2.668 0.060) 4.650 12.766 ( 1.444 5.494 -3.844) 6.858 13.438 ( -4.536 -4.554 -2.360) 6.847 13.550 ( 3.885 -7.040 3.665) 8.837 13.664 ( -0.124 1.295 1.559) 2.031 13.717 ( 0.033 -2.748 0.402) 2.777 14.440 ( -6.455 -2.978 -4.869) 8.617 14.535 ( 6.713 -1.003 1.912) 7.051 14.854 ( -6.852 -0.798 0.258) 6.903 15.043 ( 3.060 -3.591 0.419) 4.737 15.126 ( -4.427 -11.787 0.072) 12.591 15.290 ( -1.431 -9.975 -4.631) 11.090 15.927 ( 3.001 3.637 8.687) 9.885 16.071 ( 0.812 -0.851 -7.455) 7.547 16.250 ( 1.077 -3.456 8.603) 9.334 16.376 ( -4.913 -0.942 -10.200) 11.361 16.975 ( -1.824 -2.246 -2.907) 4.101 17.021 ( 2.964 -1.565 0.523) 3.392 17.339 ( -3.078 -6.771 -0.111) 7.439 17.441 ( 3.209 -3.324 1.999) 5.034 19.843 ( -0.582 -2.503 0.473) 2.613 19.856 ( -0.857 -5.032 -1.542) 5.332 20.583 ( -0.848 15.173 3.284) 15.547 20.697 ( 2.155 14.709 -3.407) 15.251 21.967 ( -2.824 -17.052 5.805) 18.233 22.229 ( 4.713 -14.745 -4.625) 16.156 22.900 ( -3.273 8.406 3.839) 9.803 23.097 ( 3.959 7.376 -2.963) 8.881 27.182 ( 0.485 -19.197 4.598) 19.746 27.244 ( -3.716 -20.057 -6.773) 21.493 28.758 ( -3.018 23.134 -0.350) 23.332 28.884 ( 5.650 21.518 0.189) 22.249 30.284 ( -4.205 -8.736 0.445) 9.706 30.338 ( -2.822 -6.147 -1.776) 6.994 30.450 ( -7.392 -7.361 0.371) 10.439 30.999 ( 7.977 -1.871 -6.071) 10.198 31.172 ( -1.096 -4.775 5.540) 7.396 31.286 ( 3.418 4.950 -1.066) 6.109 31.450 ( 1.594 11.085 -1.011) 11.245 31.746 ( 23.791 1.629 -9.661) 25.729 32.548 ( 1.063 -15.064 1.822) 15.211 32.655 ( 7.284 -10.447 -4.570) 13.531 33.043 ( -2.289 4.011 2.659) 5.329 33.204 ( 2.660 5.515 -8.191) 10.227 35.015 ( -1.320 1.691 2.997) 3.685 35.048 ( -1.421 1.464 1.788) 2.713 35.178 ( -6.866 -1.347 2.279) 7.359 35.274 ( -3.550 -3.087 3.561) 5.900 35.394 ( -2.592 -0.788 3.224) 4.212 35.507 ( 4.681 -2.612 -1.115) 5.475 36.691 ( -31.462 4.122 7.539) 32.614 37.615 ( 19.463 18.090 -1.574) 26.618 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.728 -2.328 -5.597) 9.822 1.901 ( 4.852 -8.815 3.594) 10.685 1.964 ( -4.185 2.645 -1.551) 5.188 2.186 ( -6.918 -16.926 3.869) 18.690 2.303 ( -0.596 -1.963 -2.924) 3.572 2.615 ( -3.769 -0.787 -8.251) 9.105 2.696 ( 0.352 4.477 -2.453) 5.117 2.880 ( 10.437 -9.639 -7.396) 16.017 2.998 ( 3.876 6.111 -5.948) 9.367 3.047 ( 3.260 1.878 -2.308) 4.414 3.103 ( 5.901 -2.613 1.049) 6.538 3.252 ( 5.779 -7.911 1.001) 9.848 3.423 ( 2.585 -3.339 0.743) 4.288 3.475 ( -0.535 1.893 2.067) 2.854 3.691 ( -2.791 4.096 5.461) 7.375 3.755 ( 1.435 2.735 2.664) 4.079 3.906 ( 0.684 -1.106 -5.747) 5.893 4.131 ( 3.741 -0.217 3.877) 5.392 4.384 ( -0.368 -0.221 4.112) 4.134 4.408 ( -7.402 0.143 -10.381) 12.751 4.690 ( 3.389 0.999 4.468) 5.696 4.807 ( 0.955 0.741 1.289) 1.767 5.097 ( -3.012 -0.706 3.237) 4.478 5.124 ( -6.615 -1.969 -0.039) 6.902 5.378 ( 3.420 3.198 2.369) 5.247 5.432 ( -4.483 -0.258 -0.596) 4.530 5.585 ( 4.642 -0.098 0.710) 4.697 5.623 ( 3.002 0.985 0.217) 3.167 5.807 ( 1.351 -6.619 -1.349) 6.889 5.894 ( -0.813 1.901 5.643) 6.009 7.510 ( -7.175 5.728 -1.599) 9.319 7.697 ( -7.537 4.421 -3.943) 9.587 7.721 ( 1.914 0.968 -1.240) 2.477 8.108 ( 8.078 -0.409 3.997) 9.022 8.710 ( -1.953 1.547 0.370) 2.519 8.785 ( -3.714 2.710 -4.438) 6.390 8.930 ( 3.504 5.278 2.195) 6.705 8.989 ( 4.110 3.161 4.804) 7.069 9.133 ( -0.433 0.933 -5.057) 5.161 9.190 ( 0.824 1.637 -0.582) 1.923 9.680 ( 2.181 -1.890 1.766) 3.383 9.733 ( -0.719 -4.705 -7.650) 9.010 9.802 ( 0.212 6.324 4.150) 7.567 10.023 ( 4.063 -1.751 3.908) 5.903 10.207 ( -4.709 3.054 2.370) 6.093 10.475 ( 5.554 2.891 -2.760) 6.843 11.084 ( -2.939 -0.149 4.688) 5.535 11.296 ( 1.585 -0.357 -0.743) 1.787 11.343 ( -4.530 -4.474 -4.246) 7.653 11.684 ( 5.774 -7.415 1.212) 9.476 11.740 ( -0.851 1.564 6.358) 6.603 11.881 ( 0.738 2.880 -4.826) 5.668 12.165 ( -1.111 -2.266 -0.526) 2.577 12.178 ( 2.020 -0.618 4.251) 4.747 12.338 ( -1.394 6.472 -3.247) 7.374 12.494 ( 4.201 7.905 -4.829) 10.171 12.592 ( -1.881 -1.435 3.346) 4.098 12.710 ( 0.836 -0.069 -1.544) 1.757 13.455 ( -3.921 -3.457 -1.110) 5.344 13.635 ( -2.147 0.731 1.888) 2.951 13.727 ( 5.788 -4.299 2.554) 7.649 13.794 ( 1.510 -4.066 0.870) 4.424 14.346 ( -8.858 3.632 -13.058) 16.191 14.504 ( 1.467 5.429 5.239) 7.685 14.905 ( -2.464 -7.625 0.047) 8.013 15.192 ( 2.422 -7.094 5.561) 9.334 15.210 ( -2.725 -0.963 -1.641) 3.323 15.399 ( 0.492 -5.017 -0.333) 5.052 15.953 ( 1.216 1.386 6.547) 6.802 16.062 ( 0.853 -1.229 -1.949) 2.457 16.243 ( -6.883 2.639 -8.798) 11.478 16.435 ( 5.177 -7.910 3.914) 10.232 16.975 ( -1.843 -2.065 -4.641) 5.403 17.086 ( 3.253 -1.733 2.848) 4.658 17.403 ( -3.361 -2.781 -2.235) 4.902 17.495 ( 0.997 -0.268 3.553) 3.700 19.878 ( -2.192 -3.507 -1.903) 4.553 19.961 ( 0.285 -7.457 -3.332) 8.173 20.339 ( -1.128 12.253 2.855) 12.632 20.454 ( 3.188 12.565 -1.794) 13.086 22.282 ( -1.417 -16.142 5.130) 16.997 22.489 ( 3.525 -13.338 -4.968) 14.663 22.742 ( -3.330 8.810 4.685) 10.519 22.959 ( 3.900 9.848 -2.417) 10.864 27.537 ( -3.885 -20.182 -5.236) 21.209 27.580 ( -0.340 -21.174 5.969) 22.002 28.297 ( -3.040 24.536 -1.649) 24.778 28.565 ( 9.052 20.160 -0.478) 22.104 30.372 ( -3.088 -4.612 2.124) 5.943 30.415 ( -5.861 -3.952 0.417) 7.081 30.592 ( -0.080 -13.083 -3.404) 13.519 31.017 ( 5.316 1.430 -7.168) 9.038 31.156 ( -2.519 5.565 -0.633) 6.142 31.239 ( -3.703 1.386 1.202) 4.133 31.348 ( 2.660 1.986 4.393) 5.507 31.836 ( 20.637 3.047 -9.721) 23.015 32.779 ( 0.317 -3.467 -4.706) 5.854 32.792 ( 1.319 -7.391 2.656) 7.963 32.970 ( -3.310 0.333 -0.455) 3.357 33.116 ( 4.365 3.499 -2.553) 6.150 34.978 ( -3.893 1.199 2.190) 4.625 35.022 ( -1.795 1.175 1.983) 2.921 35.185 ( -1.973 -1.591 2.248) 3.387 35.328 ( -2.667 -0.997 7.441) 7.967 35.383 ( -7.043 0.063 4.085) 8.142 35.550 ( 1.756 -0.003 1.723) 2.460 36.579 ( -13.719 -8.467 -1.837) 16.226 37.392 ( 14.169 18.946 -2.245) 23.765 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 2.476 4.648 -4.731) 7.080 1.817 ( -10.675 7.561 1.095) 13.127 2.063 ( 2.299 -3.994 -2.010) 5.027 2.208 ( -0.671 3.843 1.738) 4.271 2.357 ( -2.301 -4.660 1.009) 5.294 2.578 ( 0.155 4.721 -2.505) 5.347 2.650 ( 2.303 -1.232 -2.797) 3.827 2.829 ( 1.190 5.788 -5.553) 8.109 2.936 ( 3.669 5.472 -6.987) 9.604 3.057 ( 2.892 -2.056 -8.128) 8.869 3.180 ( 3.795 -1.972 -0.879) 4.366 3.350 ( -4.147 -3.234 -1.155) 5.384 3.505 ( 1.758 0.972 2.423) 3.147 3.564 ( 4.158 -0.437 6.477) 7.710 3.646 ( -0.577 0.785 5.041) 5.134 3.775 ( 4.746 0.455 4.794) 6.762 3.951 ( -0.322 -6.046 -4.977) 7.838 4.118 ( -9.547 0.415 -1.542) 9.679 4.318 ( 2.151 1.515 -6.203) 6.738 4.416 ( -0.273 -1.893 1.625) 2.510 4.750 ( 6.723 -0.940 0.373) 6.799 4.812 ( -1.324 -2.747 -0.420) 3.078 5.048 ( -2.110 3.970 2.725) 5.257 5.139 ( -6.159 -4.892 -0.501) 7.881 5.382 ( -0.376 -0.180 5.934) 5.948 5.420 ( -2.557 -1.188 2.369) 3.683 5.584 ( 0.843 3.615 -1.086) 3.868 5.601 ( 1.456 1.390 3.678) 4.192 5.816 ( -1.952 1.597 0.530) 2.577 6.054 ( 9.104 -7.492 0.098) 11.791 7.375 ( -6.468 2.278 2.039) 7.154 7.520 ( -7.408 4.449 -3.809) 9.443 7.727 ( 3.049 -0.165 -1.606) 3.450 8.186 ( 8.167 1.617 -0.204) 8.328 8.669 ( -2.208 -0.171 -0.244) 2.228 8.726 ( 1.275 2.077 0.243) 2.450 8.915 ( 3.381 0.548 2.633) 4.320 8.972 ( 3.197 4.379 3.543) 6.477 9.087 ( -5.197 -1.734 -3.888) 6.718 9.170 ( -0.705 -1.385 -2.403) 2.862 9.696 ( 4.432 6.504 0.141) 7.871 9.763 ( 1.184 -1.695 5.665) 6.031 9.796 ( -3.498 -6.864 -5.333) 9.370 10.114 ( 0.341 0.151 3.395) 3.415 10.166 ( -3.343 -4.424 0.762) 5.597 10.446 ( 2.091 2.401 -3.933) 5.061 11.084 ( -2.145 0.217 5.292) 5.715 11.294 ( 2.144 0.669 -1.881) 2.929 11.356 ( -5.167 -3.434 -2.874) 6.837 11.712 ( -2.425 2.127 0.115) 3.228 11.786 ( 3.532 0.835 1.742) 4.026 11.888 ( -1.841 -1.625 4.484) 5.112 12.163 ( 4.050 6.860 2.346) 8.305 12.208 ( 1.323 -3.226 -4.533) 5.719 12.299 ( -1.264 -3.847 -1.210) 4.226 12.350 ( 3.613 5.911 -3.554) 7.786 12.654 ( -1.229 -4.617 1.721) 5.078 12.733 ( -0.664 -3.093 -1.658) 3.572 13.509 ( 3.135 -1.908 0.823) 3.762 13.607 ( -0.877 1.984 2.616) 3.398 13.796 ( -2.857 -0.011 -0.339) 2.877 13.872 ( -0.465 -4.504 -0.642) 4.573 14.104 ( -4.091 9.078 -5.293) 11.276 14.483 ( 1.723 1.632 2.243) 3.265 15.023 ( -0.726 -7.288 0.006) 7.325 15.109 ( -4.452 4.989 -3.121) 7.379 15.380 ( 2.019 -6.468 1.798) 7.011 15.493 ( 3.705 -3.310 4.580) 6.757 15.880 ( -2.146 8.293 -2.177) 8.838 16.052 ( 0.290 6.088 4.962) 7.859 16.167 ( -4.089 -4.756 -3.529) 7.197 16.635 ( 7.105 -7.980 -1.897) 10.852 16.968 ( -0.858 -1.143 -5.084) 5.281 17.155 ( 3.036 -0.755 4.445) 5.436 17.351 ( -4.047 2.744 -3.500) 6.014 17.525 ( 0.576 0.388 4.140) 4.198 19.889 ( 1.452 2.357 -2.823) 3.954 19.986 ( 2.331 6.049 -0.812) 6.534 20.264 ( -0.781 -4.986 -1.005) 5.146 20.327 ( 0.139 -0.206 0.370) 0.446 22.493 ( -2.718 4.305 3.085) 5.953 22.580 ( -0.884 -4.294 2.295) 4.949 22.745 ( 1.637 -8.532 -3.373) 9.319 22.796 ( 2.065 6.435 -0.347) 6.767 27.799 ( 0.332 18.782 0.757) 18.800 27.852 ( -3.089 -20.619 -2.935) 21.054 28.015 ( -3.115 -15.281 2.479) 15.791 28.309 ( 11.463 16.047 -2.440) 19.871 30.390 ( -4.534 1.119 1.220) 4.827 30.446 ( -3.273 -3.233 2.615) 5.292 30.777 ( 0.923 -7.073 -6.003) 9.323 30.926 ( 3.021 7.935 -3.968) 9.372 31.114 ( -2.928 -4.664 -4.759) 7.278 31.168 ( -0.844 1.727 0.376) 1.959 31.379 ( -1.933 0.853 8.514) 8.772 31.815 ( 12.479 7.887 -8.631) 17.101 32.756 ( -1.442 7.228 2.087) 7.661 32.781 ( 1.330 2.035 -0.658) 2.519 33.046 ( -0.934 -3.978 -4.262) 5.904 33.117 ( 1.636 -4.315 0.357) 4.628 34.950 ( -3.551 0.001 1.886) 4.020 35.006 ( -2.306 0.191 2.900) 3.710 35.214 ( -0.049 0.069 3.857) 3.858 35.327 ( -4.277 1.955 7.439) 8.800 35.353 ( -2.795 0.470 1.681) 3.295 35.583 ( -1.790 -1.807 4.566) 5.227 36.705 ( -1.405 -13.976 -9.740) 17.093 37.191 ( 7.298 10.635 0.466) 12.907 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -6.277 10.499 -0.201) 12.234 1.584 ( -12.186 10.538 10.094) 19.011 2.105 ( 6.508 -0.341 0.740) 6.559 2.228 ( 3.060 -0.258 3.400) 4.582 2.334 ( -1.355 5.704 -3.855) 7.017 2.471 ( 7.647 11.868 2.990) 14.432 2.610 ( 0.989 8.898 -6.608) 11.127 2.658 ( -5.671 4.119 -1.863) 7.252 2.903 ( 0.677 -2.260 -4.402) 4.994 3.040 ( 1.077 -1.005 -7.737) 7.876 3.169 ( -2.915 1.783 -1.083) 3.585 3.320 ( 1.205 9.696 0.474) 9.782 3.469 ( 0.486 -4.267 -3.356) 5.451 3.515 ( -6.786 6.478 3.082) 9.875 3.701 ( -1.566 -2.903 5.934) 6.789 3.834 ( 5.894 0.175 3.706) 6.965 4.014 ( -6.952 -0.677 -6.266) 9.383 4.047 ( -2.308 -8.658 -4.794) 10.163 4.309 ( 1.585 -0.555 1.046) 1.978 4.452 ( 0.215 -1.292 -0.483) 1.396 4.798 ( 4.784 -0.497 -0.467) 4.832 4.914 ( -3.481 -9.383 -2.620) 10.345 4.997 ( -0.553 2.834 4.856) 5.649 5.185 ( 1.269 -0.616 0.514) 1.501 5.388 ( -1.191 3.851 6.545) 7.686 5.473 ( -4.738 -5.986 1.666) 7.814 5.509 ( 0.998 4.239 0.812) 4.430 5.618 ( -0.372 1.089 2.200) 2.483 5.776 ( 0.095 -1.631 -4.875) 5.142 6.186 ( 4.634 -2.182 -5.586) 7.579 7.364 ( -2.758 -1.666 7.146) 7.839 7.437 ( -1.890 0.032 3.831) 4.272 7.775 ( 5.441 -2.704 -1.776) 6.330 8.152 ( 4.099 5.336 -2.791) 7.285 8.690 ( 2.383 -2.149 0.366) 3.230 8.735 ( -3.251 -1.403 1.429) 3.819 8.945 ( 2.693 2.028 4.657) 5.749 8.967 ( 2.260 -1.062 3.041) 3.934 9.079 ( -6.075 -4.349 -3.486) 8.244 9.208 ( -2.862 -5.067 -3.404) 6.742 9.630 ( 3.479 3.518 -1.078) 5.064 9.769 ( 0.983 4.079 0.844) 4.280 9.875 ( -0.368 -4.882 0.041) 4.896 10.134 ( -4.636 -4.268 0.179) 6.304 10.237 ( -2.325 -2.129 2.633) 4.108 10.408 ( 0.215 -2.738 -3.712) 4.617 11.114 ( -1.422 -1.522 5.020) 5.435 11.308 ( 2.291 -1.729 -2.081) 3.545 11.350 ( -4.971 -1.994 -3.700) 6.510 11.626 ( -2.740 4.000 -1.837) 5.184 11.804 ( -0.912 -0.264 4.494) 4.593 11.868 ( -0.956 4.966 2.284) 5.549 12.037 ( 3.611 9.735 2.375) 10.651 12.253 ( 1.801 -4.005 -6.641) 7.962 12.358 ( 1.202 -4.152 2.844) 5.174 12.375 ( 1.706 -3.221 -0.695) 3.711 12.721 ( -1.513 -3.595 -2.493) 4.629 12.797 ( -1.941 -7.009 -3.790) 8.201 13.483 ( 3.421 7.496 0.012) 8.240 13.594 ( -2.121 1.787 2.019) 3.431 13.761 ( 2.122 0.221 1.743) 2.755 13.903 ( -7.487 0.886 -2.770) 8.032 13.967 ( 1.543 0.842 1.146) 2.099 14.478 ( 1.946 2.101 2.380) 3.724 14.959 ( -3.546 6.328 -0.057) 7.254 15.170 ( 2.290 -7.789 -2.459) 8.483 15.427 ( 2.596 1.590 -1.249) 3.290 15.522 ( -2.055 7.528 -4.624) 9.070 15.756 ( 2.115 3.152 5.711) 6.857 15.951 ( -0.951 5.037 6.423) 8.217 16.230 ( -2.251 -5.868 -2.875) 6.911 16.770 ( 7.630 -2.845 -8.997) 12.134 16.940 ( 0.009 0.642 -4.856) 4.898 17.196 ( 3.145 2.513 5.659) 6.945 17.236 ( -4.098 3.702 -3.230) 6.398 17.526 ( 0.480 2.409 3.240) 4.066 19.777 ( 3.590 9.809 2.182) 10.671 19.876 ( 6.293 7.713 -2.870) 10.359 20.376 ( -3.200 -10.270 2.070) 10.955 20.493 ( -0.077 -14.658 -3.107) 14.984 22.286 ( -5.700 12.959 3.773) 14.651 22.483 ( 2.665 14.122 -3.529) 14.798 22.846 ( -2.645 -10.057 2.656) 10.733 22.945 ( 2.165 -10.022 -3.174) 10.733 27.421 ( -0.022 20.366 0.735) 20.380 28.011 ( 9.707 15.532 -13.113) 22.526 28.212 ( 0.546 -21.125 1.498) 21.185 28.425 ( -1.239 -19.726 4.845) 20.350 30.297 ( -4.176 7.146 2.131) 8.547 30.460 ( -0.745 1.578 0.896) 1.961 30.717 ( 0.615 7.156 -8.196) 10.897 30.808 ( -5.013 3.856 1.395) 6.476 31.165 ( -0.154 -4.895 -3.426) 5.977 31.234 ( 3.634 -4.726 0.680) 6.000 31.378 ( -3.726 0.547 7.278) 8.194 31.676 ( 3.967 8.918 -6.762) 11.874 32.595 ( -0.449 11.432 4.644) 12.347 32.734 ( 3.314 6.472 -1.235) 7.375 33.027 ( -2.536 0.197 1.289) 2.852 33.248 ( 1.775 -8.334 -6.703) 10.841 34.944 ( -2.256 -0.438 2.290) 3.244 35.014 ( -2.624 -1.181 3.231) 4.327 35.203 ( 0.689 3.787 5.325) 6.571 35.295 ( -2.406 0.963 -1.536) 3.012 35.372 ( -1.055 -1.765 6.782) 7.086 35.613 ( -1.745 0.123 2.906) 3.392 36.889 ( 4.883 -11.246 -10.636) 16.230 37.195 ( -1.780 -7.943 4.749) 9.424 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -11.470 15.084 6.416) 20.007 1.400 ( -8.837 11.784 19.334) 24.305 1.951 ( -14.322 28.988 3.128) 32.484 2.118 ( 8.418 12.660 -6.944) 16.714 2.222 ( -6.153 8.463 -1.454) 10.564 2.268 ( 7.283 0.717 5.007) 8.867 2.531 ( 0.298 -2.922 0.784) 3.040 2.633 ( 4.633 -2.072 -3.562) 6.200 2.937 ( 2.000 -1.523 0.050) 2.515 3.034 ( 1.071 5.858 -0.451) 5.973 3.078 ( 2.116 -0.206 -4.544) 5.017 3.202 ( -3.911 -0.041 -1.706) 4.267 3.421 ( -0.370 0.603 1.990) 2.112 3.561 ( 2.588 -5.241 -2.571) 6.385 3.780 ( -0.962 -3.372 4.106) 5.399 3.840 ( -0.445 0.902 -3.042) 3.204 4.017 ( -0.447 -5.126 -4.712) 6.977 4.177 ( -0.728 -8.175 0.211) 8.210 4.344 ( -2.721 -2.476 -0.382) 3.699 4.454 ( -2.104 -0.357 0.021) 2.134 4.835 ( 1.468 -1.374 -1.719) 2.645 4.932 ( -3.609 3.926 -0.494) 5.356 5.013 ( 0.750 1.482 4.146) 4.466 5.169 ( 3.018 4.330 1.809) 5.579 5.329 ( -2.972 1.624 4.508) 5.639 5.469 ( 0.155 2.316 0.853) 2.473 5.493 ( -2.697 0.278 -7.105) 7.605 5.576 ( -2.115 -0.315 -1.266) 2.484 5.878 ( 1.462 -9.502 -3.390) 10.194 6.169 ( -2.205 -1.103 -7.044) 7.463 7.463 ( 1.547 -3.270 11.798) 12.340 7.518 ( 2.710 -4.383 8.782) 10.183 7.851 ( 2.819 -2.332 -2.687) 4.540 8.079 ( 3.412 4.265 -0.896) 5.535 8.704 ( -7.201 0.000 1.250) 7.309 8.787 ( 4.618 -4.406 2.011) 6.692 8.928 ( -2.220 3.795 3.495) 5.616 9.037 ( 0.913 -2.156 5.188) 5.692 9.103 ( -3.582 -3.385 -2.437) 5.498 9.220 ( -6.123 -2.794 -7.006) 9.715 9.623 ( 3.598 0.368 -0.109) 3.618 9.679 ( 1.545 5.214 -2.329) 5.916 9.969 ( -0.045 -4.628 5.257) 7.004 10.128 ( -0.526 -1.379 -3.773) 4.051 10.348 ( -3.980 -9.876 5.019) 11.771 10.496 ( -0.105 -7.496 -4.980) 9.000 11.149 ( -2.753 -1.150 1.935) 3.556 11.278 ( -4.159 3.161 -6.997) 8.732 11.346 ( 0.211 -1.494 -2.113) 2.596 11.530 ( -3.215 2.677 -2.983) 5.138 11.753 ( -0.956 3.913 0.515) 4.061 11.865 ( 0.661 -3.018 7.116) 7.758 11.977 ( 2.309 3.546 8.711) 9.684 12.272 ( -0.864 -1.716 -6.872) 7.135 12.423 ( 1.473 -1.543 -0.296) 2.154 12.487 ( 3.077 -5.183 2.801) 6.646 12.743 ( 1.185 -2.791 -4.564) 5.480 12.894 ( -2.031 -7.826 -5.853) 9.982 13.366 ( 1.275 6.266 0.213) 6.398 13.572 ( -1.717 0.426 5.222) 5.513 13.745 ( -2.676 5.088 -3.992) 6.999 13.797 ( 2.954 4.293 1.054) 5.316 14.037 ( 2.774 -4.063 4.008) 6.346 14.460 ( -0.151 2.307 2.772) 3.610 14.833 ( -1.811 6.425 1.910) 6.943 15.225 ( 3.215 5.578 -2.456) 6.891 15.271 ( -4.211 9.317 -6.627) 12.184 15.405 ( 6.445 4.039 -7.448) 10.645 15.681 ( 2.162 7.983 8.456) 11.828 16.015 ( -2.309 -5.613 6.131) 8.627 16.299 ( -1.603 -5.740 -4.672) 7.572 16.694 ( 7.303 10.413 -15.691) 20.198 16.906 ( 0.937 0.964 -2.821) 3.125 17.120 ( -2.160 3.825 -2.289) 4.953 17.190 ( 2.826 5.031 5.287) 7.826 17.481 ( -1.821 3.794 2.104) 4.705 19.671 ( 4.480 7.211 4.272) 9.503 19.812 ( 5.517 3.046 0.506) 6.322 20.585 ( -3.181 -13.952 2.201) 14.479 20.749 ( 0.580 -15.357 -3.575) 15.779 22.016 ( -7.801 13.738 4.111) 16.325 22.209 ( 2.763 15.783 -4.297) 16.589 22.996 ( -4.149 -7.896 1.591) 9.060 23.099 ( 1.981 -7.727 -4.078) 8.959 27.102 ( 0.041 16.059 0.891) 16.084 27.629 ( 5.310 24.264 -19.704) 31.705 28.636 ( 4.394 -22.629 4.568) 23.500 28.808 ( -0.513 -20.821 3.499) 21.119 30.110 ( 3.532 13.604 5.401) 15.057 30.391 ( -0.736 4.885 -0.827) 5.009 30.562 ( 4.395 8.553 -4.915) 10.800 30.683 ( -9.694 6.110 7.134) 13.498 31.170 ( -0.966 3.436 0.315) 3.583 31.369 ( 6.953 -6.579 -0.476) 9.584 31.458 ( -1.791 -7.286 -0.716) 7.537 31.507 ( -3.823 4.852 -1.414) 6.337 32.400 ( 0.780 13.734 5.081) 14.665 32.567 ( 1.337 13.336 0.380) 13.409 33.045 ( -0.049 -2.365 0.183) 2.372 33.351 ( 2.213 -6.392 -8.678) 11.003 34.956 ( -1.142 -0.574 3.137) 3.388 35.035 ( -3.012 -0.975 3.903) 5.026 35.180 ( 3.864 2.823 3.256) 5.788 35.256 ( -0.461 0.669 -1.971) 2.132 35.429 ( -4.302 -2.176 4.719) 6.746 35.570 ( 0.043 4.395 -1.070) 4.523 37.104 ( 7.986 -13.615 -6.345) 17.012 37.450 ( -12.003 -21.389 5.383) 25.110 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -3.739 16.247 15.285) 22.618 1.091 ( -7.440 27.208 16.766) 32.813 1.524 ( -11.376 7.851 22.953) 26.794 1.871 ( -1.026 11.142 -11.602) 16.119 1.952 ( -6.427 8.680 -11.950) 16.107 2.327 ( 6.958 0.948 -2.393) 7.419 2.658 ( 0.654 -6.994 3.922) 8.045 2.734 ( 3.706 -3.308 3.072) 5.841 2.955 ( 7.206 2.954 1.854) 8.006 2.998 ( 3.049 -1.483 0.527) 3.431 3.056 ( 0.989 2.710 -2.067) 3.549 3.258 ( 0.006 -5.987 -0.142) 5.989 3.471 ( 2.084 -3.042 2.758) 4.605 3.669 ( 2.546 -6.309 -2.819) 7.364 3.775 ( -0.964 1.725 -2.135) 2.909 3.852 ( 3.198 1.408 1.832) 3.945 4.061 ( -3.958 -4.049 -3.851) 6.847 4.293 ( -8.263 -4.120 -1.083) 9.296 4.338 ( -0.282 -3.950 -4.143) 5.731 4.446 ( -2.561 1.146 3.864) 4.775 4.754 ( -2.242 11.625 2.588) 12.119 4.850 ( 0.742 -0.708 -2.213) 2.439 4.951 ( -0.362 5.636 0.461) 5.667 5.083 ( -12.071 0.836 -5.670) 13.362 5.368 ( 5.282 -2.054 0.004) 5.667 5.425 ( -2.562 0.471 3.151) 4.089 5.465 ( 3.223 1.342 -1.947) 3.997 5.546 ( -0.945 -0.272 -6.925) 6.994 6.022 ( -1.351 -6.796 -1.368) 7.063 6.166 ( -2.975 -4.403 -5.723) 7.810 7.615 ( 2.907 -4.098 11.344) 12.407 7.691 ( 2.302 -6.629 4.832) 8.520 7.872 ( -0.372 -1.572 -2.157) 2.695 8.020 ( 0.645 4.838 0.348) 4.893 8.682 ( -3.283 -1.250 3.825) 5.193 8.822 ( -2.009 5.830 3.582) 7.131 8.929 ( 3.900 -3.739 3.031) 6.195 9.057 ( -2.668 2.262 -4.922) 6.038 9.095 ( -3.177 -1.540 4.355) 5.607 9.187 ( -2.691 -2.322 -4.737) 5.922 9.603 ( 0.521 2.798 -2.352) 3.692 9.638 ( 2.697 1.146 -1.417) 3.255 10.120 ( 1.700 -7.595 5.439) 9.495 10.165 ( 1.291 -3.024 -0.504) 3.327 10.502 ( -3.290 -7.909 -1.339) 8.670 10.577 ( -2.827 -5.666 -5.754) 8.556 11.027 ( -6.215 7.855 -4.973) 11.183 11.221 ( 0.339 -1.362 -0.907) 1.671 11.337 ( -0.769 0.471 -1.797) 2.010 11.432 ( -3.454 2.131 -8.148) 9.102 11.779 ( -1.117 -4.021 6.956) 8.112 11.991 ( 1.579 -1.662 8.347) 8.656 12.021 ( 2.486 -2.074 10.799) 11.274 12.243 ( 1.792 0.194 -5.005) 5.320 12.468 ( 3.830 -1.890 -0.378) 4.288 12.587 ( 1.195 -3.230 -0.988) 3.583 12.829 ( 0.751 -7.591 -2.426) 8.004 12.949 ( -1.721 -3.970 -7.792) 8.913 13.303 ( 1.220 2.023 0.092) 2.364 13.580 ( -4.592 4.640 -2.767) 7.090 13.606 ( -1.883 -0.203 2.552) 3.178 13.732 ( 1.370 5.370 -0.420) 5.558 14.211 ( 12.828 -5.927 8.471) 16.476 14.448 ( -0.096 -0.677 0.949) 1.169 14.701 ( 2.541 10.658 2.504) 11.239 15.020 ( -1.907 10.273 -0.122) 10.449 15.116 ( -0.210 8.370 -6.666) 10.702 15.177 ( 6.114 16.138 -11.555) 20.769 15.722 ( 8.225 -0.048 11.530) 14.163 16.100 ( -6.574 -4.173 2.998) 8.344 16.335 ( -2.730 -2.148 -5.433) 6.449 16.423 ( 4.967 13.164 -6.961) 15.697 16.904 ( 1.891 -1.067 -1.588) 2.691 17.028 ( -1.495 3.735 -2.045) 4.513 17.144 ( 4.522 5.314 4.072) 8.079 17.392 ( -6.838 3.095 1.070) 7.582 19.646 ( 5.674 3.164 5.904) 8.779 19.843 ( 0.228 -1.670 1.982) 2.602 20.824 ( -1.850 -12.784 1.989) 13.069 20.983 ( 0.382 -11.950 -3.665) 12.505 21.744 ( -9.547 11.379 4.498) 15.519 21.948 ( 4.125 12.650 -4.711) 14.115 23.080 ( -4.902 -4.875 1.369) 7.048 23.198 ( 1.866 -4.136 -3.968) 6.027 26.871 ( -0.219 9.798 0.176) 9.802 27.073 ( -0.740 25.453 -10.774) 27.650 29.088 ( 2.338 -19.402 3.903) 19.929 29.165 ( 1.884 -15.712 1.455) 15.892 30.064 ( 28.292 6.294 9.520) 30.507 30.292 ( -2.393 4.690 1.359) 5.438 30.392 ( 2.728 11.530 2.501) 12.109 30.563 ( -5.848 4.116 3.526) 7.974 31.095 ( -1.649 2.815 0.087) 3.264 31.272 ( -2.700 10.027 -3.601) 10.991 31.595 ( 2.758 -11.495 2.017) 11.992 31.686 ( 0.005 -14.370 0.284) 14.373 32.184 ( 1.740 14.255 4.490) 15.046 32.315 ( 1.529 15.750 -0.043) 15.824 33.089 ( 0.857 -1.764 0.057) 1.962 33.410 ( 2.354 -3.871 -9.756) 10.757 34.980 ( -0.838 -0.700 4.025) 4.171 35.038 ( -1.937 0.834 4.445) 4.920 35.208 ( 3.230 -1.548 0.179) 3.587 35.252 ( 3.211 -0.131 -0.429) 3.242 35.398 ( -1.668 4.151 -2.809) 5.283 35.481 ( -6.824 1.734 1.554) 7.210 37.392 ( 16.857 -10.719 -6.531) 21.018 37.722 ( -30.961 -21.254 -0.003) 37.554 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 5.513 0.000 16.117) 17.033 1.238 ( 14.418 0.000 15.193) 20.945 1.492 ( 7.683 0.000 -16.887) 18.553 1.736 ( 15.736 0.000 -15.481) 22.074 1.939 ( 14.205 0.000 12.375) 18.839 2.343 ( 11.768 0.000 -13.042) 17.566 2.727 ( -4.877 -0.000 0.086) 4.877 2.738 ( -5.443 -0.000 3.986) 6.746 3.007 ( -2.420 -0.000 1.610) 2.907 3.073 ( 1.454 0.000 1.042) 1.789 3.257 ( 1.481 0.000 -9.643) 9.756 3.260 ( 8.229 0.000 -1.756) 8.414 3.587 ( -3.800 -0.000 -1.192) 3.982 3.600 ( -1.033 -0.000 2.970) 3.144 3.796 ( -7.541 -0.000 -3.538) 8.330 3.882 ( -0.911 -0.000 0.836) 1.237 4.037 ( -4.354 -0.000 -1.163) 4.507 4.045 ( -1.234 -0.000 7.080) 7.186 4.324 ( -3.535 -0.000 6.611) 7.497 4.475 ( 0.486 0.000 -3.417) 3.452 4.604 ( -14.577 -0.000 4.751) 15.331 4.781 ( 6.833 0.000 4.454) 8.156 4.963 ( 11.769 0.000 -4.589) 12.632 4.981 ( 11.571 0.000 2.913) 11.932 5.370 ( -5.836 -0.000 0.150) 5.838 5.409 ( -1.751 -0.000 -4.157) 4.510 5.450 ( 0.842 0.000 -1.669) 1.869 5.579 ( 3.175 0.000 0.654) 3.242 6.010 ( -3.497 -0.000 2.581) 4.347 6.099 ( -0.492 -0.000 -1.992) 2.052 7.697 ( -2.353 -0.000 2.499) 3.432 7.766 ( 0.912 0.000 -0.499) 1.040 7.952 ( 0.705 0.000 4.534) 4.589 7.974 ( -0.220 -0.000 -1.608) 1.623 8.811 ( 7.768 0.000 4.401) 8.928 8.846 ( 1.236 0.000 -5.465) 5.603 8.963 ( 1.705 0.000 0.338) 1.739 9.044 ( 4.340 0.000 -2.758) 5.142 9.184 ( 0.429 0.000 1.509) 1.568 9.240 ( 5.626 0.000 2.093) 6.003 9.483 ( -2.563 -0.000 -1.223) 2.840 9.643 ( 3.631 0.000 -3.961) 5.373 10.114 ( -8.349 -0.000 1.815) 8.544 10.231 ( -1.116 -0.000 8.057) 8.134 10.425 ( -2.422 -0.000 -5.910) 6.387 10.687 ( 10.426 0.000 -3.205) 10.908 10.962 ( -1.110 -0.000 8.607) 8.678 11.109 ( -3.598 -0.000 -10.500) 11.099 11.295 ( 4.392 0.000 1.328) 4.588 11.353 ( 5.541 0.000 -2.804) 6.210 11.927 ( -4.472 -0.000 9.272) 10.294 12.047 ( -5.861 -0.000 6.382) 8.665 12.171 ( -2.746 -0.000 -9.666) 10.048 12.293 ( 4.636 0.000 4.536) 6.486 12.591 ( 2.179 0.000 -2.098) 3.025 12.610 ( 3.428 0.000 -7.905) 8.617 12.717 ( -7.363 -0.000 -1.332) 7.482 12.928 ( 3.684 0.000 -0.773) 3.764 13.321 ( -2.535 -0.000 -3.073) 3.983 13.372 ( 5.812 0.000 4.320) 7.241 13.648 ( -2.800 -0.000 0.951) 2.957 13.651 ( -0.604 -0.000 2.730) 2.796 14.419 ( -0.607 -0.000 -0.015) 0.608 14.484 ( 0.807 0.000 -2.257) 2.397 14.623 ( -19.623 -0.000 -10.280) 22.153 14.908 ( 4.555 0.000 1.621) 4.835 14.914 ( -1.273 -0.000 0.319) 1.312 15.031 ( 3.323 0.000 -3.345) 4.715 15.982 ( -3.798 -0.000 2.432) 4.510 16.147 ( 8.369 0.000 4.366) 9.440 16.246 ( -1.381 -0.000 -3.254) 3.535 16.290 ( 0.645 0.000 -1.640) 1.762 16.925 ( -0.986 -0.000 -1.750) 2.009 16.958 ( 2.577 0.000 0.116) 2.580 17.151 ( -7.469 -0.000 -1.853) 7.696 17.353 ( 8.769 0.000 5.021) 10.105 19.755 ( -5.887 -0.000 -2.788) 6.513 19.845 ( 3.243 0.000 4.820) 5.810 20.989 ( 0.949 0.000 2.283) 2.472 21.052 ( 0.786 0.000 -2.861) 2.967 21.532 ( -5.613 -0.000 6.827) 8.838 21.871 ( 5.909 0.000 -4.165) 7.230 23.096 ( -1.444 -0.000 2.399) 2.800 23.236 ( 3.376 0.000 -2.523) 4.214 26.782 ( 0.184 0.000 -0.117) 0.218 26.786 ( 0.472 0.000 -0.077) 0.478 29.336 ( 1.894 0.000 1.109) 2.194 29.343 ( 1.500 0.000 0.000) 1.500 29.938 ( -20.972 -0.000 0.667) 20.982 30.271 ( -0.438 -0.000 -0.443) 0.623 30.311 ( -4.115 -0.000 -3.479) 5.389 30.944 ( 5.180 0.000 -6.836) 8.577 31.056 ( -1.231 -0.000 -0.020) 1.231 31.310 ( 26.757 0.000 -1.297) 26.788 31.869 ( 4.845 0.000 1.820) 5.176 31.941 ( 2.835 0.000 -2.309) 3.657 32.118 ( 1.885 0.000 -1.625) 2.489 32.250 ( 27.574 0.000 -13.303) 30.615 33.124 ( -2.262 -0.000 3.728) 4.361 33.321 ( 2.609 0.000 -10.874) 11.182 35.048 ( -0.175 -0.000 4.488) 4.491 35.091 ( 0.889 0.000 3.653) 3.759 35.166 ( -10.098 -0.000 0.294) 10.103 35.238 ( -0.432 -0.000 -4.474) 4.495 35.243 ( -4.864 -0.000 -3.121) 5.779 35.483 ( 6.716 0.000 7.601) 10.143 36.880 ( -49.388 -0.000 11.739) 50.764 37.994 ( 21.895 0.000 3.013) 22.101 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.803 -11.679 10.350) 15.856 1.514 ( 7.453 -8.467 3.909) 11.938 1.611 ( 12.965 -11.034 -4.660) 17.650 1.868 ( 15.603 -9.809 -12.261) 22.136 2.086 ( 11.370 1.780 2.629) 11.805 2.414 ( 15.545 -4.660 -8.150) 18.160 2.690 ( -1.661 -2.517 -0.699) 3.096 2.782 ( -3.687 -3.497 0.351) 5.094 2.961 ( -1.327 3.924 -0.217) 4.148 3.025 ( -1.011 1.586 -0.319) 1.908 3.206 ( 0.819 1.512 -10.313) 10.456 3.278 ( 5.626 2.605 -3.276) 7.012 3.483 ( -4.259 5.422 -2.600) 7.369 3.579 ( -1.350 2.650 2.472) 3.868 3.752 ( -4.333 -2.005 -0.832) 4.847 3.838 ( -4.994 3.320 2.027) 6.331 3.989 ( 0.181 -0.111 -1.191) 1.210 4.104 ( -0.652 -1.097 6.659) 6.780 4.372 ( -5.823 -1.348 0.303) 5.985 4.415 ( -6.214 -1.094 3.634) 7.282 4.639 ( -1.125 -3.173 7.297) 8.036 4.868 ( 5.499 -0.642 5.399) 7.733 4.972 ( 6.960 2.474 -2.283) 7.731 5.196 ( 11.249 -7.603 -0.247) 13.580 5.281 ( 0.141 3.778 -2.095) 4.322 5.376 ( -4.168 -1.097 -0.481) 4.337 5.472 ( 2.326 -2.356 -2.518) 4.159 5.615 ( 2.022 -1.725 -0.041) 2.658 5.926 ( -3.046 8.459 3.877) 9.791 6.059 ( 0.016 3.689 1.188) 3.876 7.676 ( 0.442 2.528 2.351) 3.481 7.753 ( 1.900 2.414 0.219) 3.080 7.882 ( -3.044 4.673 -3.687) 6.686 8.048 ( 0.639 -3.850 1.808) 4.301 8.777 ( 0.034 2.292 -1.693) 2.849 8.882 ( -1.764 1.796 0.384) 2.547 9.004 ( 3.284 -2.231 1.998) 4.444 9.058 ( 5.663 1.242 -2.063) 6.154 9.154 ( -1.906 1.626 -3.099) 3.985 9.280 ( 5.964 1.349 -1.173) 6.226 9.528 ( 1.325 -4.885 1.470) 5.270 9.654 ( 4.300 0.292 -2.858) 5.171 10.019 ( -5.852 4.761 3.912) 8.498 10.251 ( 1.823 4.039 9.686) 10.651 10.319 ( -2.021 5.734 -6.152) 8.649 10.691 ( 8.024 5.929 -1.716) 10.123 10.998 ( -1.866 -1.532 6.986) 7.392 11.094 ( -2.730 -5.735 -6.064) 8.781 11.331 ( 5.856 1.016 1.239) 6.071 11.439 ( 6.637 -4.798 -1.082) 8.261 11.877 ( -4.761 5.539 8.251) 11.020 12.041 ( -4.898 0.350 -4.050) 6.365 12.084 ( -2.010 0.348 -1.669) 2.636 12.285 ( 3.634 5.528 2.618) 7.114 12.506 ( -1.853 3.280 -11.056) 11.680 12.595 ( 2.514 0.078 -4.568) 5.214 12.675 ( -3.017 2.386 7.717) 8.623 12.874 ( 1.393 7.105 -2.432) 7.638 13.309 ( -3.318 -2.811 -2.395) 4.965 13.513 ( 7.437 -5.028 6.057) 10.829 13.661 ( -2.060 -0.538 0.572) 2.205 13.687 ( 0.153 -3.695 3.324) 4.972 14.315 ( -12.076 2.534 -9.592) 15.629 14.475 ( 1.590 -6.689 -1.008) 6.949 14.706 ( -6.100 -15.507 -3.212) 16.970 14.944 ( -0.658 -2.319 1.983) 3.122 14.980 ( -0.341 -5.186 0.341) 5.209 15.088 ( 0.767 -6.882 -1.650) 7.119 15.992 ( -0.915 -2.686 -5.636) 6.310 16.115 ( 4.139 7.126 4.865) 9.569 16.233 ( -0.941 -0.893 2.613) 2.917 16.315 ( -0.574 0.054 -1.838) 1.927 16.912 ( -1.286 -0.706 -3.078) 3.410 17.010 ( 2.505 -2.609 0.712) 3.686 17.166 ( -4.267 -7.463 -1.214) 8.682 17.453 ( 5.747 -1.351 3.869) 7.058 19.720 ( -5.074 -3.450 -4.053) 7.354 19.864 ( 0.112 1.531 1.704) 2.294 20.859 ( -0.216 13.497 3.387) 13.917 20.935 ( 2.137 11.395 -2.873) 11.944 21.690 ( -2.899 -14.533 6.197) 16.063 22.006 ( 5.335 -11.243 -4.015) 13.076 23.040 ( -1.563 6.338 3.563) 7.437 23.215 ( 3.995 3.991 -2.180) 6.053 26.902 ( -0.443 -12.541 -0.929) 12.583 26.912 ( 0.016 -12.893 1.286) 12.957 29.113 ( -3.294 19.786 -1.092) 20.088 29.238 ( 3.718 13.513 -0.715) 14.033 29.974 ( -10.272 -15.841 -2.924) 19.105 30.271 ( -1.074 -1.059 -0.465) 1.578 30.313 ( -3.069 -3.805 0.295) 4.898 30.953 ( 1.391 -2.240 -5.172) 5.805 31.093 ( -1.335 -4.420 1.305) 4.798 31.439 ( 11.850 3.856 0.069) 12.462 31.686 ( 3.145 13.920 -1.512) 14.350 31.941 ( 18.326 5.743 -8.396) 20.960 32.282 ( 1.070 -15.229 -0.503) 15.274 32.511 ( 20.030 -10.232 -15.165) 27.127 33.103 ( -3.689 2.520 5.064) 6.753 33.255 ( 3.313 3.013 -9.507) 10.509 35.045 ( -5.195 2.102 2.275) 6.049 35.073 ( -1.594 1.645 1.113) 2.547 35.122 ( -2.636 -1.018 2.114) 3.529 35.212 ( -2.729 -2.734 2.648) 4.684 35.290 ( -1.712 -5.797 -5.154) 7.943 35.567 ( 5.825 0.853 6.920) 9.085 36.559 ( -40.206 3.912 15.621) 43.311 38.046 ( 17.046 12.871 2.123) 21.465 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 9.358 -6.557 -5.330) 12.609 1.743 ( -0.830 -15.454 8.953) 17.880 1.820 ( -2.554 -7.154 0.958) 7.656 2.026 ( 4.441 1.551 -9.287) 10.410 2.203 ( 11.198 -10.932 -0.779) 15.669 2.604 ( 8.801 0.041 -5.543) 10.401 2.682 ( 1.646 -0.509 -6.674) 6.893 2.808 ( 2.168 -3.871 -2.064) 4.893 2.964 ( 4.859 -7.726 2.855) 9.563 3.077 ( 3.370 1.249 -7.422) 8.247 3.106 ( 0.596 -1.739 -8.035) 8.242 3.225 ( 2.142 3.621 -1.881) 4.608 3.415 ( 1.469 -1.828 1.807) 2.961 3.506 ( -2.750 3.448 -0.667) 4.461 3.767 ( -3.469 1.968 4.514) 6.024 3.785 ( 1.407 -1.368 2.489) 3.170 3.951 ( 1.108 4.375 -2.174) 5.009 4.168 ( 0.402 -0.558 7.704) 7.735 4.273 ( -10.301 -0.242 -6.659) 12.268 4.424 ( -2.736 1.899 4.223) 5.379 4.723 ( 0.082 -1.489 5.015) 5.232 4.914 ( 6.882 4.120 6.387) 10.253 4.985 ( -4.504 -3.408 0.251) 5.653 5.143 ( 0.566 4.396 -1.126) 4.573 5.374 ( -3.132 -1.720 0.094) 3.574 5.474 ( 9.235 -3.598 1.373) 10.006 5.558 ( 6.210 -6.980 -3.471) 9.966 5.668 ( 1.638 -3.257 -0.116) 3.648 5.750 ( -1.767 8.497 1.930) 8.891 5.984 ( -1.960 5.514 4.698) 7.505 7.586 ( -2.445 7.231 -1.076) 7.708 7.732 ( -0.557 3.072 -5.040) 5.929 7.738 ( -2.145 4.822 1.494) 5.484 8.113 ( 0.952 -3.726 -1.462) 4.114 8.753 ( -4.386 -0.108 -2.731) 5.168 8.765 ( -1.385 5.453 1.657) 5.865 9.053 ( 4.090 2.541 2.131) 5.266 9.058 ( 0.338 1.542 -2.574) 3.020 9.126 ( 1.819 -0.221 2.267) 2.915 9.249 ( 1.963 3.739 -3.388) 5.414 9.601 ( -1.646 -2.501 -3.431) 4.554 9.682 ( 4.764 -1.222 -1.119) 5.044 9.958 ( -0.076 2.057 7.119) 7.410 10.124 ( 2.634 10.409 -2.409) 11.004 10.255 ( -1.950 2.666 5.264) 6.214 10.607 ( 7.076 7.624 -2.165) 10.625 11.057 ( -3.140 -2.510 4.927) 6.359 11.178 ( -3.046 -7.206 -0.588) 7.846 11.355 ( 5.902 2.151 -0.132) 6.283 11.586 ( 5.715 -6.526 -0.389) 8.683 11.802 ( -4.018 2.292 5.238) 6.989 11.941 ( 2.088 4.414 -4.785) 6.837 12.102 ( -2.398 -2.681 0.034) 3.598 12.224 ( 2.655 4.030 -0.598) 4.863 12.386 ( -3.178 2.586 -5.908) 7.189 12.583 ( 2.645 2.059 -3.853) 5.107 12.654 ( -0.205 3.822 9.316) 10.071 12.738 ( -0.080 4.469 -2.962) 5.362 13.334 ( -4.620 -4.839 -1.763) 6.918 13.602 ( -4.369 0.798 2.435) 5.065 13.706 ( 4.351 -4.916 2.785) 7.132 13.814 ( 7.622 -3.129 4.112) 9.208 14.165 ( -12.074 -2.783 -11.845) 17.141 14.595 ( 3.392 -1.572 -4.057) 5.516 14.819 ( -0.148 -1.932 3.277) 3.807 15.064 ( -4.235 -10.832 5.496) 12.863 15.132 ( 1.666 -7.820 2.031) 8.250 15.230 ( -2.062 -10.314 -1.371) 10.607 15.966 ( -2.101 -2.360 -10.626) 11.086 16.086 ( 5.178 4.028 7.716) 10.128 16.229 ( -2.896 4.191 -3.747) 6.324 16.340 ( -0.905 -7.203 5.489) 9.101 16.908 ( -0.464 -1.750 -3.316) 3.778 17.083 ( 2.411 -2.606 1.971) 4.061 17.274 ( -2.832 -7.197 -2.120) 8.019 17.515 ( 1.794 -0.336 2.699) 3.258 19.762 ( -3.361 -7.288 -4.980) 9.446 19.830 ( -2.512 -0.296 -2.084) 3.277 20.613 ( -0.636 15.426 3.857) 15.914 20.707 ( 3.173 13.900 -2.305) 14.442 21.998 ( -1.466 -17.330 5.305) 18.183 22.250 ( 4.269 -13.654 -4.059) 14.871 22.909 ( -2.186 8.959 4.745) 10.371 23.133 ( 3.940 7.398 -2.039) 8.626 27.153 ( -1.273 -17.391 -2.834) 17.666 27.232 ( -1.800 -20.211 5.290) 20.969 28.691 ( -2.699 22.913 -2.318) 23.187 28.962 ( 5.361 19.042 -2.506) 19.941 30.217 ( -0.278 -15.211 -2.263) 15.381 30.300 ( -1.727 -2.982 1.714) 3.849 30.378 ( -3.712 -6.903 1.092) 7.913 30.978 ( 1.002 -2.077 -3.740) 4.393 31.171 ( -3.955 -4.454 1.588) 6.165 31.358 ( 4.050 10.718 -0.195) 11.460 31.487 ( 4.063 9.613 -0.588) 10.453 31.983 ( 21.593 2.057 -12.727) 25.149 32.560 ( 0.839 -15.220 -2.061) 15.382 32.679 ( 6.379 -5.660 -11.366) 14.209 33.037 ( -4.315 4.791 5.704) 8.609 33.188 ( 5.481 2.785 -5.777) 8.437 34.972 ( -6.403 1.231 1.760) 6.754 35.044 ( -0.847 1.479 0.934) 1.944 35.158 ( 0.119 -1.873 3.011) 3.548 35.271 ( -4.648 -3.811 4.467) 7.489 35.344 ( -2.825 -3.626 -0.127) 4.598 35.601 ( 2.673 2.338 2.806) 4.527 36.373 ( -22.877 -2.373 13.074) 26.456 37.843 ( 11.804 20.904 -2.533) 24.140 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 6.895 3.396 -6.603) 10.133 1.895 ( -5.801 -4.212 3.237) 7.866 1.952 ( 2.142 0.569 -4.215) 4.762 2.061 ( -5.746 -16.389 1.212) 17.409 2.345 ( 3.059 3.798 0.650) 4.920 2.493 ( -2.835 0.096 -4.753) 5.535 2.722 ( 8.866 -0.914 -3.171) 9.460 2.920 ( 1.410 4.759 -3.511) 6.080 2.981 ( 5.815 -2.606 -11.489) 13.138 3.054 ( 2.430 4.300 -3.648) 6.140 3.186 ( 9.849 -4.469 -1.689) 10.946 3.258 ( 0.060 -3.593 -1.574) 3.923 3.467 ( -0.810 -5.293 1.591) 5.586 3.576 ( 3.401 -5.263 1.807) 6.522 3.758 ( -1.016 2.349 6.045) 6.564 3.852 ( 3.870 -0.837 4.380) 5.904 3.863 ( 2.820 1.943 0.234) 3.433 4.072 ( -10.227 4.862 -2.819) 11.670 4.282 ( 2.664 -2.511 -2.731) 4.567 4.385 ( -4.407 -0.429 1.907) 4.821 4.733 ( -2.218 -0.603 -0.727) 2.411 4.888 ( 4.130 6.124 2.936) 7.949 5.014 ( -5.744 -2.622 1.776) 6.559 5.110 ( -0.851 1.294 3.673) 3.986 5.386 ( -1.872 -1.163 1.215) 2.516 5.464 ( 1.993 5.479 4.561) 7.402 5.626 ( 1.145 -0.574 -0.765) 1.491 5.658 ( 1.340 2.731 0.087) 3.044 5.830 ( 0.744 -1.882 0.175) 2.031 5.956 ( 3.011 -6.160 0.345) 6.866 7.433 ( -2.013 6.559 1.807) 7.095 7.560 ( -4.107 7.074 -1.133) 8.258 7.716 ( -0.049 -0.437 -2.790) 2.824 8.181 ( 0.756 -4.095 -5.585) 6.967 8.636 ( -5.429 1.372 -0.403) 5.614 8.785 ( 2.345 0.600 1.609) 2.907 8.980 ( -3.014 2.683 -1.269) 4.230 9.023 ( 1.793 3.454 -3.314) 5.112 9.125 ( 3.716 4.799 5.603) 8.260 9.196 ( 3.044 2.649 -2.299) 4.644 9.614 ( -2.576 -4.563 -4.539) 6.932 9.748 ( 1.442 -3.449 2.521) 4.509 9.907 ( 3.652 10.427 1.528) 11.153 10.062 ( -0.499 -3.917 2.420) 4.631 10.197 ( -2.198 4.681 3.602) 6.302 10.520 ( 5.019 5.692 -3.971) 8.565 11.090 ( -3.598 -1.254 4.587) 5.963 11.254 ( -2.428 -3.226 0.443) 4.062 11.335 ( 2.628 2.839 -0.797) 3.951 11.709 ( 4.294 -1.340 -2.335) 5.069 11.819 ( -2.472 -5.383 2.913) 6.600 11.882 ( 2.364 3.745 2.510) 5.090 12.130 ( -0.575 -2.347 -3.083) 3.917 12.195 ( -1.145 -2.561 -4.030) 4.910 12.294 ( -0.537 4.286 -0.036) 4.320 12.480 ( 1.664 7.109 -5.570) 9.184 12.647 ( 0.670 1.956 6.497) 6.818 12.723 ( 2.440 0.170 0.813) 2.577 13.408 ( -3.079 -7.778 -0.661) 8.391 13.587 ( -2.997 -1.564 3.417) 4.807 13.812 ( 0.581 -3.356 -1.511) 3.726 13.866 ( 2.750 5.121 3.741) 6.913 14.119 ( -0.500 -2.780 -8.950) 9.386 14.526 ( -1.640 3.696 -0.177) 4.047 14.919 ( 2.447 -4.816 2.430) 5.923 15.159 ( -1.522 1.705 1.168) 2.567 15.271 ( -1.254 -7.052 3.063) 7.790 15.409 ( 0.467 -9.711 2.696) 10.090 15.931 ( -5.422 -0.309 -8.880) 10.409 16.120 ( 4.005 0.903 3.425) 5.346 16.127 ( 0.435 2.713 2.495) 3.712 16.503 ( -0.171 -8.861 0.176) 8.864 16.923 ( 0.666 -1.461 -2.433) 2.915 17.163 ( 2.451 -2.690 3.495) 5.046 17.319 ( -3.001 -1.675 -3.751) 5.087 17.538 ( -0.398 -0.517 2.631) 2.711 19.810 ( -2.151 -4.746 -3.753) 6.422 19.904 ( -1.215 -10.306 -4.882) 11.468 20.365 ( -0.654 13.565 3.797) 14.102 20.488 ( 3.341 12.084 -1.381) 12.614 22.314 ( -1.318 -15.917 4.143) 16.500 22.485 ( 2.573 -11.486 -4.229) 12.508 22.753 ( -2.565 8.976 5.050) 10.613 22.990 ( 3.020 10.364 -2.138) 11.004 27.461 ( -0.579 -19.602 -1.834) 19.696 27.616 ( -3.919 -21.468 5.362) 22.471 28.250 ( -0.431 24.116 -1.210) 24.150 28.653 ( 5.699 17.638 -5.428) 19.314 30.353 ( -2.542 -3.185 1.741) 4.432 30.366 ( -1.786 -3.961 3.482) 5.568 30.596 ( 4.360 -14.285 -1.543) 15.015 30.997 ( 2.748 -0.678 -3.333) 4.372 31.153 ( 1.015 8.513 -0.169) 8.575 31.190 ( -2.554 3.933 -1.092) 4.815 31.414 ( -0.627 2.063 3.749) 4.324 31.985 ( 15.243 6.111 -14.770) 22.087 32.713 ( -0.864 -3.480 -5.769) 6.793 32.802 ( 0.040 -12.508 -3.997) 13.131 32.942 ( -2.819 5.978 5.916) 8.870 33.169 ( 4.981 2.525 -1.615) 5.813 34.932 ( -4.032 0.037 2.288) 4.636 35.018 ( -1.955 1.188 2.441) 3.346 35.214 ( 0.432 -2.074 3.397) 4.003 35.295 ( -6.319 -1.492 1.747) 6.724 35.383 ( -3.428 -0.994 7.957) 8.721 35.575 ( -1.126 1.148 0.627) 1.726 36.437 ( -5.143 -10.326 4.038) 12.222 37.514 ( 7.036 19.990 -5.891) 21.996 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.775 8.159 -0.145) 8.619 1.786 ( -0.944 10.504 5.718) 11.997 2.056 ( 0.493 -7.138 -2.439) 7.559 2.201 ( -1.028 -3.555 0.261) 3.710 2.363 ( 0.609 -4.462 1.715) 4.819 2.491 ( -2.555 -4.162 -3.730) 6.146 2.754 ( 8.034 6.496 -0.125) 10.333 2.837 ( 3.725 3.741 -1.284) 5.433 2.911 ( 3.094 4.663 -8.503) 10.179 2.985 ( 2.255 3.124 -6.308) 7.392 3.189 ( 1.875 4.415 -2.878) 5.594 3.388 ( 8.563 -5.277 1.720) 10.205 3.506 ( -7.142 3.644 -1.069) 8.089 3.589 ( -3.237 6.547 2.849) 7.840 3.691 ( -2.773 0.816 3.264) 4.360 3.866 ( -4.099 -3.034 -3.574) 6.227 3.885 ( -4.070 2.183 -3.813) 5.990 4.025 ( 9.063 0.431 8.546) 12.465 4.273 ( -2.970 -0.563 -5.075) 5.907 4.420 ( -0.583 -3.143 0.537) 3.242 4.745 ( -3.888 -4.403 -0.908) 5.944 4.838 ( 3.623 2.408 -1.406) 4.572 5.019 ( -3.641 -0.428 2.547) 4.465 5.125 ( 0.549 -4.199 2.715) 5.030 5.395 ( -2.520 -0.518 2.070) 3.302 5.466 ( 0.319 0.576 6.224) 6.259 5.595 ( 1.989 4.331 -1.077) 4.886 5.660 ( 1.197 -1.025 2.791) 3.205 5.763 ( -4.734 4.058 -1.183) 6.346 6.107 ( 1.797 -5.762 -7.693) 9.778 7.387 ( 1.250 0.780 8.041) 8.175 7.470 ( 1.802 1.954 3.200) 4.160 7.737 ( 1.705 -3.276 -3.277) 4.937 8.172 ( -3.483 -0.492 -7.304) 8.107 8.634 ( -1.744 -3.004 1.345) 3.725 8.759 ( 1.420 2.828 -0.252) 3.174 8.940 ( -6.069 -2.808 -2.190) 7.037 8.988 ( 1.501 -0.055 -1.123) 1.875 9.086 ( 4.094 6.004 4.314) 8.451 9.169 ( 3.519 1.803 -0.858) 4.046 9.665 ( -2.274 -4.139 -4.207) 6.324 9.776 ( 2.503 5.411 0.513) 5.984 9.839 ( 0.447 -3.490 2.489) 4.310 10.099 ( -3.558 3.139 0.798) 4.812 10.170 ( 0.037 -3.828 3.784) 5.383 10.425 ( 1.364 4.847 -4.233) 6.578 11.109 ( -3.011 -1.065 5.340) 6.223 11.268 ( -0.878 -1.712 -3.180) 3.717 11.313 ( 0.456 1.299 1.077) 1.748 11.690 ( 2.296 4.199 -1.174) 4.928 11.843 ( -1.235 2.036 3.803) 4.487 11.918 ( -1.372 -1.213 4.256) 4.633 12.140 ( -2.363 -3.615 -6.739) 8.004 12.213 ( 1.731 5.837 -1.113) 6.189 12.269 ( 0.197 -7.008 -1.917) 7.268 12.366 ( 2.811 2.508 -2.447) 4.492 12.664 ( -0.305 -0.749 1.979) 2.138 12.723 ( 0.794 0.970 -0.231) 1.275 13.507 ( -5.256 -6.577 -2.628) 8.820 13.639 ( 4.040 3.857 2.773) 6.236 13.775 ( 1.768 -0.257 3.207) 3.671 13.857 ( -2.778 -0.324 -0.315) 2.814 14.055 ( 1.291 5.619 -1.667) 6.002 14.526 ( 1.490 -1.583 1.519) 2.653 15.039 ( 3.792 -4.343 -0.807) 5.822 15.070 ( -0.300 5.217 2.303) 5.711 15.362 ( -4.716 -4.563 -0.860) 6.618 15.546 ( -1.379 -1.219 0.023) 1.841 15.840 ( -0.343 -0.161 -0.481) 0.612 16.088 ( -1.227 4.567 3.202) 5.711 16.159 ( 3.482 1.024 2.002) 4.145 16.639 ( 0.411 -8.187 -7.295) 10.973 16.936 ( 1.646 -0.227 -1.665) 2.353 17.244 ( -0.012 0.093 2.215) 2.217 17.261 ( -0.561 1.114 -1.013) 1.607 17.556 ( -0.946 -0.349 1.745) 2.015 19.884 ( 2.094 -4.143 -2.895) 5.471 19.997 ( 0.419 1.777 -1.354) 2.273 20.250 ( 0.028 -3.751 -0.015) 3.751 20.336 ( 0.612 4.773 -0.054) 4.813 22.485 ( -2.868 8.866 3.342) 9.900 22.579 ( -1.865 -9.073 1.407) 9.369 22.737 ( 1.909 -3.591 -2.861) 4.972 22.814 ( 1.118 5.014 -1.196) 5.274 27.802 ( 0.401 -3.073 0.102) 3.100 27.840 ( 1.807 6.180 0.977) 6.512 27.979 ( -4.417 -19.275 2.096) 19.886 28.372 ( 3.888 12.413 -8.689) 15.643 30.377 ( -0.390 0.932 4.246) 4.364 30.439 ( -2.239 -3.259 3.588) 5.339 30.775 ( 5.993 -0.524 -3.922) 7.182 30.929 ( 3.275 9.983 -3.900) 11.207 31.072 ( 1.252 -2.356 0.257) 2.680 31.174 ( 0.708 -3.597 0.892) 3.773 31.396 ( -6.636 0.653 5.542) 8.670 31.836 ( 6.078 9.950 -13.311) 17.695 32.732 ( -0.345 -0.414 -1.494) 1.588 32.843 ( 0.679 6.253 6.298) 8.901 32.973 ( -0.346 -7.673 -5.963) 9.724 33.143 ( 1.459 1.516 -0.393) 2.141 34.930 ( -2.172 -0.716 2.902) 3.695 35.004 ( -2.501 0.146 3.505) 4.308 35.268 ( -0.829 -0.232 3.946) 4.038 35.272 ( -3.097 -1.063 1.031) 3.432 35.394 ( -3.142 1.815 7.346) 8.193 35.577 ( -4.204 -2.397 2.694) 5.539 36.660 ( 6.218 -13.482 -4.128) 15.410 37.228 ( 0.372 10.968 -4.740) 11.954 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.233 14.476 3.912) 15.161 1.650 ( -0.859 9.466 14.707) 17.511 2.077 ( -6.010 3.755 -4.988) 8.666 2.268 ( -2.645 -2.491 2.745) 4.553 2.394 ( 11.335 7.401 -1.562) 13.627 2.583 ( -3.890 5.316 3.532) 7.474 2.597 ( 5.570 1.565 -2.379) 6.255 2.654 ( 10.286 19.790 -0.905) 22.322 2.893 ( 2.734 -2.465 -1.896) 4.140 2.974 ( 2.390 -5.764 -6.473) 8.991 3.140 ( -0.037 2.064 1.070) 2.325 3.266 ( -6.215 11.897 -4.183) 14.059 3.435 ( -4.448 3.558 0.305) 5.705 3.510 ( 3.793 -2.290 0.216) 4.435 3.721 ( -3.368 -3.338 3.860) 6.115 3.801 ( -1.877 -0.990 -0.994) 2.343 3.933 ( -1.392 -6.042 -5.444) 8.251 4.107 ( 6.667 0.889 8.261) 10.653 4.228 ( -6.811 -2.398 -8.260) 10.971 4.459 ( 1.077 -0.423 1.186) 1.657 4.795 ( -5.169 -4.014 -0.162) 6.547 4.842 ( 1.969 -1.324 -3.900) 4.565 5.038 ( -1.094 -3.178 4.046) 5.260 5.275 ( 5.645 -5.830 -0.045) 8.116 5.367 ( -4.463 1.110 -0.604) 4.639 5.436 ( -4.793 6.660 5.251) 9.742 5.535 ( 3.094 3.221 -1.386) 4.676 5.616 ( -3.723 5.474 0.925) 6.684 5.750 ( 2.128 -5.266 -0.937) 5.756 6.086 ( -4.735 -0.346 -9.283) 10.427 7.473 ( 0.666 -1.506 10.433) 10.563 7.555 ( 9.586 -3.021 7.048) 12.276 7.803 ( 1.461 -3.842 -3.385) 5.325 8.100 ( -4.946 0.269 -5.141) 7.138 8.688 ( 0.279 -1.288 2.430) 2.764 8.765 ( 3.880 -2.131 1.597) 4.706 8.955 ( -6.363 -4.785 -0.985) 8.023 8.993 ( -2.005 0.341 0.061) 2.035 9.065 ( 2.638 0.797 2.513) 3.730 9.156 ( 1.531 1.355 -1.812) 2.732 9.644 ( 0.532 0.640 -1.314) 1.555 9.762 ( 1.861 2.523 -1.907) 3.670 9.907 ( 0.748 -4.646 -1.087) 4.830 10.027 ( -6.160 -0.089 -1.589) 6.362 10.244 ( -1.970 -3.087 4.208) 5.579 10.387 ( 2.045 -2.434 -3.086) 4.431 11.131 ( -3.925 -0.583 3.668) 5.403 11.264 ( -0.805 0.781 -2.604) 2.836 11.322 ( 2.941 -1.329 1.269) 3.468 11.588 ( -0.857 6.956 -0.943) 7.072 11.834 ( -1.033 3.677 0.869) 3.917 11.877 ( -1.418 1.232 3.593) 4.054 12.110 ( 0.714 4.408 3.789) 5.856 12.163 ( -1.453 -3.376 -6.300) 7.294 12.391 ( 3.077 -4.560 -2.069) 5.877 12.416 ( 1.374 -5.611 0.875) 5.843 12.681 ( -0.693 -1.651 -1.924) 2.629 12.734 ( -0.554 -3.971 -3.527) 5.340 13.520 ( 2.998 7.857 -0.115) 8.410 13.554 ( -3.597 -2.462 1.719) 4.686 13.762 ( -5.885 3.955 -1.793) 7.314 13.856 ( 1.858 1.857 -3.352) 4.259 14.076 ( 7.645 -3.691 10.904) 13.819 14.547 ( 2.574 3.141 2.893) 4.986 14.959 ( 2.104 6.940 1.772) 7.465 15.162 ( -1.366 -5.143 -3.525) 6.383 15.340 ( -3.865 1.911 -4.532) 6.255 15.461 ( -1.581 3.034 -3.419) 4.837 15.870 ( -0.026 6.104 5.918) 8.502 16.037 ( 2.955 1.342 8.671) 9.259 16.166 ( -0.278 -2.231 -4.767) 5.270 16.683 ( -0.938 -2.521 -13.177) 13.449 16.938 ( 2.652 1.185 -0.409) 2.934 17.149 ( -2.688 3.395 -3.343) 5.471 17.307 ( 2.738 1.608 5.647) 6.479 17.540 ( -0.974 2.254 -0.112) 2.458 19.859 ( 2.830 7.927 2.822) 8.878 19.933 ( 4.588 4.491 -2.214) 6.791 20.353 ( -2.486 -9.231 1.681) 9.706 20.458 ( 0.345 -14.912 -3.375) 15.293 22.251 ( -4.895 14.715 4.950) 16.279 22.486 ( 3.282 14.770 -4.139) 15.686 22.809 ( -4.804 -9.676 1.630) 10.925 22.938 ( 2.135 -9.413 -3.740) 10.351 27.449 ( 1.224 20.925 2.517) 21.111 27.882 ( -2.306 14.449 -13.766) 20.090 28.291 ( 4.154 -21.520 2.559) 22.067 28.441 ( -1.706 -20.274 0.473) 20.351 30.351 ( 2.888 6.197 5.411) 8.719 30.460 ( -1.049 1.872 1.713) 2.746 30.728 ( 6.642 6.343 -2.372) 9.486 30.761 ( -0.291 7.754 -0.178) 7.761 31.156 ( 1.911 -3.936 -0.199) 4.380 31.289 ( 1.168 -5.328 1.213) 5.587 31.361 ( -5.660 -0.898 3.328) 6.627 31.628 ( 3.693 8.918 -10.241) 14.073 32.656 ( 1.214 9.717 4.693) 10.859 32.776 ( 2.142 7.523 0.958) 7.880 33.003 ( -1.174 -1.248 -0.026) 1.714 33.189 ( 0.974 -6.951 -7.381) 10.185 34.952 ( -0.963 -0.992 3.388) 3.659 35.015 ( -2.272 -1.042 3.696) 4.462 35.253 ( -1.998 0.183 0.487) 2.064 35.288 ( 1.392 2.679 5.818) 6.555 35.377 ( -5.149 -0.587 3.331) 6.161 35.594 ( -3.890 -0.577 1.621) 4.253 36.927 ( 9.415 -10.438 -3.927) 14.596 37.127 ( -7.190 -6.936 -2.450) 10.286 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 3.814 15.237 11.556) 19.500 1.591 ( 4.001 10.390 16.680) 20.055 1.762 ( -5.436 20.757 -2.246) 21.574 2.061 ( -9.303 17.948 -2.022) 20.316 2.183 ( 6.651 17.941 -7.784) 20.657 2.359 ( 8.684 5.050 -7.370) 12.459 2.649 ( 6.991 -0.557 5.999) 9.228 2.745 ( 5.825 -3.180 7.048) 9.681 2.934 ( -0.605 -1.970 -4.566) 5.010 3.062 ( -5.876 1.498 -3.193) 6.853 3.112 ( 6.122 1.769 2.370) 6.799 3.125 ( 4.796 -7.006 -1.353) 8.598 3.436 ( 0.510 -3.295 0.634) 3.394 3.566 ( -0.323 -4.120 -2.687) 4.930 3.765 ( -3.316 -2.513 4.649) 6.239 3.857 ( 0.850 -2.806 0.186) 2.937 3.990 ( 2.137 -2.504 -1.136) 3.482 4.136 ( -8.985 -1.642 -8.596) 12.543 4.233 ( 1.452 -5.389 3.681) 6.686 4.471 ( 0.411 0.939 3.392) 3.544 4.809 ( -1.323 -0.686 -1.992) 2.487 4.822 ( -6.705 -0.942 -2.476) 7.210 5.114 ( 5.505 3.092 1.279) 6.442 5.181 ( -6.015 14.398 1.406) 15.668 5.311 ( -3.678 -0.124 0.312) 3.693 5.404 ( 5.086 -3.976 -5.391) 8.411 5.507 ( 0.571 1.952 2.305) 3.074 5.527 ( -1.540 2.256 -1.109) 2.948 5.877 ( 0.063 -7.274 0.062) 7.275 6.023 ( -5.090 -3.431 -6.229) 8.745 7.561 ( -0.505 -2.896 7.742) 8.281 7.708 ( 4.376 -2.320 2.627) 5.606 7.858 ( 4.798 -1.912 1.880) 5.497 8.037 ( -6.256 -0.187 -2.869) 6.884 8.724 ( 4.320 1.016 5.299) 6.912 8.892 ( 2.300 -4.185 2.426) 5.356 8.927 ( -0.391 2.973 1.143) 3.209 8.975 ( -5.636 -2.911 -2.173) 6.705 9.110 ( 0.477 -2.904 -0.977) 3.100 9.140 ( 3.453 1.511 1.415) 4.026 9.646 ( 1.394 2.869 -2.972) 4.360 9.688 ( 3.643 2.693 -2.850) 5.352 9.981 ( -5.999 -5.357 1.134) 8.122 10.048 ( -2.291 -8.572 -2.885) 9.330 10.340 ( -2.892 -7.154 3.114) 8.321 10.460 ( 3.185 -4.757 -3.501) 6.711 11.077 ( -5.910 4.202 1.131) 7.339 11.232 ( 2.911 1.523 -1.680) 3.690 11.369 ( 5.069 2.129 0.285) 5.505 11.435 ( -4.458 5.477 -4.472) 8.359 11.746 ( -2.905 -0.145 3.706) 4.711 11.970 ( 3.094 -5.029 4.972) 7.719 12.097 ( 0.463 1.640 7.727) 7.912 12.178 ( -1.486 -3.350 -5.998) 7.029 12.461 ( 3.615 -2.376 -0.790) 4.397 12.530 ( 1.201 -4.629 0.912) 4.869 12.701 ( -1.915 -3.758 -3.974) 5.795 12.806 ( -0.154 -6.437 -5.737) 8.624 13.414 ( 2.491 6.868 3.017) 7.904 13.593 ( -1.134 0.486 -1.941) 2.299 13.623 ( -4.121 3.057 1.163) 5.261 13.779 ( -2.239 2.815 -3.705) 5.164 14.298 ( 12.551 -3.278 11.118) 17.085 14.492 ( -0.000 4.768 2.122) 5.219 14.864 ( 1.128 6.606 3.640) 7.626 15.121 ( -4.724 1.235 -7.603) 9.036 15.205 ( -2.678 8.915 -2.438) 9.622 15.369 ( 1.522 7.957 -8.520) 11.756 15.806 ( 1.092 0.741 8.372) 8.476 16.069 ( 1.293 2.537 5.080) 5.823 16.215 ( -2.029 -5.447 -3.358) 6.712 16.566 ( -1.437 5.425 -13.699) 14.804 16.935 ( 3.436 1.605 0.976) 3.917 17.062 ( -1.693 2.702 -3.322) 4.604 17.298 ( 3.193 4.768 4.853) 7.516 17.448 ( -2.391 6.249 -1.525) 6.862 19.782 ( 3.054 4.801 4.425) 7.208 19.872 ( 1.944 3.733 -0.656) 4.259 20.571 ( -1.928 -14.565 2.496) 14.902 20.716 ( 0.929 -15.327 -4.005) 15.869 21.965 ( -5.658 15.844 5.650) 17.748 22.212 ( 4.134 15.628 -4.631) 16.816 22.934 ( -5.295 -7.775 1.909) 9.599 23.086 ( 2.616 -7.527 -4.049) 8.938 27.129 ( 0.844 17.599 2.676) 17.821 27.420 ( -4.260 22.979 -13.584) 27.032 28.745 ( 2.422 -22.780 3.932) 23.243 28.834 ( 0.959 -22.688 -0.244) 22.710 30.291 ( 3.678 5.223 2.367) 6.813 30.376 ( -0.266 6.320 -0.687) 6.363 30.578 ( -11.037 7.258 5.071) 14.149 30.742 ( 21.970 5.878 0.164) 22.744 31.154 ( -1.116 4.121 0.732) 4.332 31.345 ( -6.397 -0.042 -2.341) 6.812 31.452 ( -0.424 -11.100 0.319) 11.113 31.533 ( 14.677 0.903 -6.214) 15.964 32.483 ( 2.294 14.015 4.646) 14.942 32.599 ( 2.961 13.557 -0.264) 13.879 33.046 ( -0.489 -3.316 0.577) 3.401 33.275 ( 1.471 -6.500 -9.327) 11.463 34.984 ( -0.290 -0.895 3.596) 3.717 35.041 ( -1.918 -1.137 3.596) 4.231 35.223 ( -2.556 1.821 2.495) 4.009 35.305 ( 4.318 0.790 4.432) 6.238 35.356 ( -7.666 -0.922 0.643) 7.748 35.533 ( -1.204 4.734 -3.371) 5.935 37.079 ( -25.310 -14.005 8.138) 30.049 37.359 ( 15.429 -14.681 -7.146) 22.464 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 7.880 0.000 -8.368) 11.494 1.564 ( 11.933 0.000 6.625) 13.648 1.608 ( 12.309 0.000 4.230) 13.015 1.878 ( 17.630 0.000 -7.123) 19.014 2.219 ( 9.355 0.000 3.614) 10.029 2.434 ( 17.736 0.000 -11.862) 21.338 2.661 ( -0.973 -0.000 -1.530) 1.813 2.683 ( -6.276 -0.000 2.620) 6.801 2.976 ( -3.004 -0.000 -0.712) 3.087 3.006 ( -6.316 -0.000 -7.821) 10.053 3.160 ( 2.251 0.000 -11.593) 11.810 3.336 ( 6.144 0.000 -1.938) 6.442 3.524 ( -2.895 -0.000 -1.874) 3.449 3.561 ( -7.006 -0.000 1.416) 7.148 3.726 ( -0.753 -0.000 3.386) 3.469 3.819 ( -3.230 -0.000 -4.174) 5.278 3.930 ( -4.733 -0.000 0.128) 4.735 4.140 ( -0.912 -0.000 11.583) 11.619 4.287 ( -16.692 -0.000 3.764) 17.111 4.401 ( 0.713 0.000 6.456) 6.496 4.673 ( 7.466 0.000 3.273) 8.152 4.940 ( 7.334 0.000 5.005) 8.879 5.133 ( 15.291 0.000 -3.063) 15.595 5.170 ( 5.070 0.000 2.084) 5.482 5.294 ( -1.740 -0.000 -1.766) 2.479 5.331 ( -1.983 -0.000 -5.109) 5.480 5.442 ( -0.686 -0.000 1.104) 1.300 5.606 ( 2.264 0.000 -0.918) 2.443 6.031 ( -2.067 -0.000 7.462) 7.743 6.094 ( 0.146 0.000 0.948) 0.959 7.707 ( 0.247 0.000 -0.996) 1.026 7.808 ( 2.846 0.000 1.736) 3.333 7.944 ( -0.635 -0.000 -1.298) 1.446 7.961 ( -0.685 -0.000 -3.559) 3.624 8.747 ( -4.534 -0.000 -3.219) 5.560 8.938 ( 1.136 0.000 2.846) 3.064 9.019 ( 3.389 0.000 2.756) 4.369 9.077 ( 1.968 0.000 -5.518) 5.859 9.153 ( -0.066 -0.000 1.376) 1.378 9.308 ( 4.040 0.000 -6.037) 7.264 9.524 ( 4.877 0.000 4.243) 6.464 9.688 ( 4.874 0.000 -1.542) 5.112 10.029 ( -6.950 -0.000 3.234) 7.666 10.256 ( -4.233 -0.000 -0.505) 4.263 10.438 ( 5.602 0.000 5.257) 7.682 10.767 ( 4.231 0.000 -2.680) 5.009 10.997 ( 1.344 0.000 -5.181) 5.352 11.037 ( -3.446 -0.000 9.922) 10.503 11.413 ( 7.517 0.000 3.295) 8.208 11.427 ( 7.103 0.000 -1.592) 7.279 11.944 ( -9.116 -0.000 -3.819) 9.883 11.947 ( -4.779 -0.000 7.380) 8.792 12.074 ( 1.232 0.000 -1.323) 1.808 12.357 ( -3.069 -0.000 -0.660) 3.139 12.507 ( 8.485 0.000 -15.081) 17.304 12.533 ( -4.586 -0.000 -3.680) 5.880 12.724 ( -1.367 -0.000 9.383) 9.482 12.959 ( 0.948 0.000 -1.420) 1.707 13.285 ( -0.228 -0.000 -1.054) 1.079 13.543 ( 5.197 0.000 4.682) 6.995 13.621 ( -2.113 -0.000 1.840) 2.802 13.670 ( -0.284 -0.000 1.870) 1.891 14.188 ( -13.492 -0.000 -9.165) 16.310 14.418 ( 0.124 0.000 -0.275) 0.302 14.459 ( -0.485 -0.000 -2.356) 2.405 14.907 ( -1.361 -0.000 -2.585) 2.921 14.926 ( -0.797 -0.000 4.712) 4.779 15.059 ( 3.012 0.000 -1.615) 3.418 15.897 ( -3.629 -0.000 -10.601) 11.205 16.219 ( -0.222 -0.000 -1.442) 1.458 16.255 ( 1.690 0.000 5.885) 6.123 16.338 ( 3.721 0.000 3.310) 4.980 16.898 ( -0.121 -0.000 -1.332) 1.338 17.001 ( 2.127 0.000 1.085) 2.387 17.048 ( -3.503 -0.000 -1.259) 3.723 17.504 ( 4.186 0.000 3.226) 5.285 19.620 ( -5.601 -0.000 -5.063) 7.551 19.884 ( -2.067 -0.000 -0.116) 2.071 21.032 ( 0.823 0.000 2.508) 2.640 21.044 ( 1.327 0.000 -1.645) 2.114 21.548 ( -2.334 -0.000 6.632) 7.031 21.912 ( 4.958 0.000 -3.691) 6.181 23.109 ( -1.103 -0.000 3.008) 3.204 23.269 ( 3.574 0.000 -1.758) 3.983 26.790 ( 0.661 0.000 0.450) 0.800 26.796 ( 0.660 0.000 0.250) 0.706 29.340 ( -1.882 -0.000 -2.255) 2.937 29.370 ( 1.876 0.000 -0.460) 1.931 29.668 ( -6.402 -0.000 -3.656) 7.372 30.259 ( -0.937 -0.000 0.290) 0.981 30.265 ( -0.682 -0.000 0.963) 1.180 30.908 ( 0.750 0.000 -5.003) 5.059 31.046 ( -1.064 -0.000 0.479) 1.167 31.566 ( 10.140 0.000 0.016) 10.140 31.952 ( 1.291 0.000 -1.529) 2.001 31.956 ( 5.199 0.000 -0.430) 5.217 32.124 ( 2.497 0.000 -3.186) 4.048 32.493 ( 32.937 0.000 -30.720) 45.040 33.124 ( -5.465 -0.000 6.583) 8.556 33.255 ( 4.202 0.000 -9.761) 10.626 35.008 ( -9.343 -0.000 1.746) 9.505 35.102 ( 1.322 0.000 2.281) 2.636 35.146 ( 2.311 0.000 0.704) 2.416 35.168 ( -2.878 -0.000 -0.786) 2.984 35.180 ( -1.979 -0.000 -1.534) 2.504 35.655 ( 3.563 0.000 6.396) 7.322 36.397 ( -37.390 -0.000 23.218) 44.013 38.293 ( 10.864 0.000 2.815) 11.223 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 7.609 -12.691 -6.216) 16.050 1.664 ( 2.350 -1.389 6.282) 6.849 1.807 ( 11.974 -5.562 1.109) 13.249 1.966 ( 10.896 -1.692 -6.884) 12.999 2.235 ( 5.403 3.164 -0.044) 6.261 2.565 ( 10.426 -8.150 -3.558) 13.703 2.696 ( 4.873 0.419 -5.335) 7.237 2.724 ( 1.244 -4.551 -4.056) 6.222 2.911 ( -3.238 -1.977 -4.174) 5.640 2.954 ( -3.849 -5.001 -2.736) 6.878 3.096 ( 2.821 2.278 -11.074) 11.653 3.323 ( 3.317 4.385 -1.695) 5.754 3.415 ( -3.085 3.077 0.300) 4.368 3.559 ( -2.395 2.039 0.597) 3.201 3.689 ( -3.871 -1.646 -2.171) 4.733 3.840 ( 2.079 -0.027 4.723) 5.160 3.945 ( -1.800 -2.717 1.062) 3.428 4.189 ( -8.623 0.476 3.561) 9.341 4.207 ( -5.541 -0.562 10.954) 12.288 4.429 ( -2.980 0.352 3.257) 4.428 4.751 ( 6.123 -0.645 2.404) 6.610 4.976 ( 0.339 4.409 0.634) 4.467 5.087 ( 7.351 4.605 4.338) 9.698 5.223 ( 1.765 3.242 -2.981) 4.745 5.334 ( -0.179 -2.317 -0.220) 2.335 5.395 ( 9.278 -10.743 -2.944) 14.497 5.469 ( -0.175 -2.713 0.197) 2.725 5.629 ( 1.623 -0.751 -1.035) 2.066 5.953 ( -1.249 9.791 5.363) 11.233 6.082 ( -1.478 3.401 4.144) 5.561 7.662 ( -0.545 3.144 -5.262) 6.154 7.783 ( 1.449 4.777 -0.917) 5.075 7.854 ( 1.199 5.813 0.858) 5.997 7.990 ( -4.651 -4.425 -7.141) 9.603 8.702 ( -4.049 0.401 -0.666) 4.123 8.894 ( -0.153 7.125 2.437) 7.531 9.023 ( 0.105 -1.507 -3.112) 3.459 9.108 ( 2.439 -0.652 3.346) 4.192 9.180 ( 2.408 -0.554 4.720) 5.328 9.280 ( 2.386 1.470 -7.265) 7.787 9.585 ( 2.621 0.410 1.509) 3.052 9.695 ( 2.373 0.572 -3.425) 4.205 9.986 ( -4.109 0.503 3.890) 5.681 10.200 ( -3.511 1.942 -5.835) 7.081 10.420 ( 3.438 7.995 6.897) 11.104 10.759 ( 3.274 4.125 -2.663) 5.901 11.038 ( -0.564 -3.702 0.459) 3.773 11.048 ( -1.972 -1.331 7.373) 7.747 11.451 ( 6.781 1.980 1.405) 7.202 11.545 ( 7.476 -4.281 1.447) 8.736 11.826 ( -6.182 3.114 -0.784) 6.966 11.954 ( -4.438 -0.446 1.682) 4.767 12.091 ( 5.261 0.903 0.088) 5.338 12.330 ( -3.043 -1.150 -7.696) 8.355 12.350 ( 2.565 7.630 -1.850) 8.260 12.571 ( 0.300 -2.339 -3.351) 4.098 12.764 ( 0.820 1.707 10.469) 10.639 12.840 ( 0.096 8.909 -4.744) 10.094 13.255 ( -2.171 0.397 -0.699) 2.315 13.619 ( -2.072 0.504 3.237) 3.876 13.680 ( -1.390 -1.411 -1.047) 2.240 13.700 ( 1.431 -11.256 -0.548) 11.360 14.088 ( -0.735 3.258 0.456) 3.371 14.482 ( 0.923 -8.233 -1.600) 8.438 14.663 ( 1.624 -17.209 -0.426) 17.290 14.933 ( -1.635 -5.277 0.245) 5.530 15.014 ( -0.233 -6.083 5.738) 8.366 15.076 ( 0.400 -2.304 -1.004) 2.545 15.827 ( -4.204 -2.921 -13.981) 14.888 16.192 ( -1.078 0.223 -2.551) 2.778 16.277 ( 2.599 2.814 6.985) 7.966 16.336 ( 1.104 4.356 4.080) 6.070 16.881 ( 0.696 0.153 -1.197) 1.393 17.055 ( 1.838 -3.041 1.479) 3.849 17.109 ( -1.535 -7.499 -0.871) 7.704 17.538 ( 1.034 0.064 1.691) 1.983 19.592 ( -4.022 -4.558 -5.597) 8.263 19.820 ( -4.313 2.590 -3.623) 6.200 20.890 ( -0.878 13.413 3.337) 13.850 20.948 ( 2.737 11.082 -1.793) 11.555 21.728 ( -1.203 -14.533 6.007) 15.772 22.037 ( 3.981 -10.889 -3.471) 12.102 23.059 ( -1.537 6.147 3.754) 7.365 23.249 ( 2.921 3.868 -2.121) 5.290 26.893 ( 0.743 -10.258 -0.290) 10.289 26.931 ( -1.004 -13.461 2.252) 13.685 29.040 ( -1.956 20.054 -2.410) 20.293 29.272 ( 2.784 12.911 -2.665) 13.474 29.889 ( 2.625 -19.481 -0.621) 19.667 30.270 ( -0.311 -1.019 1.971) 2.240 30.291 ( -1.506 -2.509 2.197) 3.659 30.921 ( 1.269 -3.169 -3.379) 4.803 31.071 ( -2.293 -3.395 0.017) 4.096 31.557 ( 3.898 7.709 1.206) 8.723 31.724 ( 4.133 13.374 -2.075) 14.151 32.072 ( 11.111 -0.427 -8.867) 14.222 32.285 ( 1.730 -14.690 -2.680) 15.033 32.575 ( 18.086 -3.642 -27.962) 33.500 33.096 ( -6.361 2.156 7.330) 9.942 33.230 ( 6.376 1.133 -7.815) 10.149 34.952 ( -6.033 0.779 2.792) 6.693 35.072 ( 0.211 2.137 -1.171) 2.446 35.157 ( -0.430 -0.575 3.570) 3.641 35.194 ( -2.566 -3.204 -0.003) 4.105 35.238 ( 0.270 -5.319 0.216) 5.331 35.666 ( -1.906 2.173 1.191) 3.126 36.295 ( -23.517 0.507 28.789) 37.177 38.224 ( 5.030 14.299 -2.212) 15.318 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -5.498 -7.157 -0.142) 9.027 1.764 ( -2.481 -8.217 0.033) 8.583 1.879 ( 6.663 -0.462 -2.322) 7.071 2.024 ( 6.361 1.798 -5.318) 8.484 2.351 ( 7.319 -7.427 1.078) 10.483 2.559 ( 0.246 8.829 -7.011) 11.277 2.718 ( 7.301 -2.353 -5.520) 9.450 2.864 ( 6.110 -13.174 -1.116) 14.565 2.973 ( 0.935 2.435 -8.281) 8.682 2.998 ( -2.756 -3.687 -3.779) 5.956 3.153 ( 9.552 -11.070 0.777) 14.642 3.250 ( 4.129 4.653 -3.555) 7.164 3.416 ( -3.637 -3.291 2.463) 5.489 3.506 ( 3.784 0.403 -0.530) 3.842 3.690 ( -6.741 -3.812 -4.411) 8.912 3.879 ( 0.200 1.191 2.297) 2.595 3.977 ( 3.417 0.337 7.833) 8.553 4.077 ( -8.425 4.083 1.457) 9.474 4.284 ( 1.420 -1.281 6.392) 6.672 4.365 ( -6.191 2.272 -0.020) 6.595 4.755 ( 0.023 4.839 0.280) 4.847 4.908 ( -4.976 -0.799 -0.754) 5.096 5.092 ( 6.352 4.865 4.732) 9.296 5.184 ( 3.554 3.356 1.928) 5.255 5.371 ( -0.110 -0.401 3.752) 3.775 5.524 ( -0.710 -5.403 -5.739) 7.914 5.605 ( 2.738 1.424 1.292) 3.346 5.673 ( 3.060 -11.715 -5.043) 13.116 5.786 ( 0.740 9.756 4.471) 10.757 5.996 ( -4.000 5.991 4.932) 8.730 7.556 ( 1.731 5.570 -3.240) 6.673 7.680 ( 0.200 6.253 -2.518) 6.744 7.732 ( -1.006 6.792 1.239) 6.977 8.004 ( -6.386 -7.133 -10.002) 13.845 8.647 ( -2.111 2.891 0.681) 3.644 8.815 ( -0.327 2.259 2.432) 3.335 8.977 ( -2.838 2.590 -3.980) 5.532 9.104 ( -0.048 4.657 -3.847) 6.041 9.234 ( 2.419 -0.205 2.654) 3.597 9.269 ( 5.763 2.030 4.822) 7.783 9.572 ( 1.964 1.111 0.063) 2.257 9.697 ( 0.453 -2.486 -3.156) 4.043 10.019 ( -1.332 -2.946 4.657) 5.670 10.063 ( -2.834 6.065 -5.946) 8.954 10.326 ( 0.682 8.054 5.902) 10.008 10.655 ( 3.363 7.099 -4.705) 9.157 11.045 ( -4.579 -1.586 4.193) 6.408 11.179 ( -0.733 -5.499 3.965) 6.819 11.431 ( 3.304 4.782 -0.338) 5.822 11.698 ( 7.877 -4.942 0.694) 9.325 11.751 ( -3.304 0.157 0.191) 3.314 11.927 ( -1.679 0.280 -2.107) 2.709 12.104 ( 4.142 1.397 -2.345) 4.961 12.191 ( -2.158 4.539 -1.620) 5.281 12.338 ( -0.485 2.216 0.503) 2.323 12.554 ( 0.089 3.591 -5.113) 6.249 12.744 ( 3.772 -0.266 0.654) 3.837 12.776 ( 1.913 4.597 9.250) 10.505 13.258 ( -3.458 -4.040 -0.772) 5.374 13.600 ( -0.918 1.202 5.859) 6.051 13.696 ( -4.375 -4.727 -5.227) 8.295 13.927 ( 0.013 -11.920 -3.745) 12.494 14.036 ( 6.814 5.591 5.230) 10.249 14.560 ( -0.091 1.073 -6.499) 6.588 14.885 ( 2.412 -5.821 4.208) 7.577 15.114 ( 0.776 -6.797 6.965) 9.763 15.126 ( -2.404 -9.946 -0.911) 10.273 15.236 ( 1.198 -11.562 5.219) 12.741 15.779 ( -4.582 -3.894 -11.923) 13.353 16.148 ( -1.008 2.592 -5.214) 5.910 16.269 ( 4.580 3.253 7.339) 9.242 16.352 ( -2.550 -4.559 3.843) 6.485 16.899 ( 1.587 -1.251 -0.661) 2.126 17.140 ( 1.616 -3.830 2.191) 4.699 17.214 ( -0.986 -5.312 -2.140) 5.811 17.539 ( -1.375 0.160 0.626) 1.519 19.658 ( -1.712 -8.418 -5.829) 10.381 19.736 ( -3.804 -1.340 -5.308) 6.666 20.641 ( -1.416 15.143 3.806) 15.678 20.735 ( 3.270 13.430 -1.680) 13.924 22.036 ( -1.065 -16.678 5.054) 17.459 22.264 ( 2.848 -12.891 -3.448) 13.645 22.928 ( -2.372 9.037 4.621) 10.424 23.155 ( 2.211 7.306 -2.797) 8.129 27.140 ( 1.779 -16.251 -0.367) 16.352 27.233 ( -4.554 -19.825 3.524) 20.644 28.655 ( 1.021 21.807 -0.988) 21.853 28.976 ( 2.066 18.786 -5.538) 19.694 30.268 ( 6.671 -12.573 1.605) 14.324 30.313 ( -0.377 -3.800 2.678) 4.664 30.364 ( -1.480 -8.621 4.904) 10.028 30.986 ( 2.937 -2.979 -0.368) 4.199 31.109 ( -4.092 -3.468 -0.812) 5.425 31.398 ( 1.802 11.876 -0.035) 12.012 31.537 ( 2.959 9.873 -1.245) 10.382 32.085 ( 14.388 2.832 -19.707) 24.564 32.534 ( 0.864 -14.035 -4.433) 14.744 32.590 ( 0.851 -4.506 -13.276) 14.046 33.043 ( -5.089 3.449 7.983) 10.076 33.232 ( 7.769 1.140 -5.005) 9.312 34.924 ( -2.920 0.497 3.560) 4.631 35.040 ( -0.904 1.325 0.826) 1.804 35.188 ( -1.661 -2.268 1.500) 3.186 35.227 ( -5.166 -2.222 3.853) 6.817 35.339 ( 0.425 -4.678 2.111) 5.149 35.590 ( -4.131 2.068 -2.402) 5.207 36.346 ( -7.899 -2.597 24.131) 25.523 37.889 ( 2.167 21.199 -8.814) 23.060 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -3.392 -7.135 1.124) 7.980 1.860 ( 5.901 -2.392 -6.271) 8.937 1.992 ( -0.997 -5.732 1.893) 6.119 2.008 ( 2.248 -3.199 -0.496) 3.941 2.378 ( 0.651 5.331 -0.324) 5.380 2.427 ( -1.477 0.730 -2.076) 2.650 2.849 ( 9.710 -2.144 -5.438) 11.333 2.888 ( 3.719 2.666 -6.868) 8.253 2.922 ( 1.162 2.132 -1.886) 3.074 3.078 ( 1.755 1.227 1.597) 2.671 3.244 ( -0.269 -4.759 0.153) 4.769 3.383 ( 9.782 1.771 0.514) 9.954 3.442 ( 1.914 -7.565 -1.765) 8.000 3.598 ( -1.702 -3.412 -0.087) 3.814 3.651 ( -8.540 -1.283 -6.723) 10.944 3.812 ( -1.016 2.589 -2.101) 3.485 3.943 ( -5.081 5.290 2.227) 7.665 4.133 ( 8.439 -2.886 10.679) 13.913 4.217 ( -5.543 1.842 -5.072) 7.736 4.397 ( 3.355 -1.415 4.341) 5.666 4.683 ( -1.993 0.655 0.395) 2.135 4.850 ( -6.868 0.517 -2.414) 7.298 5.070 ( 5.838 4.983 3.317) 8.362 5.155 ( 0.677 4.208 3.931) 5.798 5.384 ( -1.616 -0.121 2.777) 3.216 5.546 ( 2.939 4.524 1.425) 5.580 5.577 ( -3.826 -5.450 -2.930) 7.275 5.692 ( 1.107 4.835 0.896) 5.040 5.812 ( -2.192 1.065 0.569) 2.503 5.942 ( -3.592 -5.365 -2.117) 6.795 7.493 ( 4.063 3.486 5.092) 7.388 7.578 ( 5.565 5.102 1.716) 7.743 7.670 ( -1.590 -0.887 -3.344) 3.807 8.009 ( -9.259 -6.070 -10.042) 14.948 8.617 ( 1.610 0.478 1.832) 2.485 8.793 ( -1.781 0.517 -1.168) 2.192 8.880 ( -3.704 2.900 -2.570) 5.361 8.991 ( -0.694 2.508 -5.474) 6.061 9.223 ( 2.675 4.692 1.111) 5.514 9.268 ( 1.762 4.102 3.233) 5.512 9.608 ( 5.733 -0.584 0.057) 5.763 9.758 ( -1.028 -4.712 -1.248) 4.982 9.920 ( 1.106 6.397 -0.308) 6.499 10.079 ( -3.515 -2.311 3.376) 5.394 10.230 ( -0.439 5.252 5.584) 7.678 10.520 ( 1.917 6.956 -5.649) 9.164 11.072 ( -4.406 -2.469 3.829) 6.338 11.227 ( -1.088 -0.534 -1.279) 1.762 11.385 ( 2.391 2.828 3.437) 5.052 11.738 ( -0.352 -1.227 0.905) 1.565 11.863 ( 1.857 -2.352 2.333) 3.798 11.890 ( 0.985 -1.102 -3.595) 3.887 12.061 ( -4.036 1.754 -2.264) 4.949 12.152 ( 2.028 -2.248 -2.774) 4.106 12.286 ( -0.285 2.886 0.382) 2.926 12.442 ( 0.681 5.008 -4.287) 6.628 12.733 ( 1.260 5.250 5.428) 7.656 12.789 ( 3.406 2.395 1.556) 4.445 13.329 ( -3.493 -6.953 -0.474) 7.795 13.653 ( -1.112 -2.968 -2.235) 3.878 13.745 ( 0.905 -6.069 4.627) 7.685 13.928 ( 0.660 5.965 4.076) 7.255 14.130 ( 5.879 -0.300 -3.194) 6.697 14.457 ( -3.590 -0.647 -4.880) 6.093 15.021 ( 4.019 -3.740 5.625) 7.860 15.195 ( 0.318 1.834 3.874) 4.298 15.232 ( -1.342 -4.076 -0.834) 4.372 15.464 ( -0.562 -7.818 3.113) 8.434 15.754 ( -3.965 -3.472 -5.231) 7.425 16.097 ( -1.261 -1.052 -3.554) 3.915 16.298 ( 7.793 3.889 5.417) 10.257 16.455 ( -4.069 -7.529 -0.873) 8.602 16.931 ( 1.815 -1.250 -0.118) 2.207 17.224 ( -1.570 -2.276 -4.742) 5.490 17.255 ( 2.048 -1.914 4.711) 5.482 17.532 ( -2.450 -1.035 0.077) 2.661 19.742 ( -1.038 -7.377 -3.649) 8.295 19.832 ( 0.238 -11.910 -5.930) 13.307 20.395 ( -1.433 13.218 4.063) 13.902 20.519 ( 2.777 12.290 -1.562) 12.696 22.334 ( -1.740 -14.814 3.681) 15.363 22.476 ( 1.691 -10.080 -2.997) 10.651 22.771 ( -2.195 8.750 4.537) 10.098 22.995 ( 1.609 10.375 -3.292) 11.003 27.482 ( 4.155 -19.413 0.735) 19.866 27.576 ( -6.337 -21.470 2.268) 22.500 28.268 ( 2.558 23.340 1.129) 23.507 28.610 ( -0.597 18.152 -8.648) 20.116 30.365 ( -0.410 -3.281 3.459) 4.785 30.398 ( 0.012 -2.668 3.969) 4.783 30.694 ( 6.657 -13.327 3.335) 15.266 31.045 ( 5.038 0.846 -0.450) 5.128 31.119 ( -3.283 -1.527 -0.905) 3.733 31.205 ( 4.601 10.426 0.866) 11.429 31.397 ( -4.691 4.826 0.328) 6.738 31.945 ( 6.729 7.625 -22.573) 24.758 32.638 ( -2.051 -6.262 -3.019) 7.248 32.743 ( 0.694 -12.029 -5.829) 13.385 32.990 ( -2.423 4.401 8.261) 9.669 33.225 ( 5.083 3.652 -2.312) 6.672 34.926 ( -1.269 -0.065 3.929) 4.129 35.017 ( -1.995 1.065 2.720) 3.537 35.221 ( -3.210 -2.272 0.702) 3.994 35.243 ( -5.260 -2.149 4.794) 7.434 35.423 ( -0.738 -2.081 5.812) 6.217 35.529 ( -3.156 0.216 -1.855) 3.667 36.520 ( 3.228 -7.454 12.069) 14.548 37.469 ( 0.238 19.370 -11.741) 22.651 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 9.992 9.983 0.336) 14.128 1.817 ( -4.154 2.835 1.366) 5.211 2.056 ( 2.617 -1.996 3.343) 4.692 2.187 ( -2.356 -6.311 -2.023) 7.034 2.401 ( 3.318 -8.048 0.918) 8.754 2.458 ( -0.175 -8.879 0.963) 8.933 2.777 ( -1.602 8.717 -0.366) 8.871 2.865 ( 5.229 -0.921 -5.189) 7.424 2.943 ( 6.950 2.513 -0.663) 7.420 3.025 ( 6.596 7.913 -2.818) 10.680 3.225 ( 0.622 6.954 -0.058) 6.982 3.324 ( -8.628 3.639 0.011) 9.364 3.476 ( -3.987 5.085 -7.692) 10.045 3.553 ( 2.770 2.197 1.074) 3.695 3.646 ( -3.089 -3.436 2.041) 5.051 3.797 ( -1.850 -2.514 -5.184) 6.052 3.848 ( 3.084 3.427 3.950) 6.070 4.104 ( -4.390 0.204 -8.212) 9.314 4.278 ( 6.755 2.978 8.605) 11.338 4.462 ( 4.228 -1.285 1.375) 4.628 4.684 ( -6.876 -2.680 1.530) 7.537 4.826 ( 1.259 -1.989 -3.942) 4.591 5.056 ( 3.067 3.774 4.456) 6.595 5.135 ( -2.748 -4.095 1.091) 5.051 5.404 ( 0.636 -0.627 3.015) 3.144 5.503 ( -2.414 2.527 0.645) 3.554 5.599 ( -0.357 1.017 -4.612) 4.737 5.625 ( -2.570 1.074 -2.867) 3.997 5.755 ( 0.286 2.819 7.958) 8.447 5.969 ( -6.497 -3.076 -6.188) 9.486 7.536 ( 3.101 0.449 8.128) 8.711 7.627 ( 7.894 -0.341 3.315) 8.568 7.704 ( 2.656 -6.087 -1.582) 6.827 7.969 ( -9.960 -3.762 -8.183) 13.428 8.675 ( 4.074 -3.079 2.681) 5.768 8.780 ( 1.414 -0.677 -0.416) 1.622 8.820 ( -4.919 -1.922 -1.884) 5.607 8.939 ( -2.836 -0.381 -4.976) 5.740 9.163 ( 3.227 4.451 1.390) 5.671 9.209 ( -0.439 3.266 -0.064) 3.296 9.634 ( 1.182 0.767 -0.431) 1.473 9.790 ( -4.666 -3.650 -3.027) 6.652 9.863 ( 6.399 4.990 2.850) 8.600 10.046 ( -4.591 3.160 -0.811) 5.633 10.230 ( 0.115 -0.355 5.137) 5.151 10.401 ( 2.205 3.555 -3.832) 5.673 11.097 ( -4.793 -1.676 3.667) 6.263 11.238 ( 1.884 -2.110 -2.853) 4.017 11.387 ( 3.331 2.527 6.764) 7.952 11.714 ( -1.108 6.075 -0.303) 6.183 11.835 ( -2.370 -2.480 -0.075) 3.431 11.915 ( -2.384 4.579 -0.671) 5.206 12.039 ( -1.549 -4.992 -0.679) 5.270 12.227 ( 0.402 4.420 1.102) 4.573 12.269 ( 4.281 -9.183 -4.400) 11.046 12.366 ( 0.614 1.186 -2.314) 2.672 12.680 ( -0.539 2.930 1.206) 3.214 12.739 ( 1.654 4.148 -0.579) 4.503 13.443 ( -0.949 -7.112 1.630) 7.357 13.624 ( -2.620 0.694 -4.796) 5.508 13.807 ( -2.429 6.431 2.605) 7.352 13.920 ( 5.385 3.559 -0.113) 6.456 14.102 ( 3.204 -3.308 7.937) 9.176 14.522 ( -0.528 -7.328 -5.406) 9.122 15.114 ( -2.014 1.816 5.454) 6.091 15.138 ( 7.144 6.693 2.768) 10.174 15.266 ( -3.014 -3.636 -1.179) 4.868 15.448 ( -5.794 1.537 -5.442) 8.097 15.879 ( 1.890 -8.048 4.159) 9.255 16.060 ( -3.985 1.989 -0.879) 4.540 16.290 ( 7.845 6.722 3.761) 10.995 16.519 ( -3.508 -5.476 -8.454) 10.666 16.971 ( 3.020 -0.447 1.422) 3.368 17.159 ( -2.764 2.475 -5.038) 6.257 17.353 ( 2.666 -1.863 5.678) 6.544 17.531 ( -2.881 -0.991 -0.997) 3.205 19.890 ( 1.904 -9.088 -1.598) 9.422 19.975 ( 0.715 -2.512 -3.452) 4.329 20.262 ( -0.036 -1.099 1.788) 2.099 20.339 ( 0.508 7.569 -1.002) 7.652 22.486 ( -2.497 10.103 4.133) 11.198 22.563 ( -2.069 -10.304 1.647) 10.638 22.739 ( 2.209 0.403 -2.325) 3.232 22.803 ( 0.741 3.625 -3.026) 4.779 27.822 ( -1.404 1.716 1.737) 2.817 27.888 ( 4.440 -5.210 -0.058) 6.845 27.968 ( 0.183 -10.196 3.466) 10.771 28.256 ( -3.341 10.190 -10.158) 14.771 30.440 ( 0.967 -0.944 4.001) 4.223 30.448 ( -2.435 -1.650 3.687) 4.717 30.845 ( 5.620 1.593 -1.676) 6.077 30.933 ( 2.550 10.618 -4.045) 11.645 31.143 ( 3.354 -1.827 3.377) 5.098 31.228 ( 5.229 -3.231 1.285) 6.279 31.310 ( -8.659 -0.439 1.968) 8.890 31.729 ( 3.392 7.003 -15.994) 17.786 32.721 ( -0.376 -4.051 0.391) 4.087 32.872 ( -0.874 -2.308 -3.084) 3.950 32.964 ( 2.095 -0.251 3.864) 4.402 33.149 ( 1.004 5.370 -2.068) 5.841 34.948 ( -0.838 -0.728 3.813) 3.971 35.008 ( -2.064 -0.083 3.308) 3.900 35.232 ( -3.055 -1.087 2.070) 3.847 35.276 ( -4.504 -2.935 2.851) 6.085 35.439 ( -0.939 3.850 6.997) 8.041 35.525 ( -5.077 -3.370 1.505) 6.276 36.790 ( 11.394 -12.192 1.582) 16.762 37.108 ( -4.597 12.014 -9.761) 16.147 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 5.370 12.731 5.117) 14.734 1.765 ( 6.298 4.281 -1.353) 7.735 2.029 ( -0.595 8.722 3.626) 9.465 2.173 ( -4.787 0.587 -0.733) 4.878 2.431 ( -6.989 17.994 -1.223) 19.342 2.647 ( 6.659 -4.464 1.288) 8.120 2.712 ( 5.024 -3.355 1.148) 6.149 2.805 ( 11.989 12.973 -3.439) 17.996 2.909 ( 2.442 1.917 -0.788) 3.203 2.991 ( 5.243 -4.464 -0.760) 6.928 3.058 ( -3.216 3.447 -3.091) 5.637 3.226 ( 1.839 5.617 -6.774) 8.990 3.397 ( 1.286 -1.523 3.832) 4.320 3.498 ( -3.584 0.053 -1.473) 3.875 3.698 ( -4.390 -3.525 3.745) 6.762 3.786 ( -3.809 -3.159 -2.133) 5.389 3.957 ( 8.253 -4.232 1.809) 9.450 4.017 ( -1.993 0.940 -10.055) 10.294 4.291 ( 3.425 3.093 8.688) 9.838 4.512 ( 3.807 0.135 -0.762) 3.885 4.691 ( -9.095 -3.957 1.674) 10.059 4.819 ( 0.006 1.584 -2.970) 3.366 5.076 ( 0.225 -2.957 3.725) 4.761 5.219 ( -3.986 -4.322 -2.853) 6.535 5.372 ( -4.297 5.408 -0.217) 6.910 5.445 ( 5.586 2.318 2.158) 6.422 5.543 ( -1.608 2.169 -3.484) 4.408 5.577 ( 2.600 2.146 0.104) 3.373 5.797 ( -1.236 -1.637 5.747) 6.102 5.917 ( -5.037 -1.117 -4.163) 6.629 7.594 ( 1.069 -0.464 5.253) 5.381 7.668 ( -1.161 -2.406 -1.847) 3.248 7.887 ( 8.619 -4.225 4.639) 10.661 7.914 ( -7.482 -2.992 -4.646) 9.301 8.776 ( -1.340 -0.534 2.050) 2.507 8.841 ( 1.223 -6.865 0.516) 6.992 8.857 ( 3.144 -3.507 2.062) 5.142 8.907 ( -3.017 -1.951 -4.246) 5.562 9.136 ( 2.816 2.206 2.322) 4.265 9.174 ( 1.728 0.247 -1.828) 2.528 9.649 ( 1.164 -1.901 0.755) 2.354 9.759 ( -0.487 2.271 -4.949) 5.467 9.895 ( 2.391 -2.514 2.686) 4.387 9.917 ( -4.913 3.254 -3.924) 7.080 10.253 ( -3.801 -2.297 3.526) 5.670 10.414 ( 5.172 -2.223 -1.978) 5.967 11.093 ( -4.607 0.460 3.512) 5.811 11.266 ( 3.226 0.231 -1.862) 3.732 11.433 ( 1.321 0.081 5.028) 5.199 11.546 ( 0.798 9.649 -1.499) 9.797 11.780 ( -3.971 4.770 -1.073) 6.298 11.903 ( 1.568 -5.141 -1.392) 5.552 12.110 ( 0.238 -1.748 2.158) 2.787 12.165 ( -0.537 3.006 3.079) 4.337 12.377 ( -0.155 -5.913 -2.714) 6.508 12.463 ( 4.226 -7.266 -1.259) 8.499 12.634 ( -2.786 0.503 -2.007) 3.470 12.709 ( 1.660 -0.960 -2.495) 3.147 13.530 ( -2.633 1.004 0.426) 2.850 13.592 ( 3.835 -1.642 1.416) 4.406 13.663 ( -3.451 6.999 1.541) 7.954 13.811 ( 0.064 5.377 -4.532) 7.032 14.342 ( 7.185 -7.597 11.331) 15.419 14.558 ( -2.234 -0.342 -5.090) 5.569 14.994 ( -6.932 7.029 0.363) 9.878 15.078 ( 4.471 4.613 -0.715) 6.464 15.284 ( -3.125 2.406 -0.243) 3.952 15.401 ( 0.328 -0.612 -3.095) 3.172 15.897 ( -2.484 5.064 5.381) 7.796 16.085 ( -0.431 -4.568 -3.032) 5.500 16.245 ( 6.890 6.460 7.172) 11.860 16.488 ( -4.995 -1.304 -12.438) 13.467 16.998 ( 3.280 1.415 2.328) 4.263 17.067 ( -2.184 2.286 -4.560) 5.549 17.402 ( 1.694 1.893 4.905) 5.524 17.498 ( -2.429 1.775 -2.029) 3.629 19.905 ( -0.387 5.674 1.303) 5.834 19.965 ( 3.082 3.685 -2.502) 5.417 20.338 ( -2.090 -9.626 1.979) 10.047 20.438 ( 1.989 -14.044 -2.886) 14.475 22.252 ( -2.775 15.773 5.581) 16.959 22.489 ( 3.671 14.492 -4.889) 15.729 22.758 ( -4.648 -8.836 3.109) 10.457 22.936 ( 3.215 -9.320 -3.495) 10.460 27.509 ( 1.218 21.161 4.655) 21.701 27.690 ( -4.829 19.320 -9.663) 22.135 28.359 ( -2.297 -23.564 0.560) 23.683 28.432 ( 5.789 -22.461 0.354) 23.198 30.395 ( -2.291 4.850 2.189) 5.794 30.467 ( -1.719 2.484 1.733) 3.482 30.670 ( -5.031 11.165 -1.962) 12.403 30.925 ( 14.029 -1.050 -3.357) 14.463 31.217 ( 1.398 0.743 3.559) 3.896 31.260 ( -4.974 -1.004 0.730) 5.126 31.306 ( -2.602 -4.134 -0.630) 4.925 31.646 ( 15.417 1.671 -9.883) 18.389 32.728 ( 1.811 6.862 3.837) 8.068 32.804 ( 0.895 7.123 -0.848) 7.229 32.996 ( -0.640 -0.308 0.937) 1.176 33.124 ( 1.500 -5.477 -6.804) 8.863 34.979 ( -0.896 -1.270 3.328) 3.673 35.023 ( -1.694 -1.126 2.861) 3.510 35.226 ( -5.126 0.172 2.899) 5.891 35.305 ( -3.059 -1.374 2.436) 4.145 35.391 ( -1.462 3.573 7.186) 8.157 35.542 ( -2.843 -0.628 -0.141) 2.915 36.841 ( -15.807 3.205 -1.730) 16.222 37.172 ( 16.795 -16.805 -3.497) 24.015 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 14.536 0.000 -12.161) 18.952 1.765 ( 7.374 0.000 3.163) 8.024 1.821 ( 7.549 0.000 5.601) 9.400 2.028 ( 6.634 0.000 -5.191) 8.423 2.300 ( -1.153 -0.000 1.782) 2.122 2.508 ( -3.367 -0.000 -1.694) 3.769 2.671 ( 14.329 0.000 -10.160) 17.566 2.699 ( 6.113 0.000 0.404) 6.127 2.775 ( -7.984 -0.000 -8.215) 11.456 2.870 ( -6.643 -0.000 -6.778) 9.490 3.093 ( 4.161 0.000 -8.496) 9.460 3.357 ( -0.130 -0.000 -5.953) 5.955 3.446 ( -3.101 -0.000 -3.378) 4.586 3.499 ( -2.778 -0.000 5.796) 6.427 3.768 ( 0.772 0.000 1.204) 1.431 3.780 ( 1.574 0.000 2.435) 2.900 3.995 ( 5.964 0.000 9.600) 11.302 4.102 ( -13.850 -0.000 5.337) 14.843 4.261 ( -1.812 -0.000 13.097) 13.221 4.435 ( -2.228 -0.000 0.625) 2.315 4.801 ( 6.600 0.000 -0.998) 6.675 5.055 ( -1.441 -0.000 -0.226) 1.458 5.190 ( -1.075 -0.000 0.824) 1.354 5.258 ( 4.193 0.000 -4.013) 5.804 5.260 ( 1.519 0.000 -0.557) 1.618 5.320 ( 6.835 0.000 -1.232) 6.945 5.481 ( 0.640 0.000 5.932) 5.967 5.639 ( 2.533 0.000 -2.279) 3.408 6.072 ( -4.095 -0.000 7.307) 8.376 6.117 ( 0.540 0.000 2.068) 2.138 7.641 ( -0.882 -0.000 -9.197) 9.239 7.797 ( -4.401 -0.000 -13.233) 13.946 7.882 ( -0.229 -0.000 1.404) 1.423 7.938 ( -0.706 -0.000 1.453) 1.616 8.710 ( 1.349 0.000 2.008) 2.419 8.961 ( 0.515 0.000 0.872) 1.013 9.040 ( -0.319 -0.000 -0.859) 0.917 9.101 ( 2.463 0.000 0.584) 2.531 9.196 ( -0.059 -0.000 4.969) 4.970 9.278 ( 3.041 0.000 -2.945) 4.233 9.635 ( 3.380 0.000 1.972) 3.913 9.677 ( -2.400 -0.000 -5.654) 6.143 9.969 ( -4.800 -0.000 2.047) 5.218 10.140 ( -6.368 -0.000 -7.209) 9.619 10.540 ( -0.094 -0.000 3.291) 3.293 10.775 ( 0.859 0.000 -2.094) 2.263 11.035 ( 6.160 0.000 0.834) 6.216 11.071 ( -5.564 -0.000 8.871) 10.471 11.530 ( 7.040 0.000 0.042) 7.041 11.570 ( 6.413 0.000 3.290) 7.207 11.790 ( -7.204 -0.000 -0.899) 7.260 11.935 ( -5.189 -0.000 2.237) 5.650 12.190 ( 12.455 0.000 3.911) 13.055 12.258 ( 0.434 0.000 -5.396) 5.414 12.436 ( -4.154 -0.000 1.134) 4.306 12.516 ( 4.637 0.000 -6.940) 8.347 12.849 ( 3.276 0.000 9.203) 9.768 12.918 ( -0.380 -0.000 -5.516) 5.529 13.262 ( -1.167 -0.000 -1.471) 1.878 13.476 ( -6.817 -0.000 -6.530) 9.440 13.638 ( -0.367 -0.000 4.362) 4.377 13.710 ( 0.501 0.000 3.586) 3.621 14.197 ( 8.903 0.000 8.676) 12.431 14.425 ( -0.230 -0.000 -2.321) 2.333 14.429 ( 1.676 0.000 0.950) 1.927 14.841 ( -1.786 -0.000 -3.923) 4.310 15.000 ( 1.301 0.000 8.341) 8.442 15.092 ( 3.209 0.000 -0.560) 3.258 15.673 ( -5.506 -0.000 -14.907) 15.891 16.143 ( -3.371 -0.000 -6.906) 7.685 16.370 ( 2.647 0.000 6.348) 6.878 16.435 ( 2.704 0.000 4.439) 5.197 16.894 ( 0.280 0.000 0.189) 0.338 17.003 ( -1.029 -0.000 -0.681) 1.234 17.066 ( 3.356 0.000 3.493) 4.844 17.543 ( -1.473 -0.000 -0.002) 1.473 19.493 ( -2.533 -0.000 -5.574) 6.122 19.780 ( -6.454 -0.000 -5.986) 8.803 21.053 ( 1.359 0.000 -0.570) 1.474 21.059 ( -0.657 -0.000 1.792) 1.909 21.603 ( -0.435 -0.000 6.729) 6.743 21.933 ( 3.024 0.000 -3.569) 4.678 23.124 ( -1.353 -0.000 2.941) 3.237 23.288 ( 1.806 0.000 -2.637) 3.196 26.809 ( 0.658 0.000 0.896) 1.111 26.812 ( 0.681 0.000 0.611) 0.915 29.276 ( -0.189 -0.000 -2.108) 2.117 29.376 ( 0.288 0.000 -1.694) 1.718 29.696 ( 6.573 0.000 4.387) 7.903 30.272 ( -0.187 -0.000 1.543) 1.554 30.282 ( 1.456 0.000 2.963) 3.301 30.873 ( 1.872 0.000 -4.557) 4.926 31.031 ( -1.124 -0.000 0.384) 1.188 31.676 ( 4.268 0.000 0.507) 4.298 31.945 ( 0.567 0.000 -1.953) 2.034 32.006 ( 2.680 0.000 -2.032) 3.363 32.125 ( 3.390 0.000 -4.552) 5.676 32.507 ( 20.878 0.000 -41.552) 46.502 33.100 ( -7.721 -0.000 7.238) 10.583 33.247 ( 8.196 0.000 -8.191) 11.588 34.944 ( -3.409 -0.000 4.452) 5.607 35.099 ( -0.737 -0.000 -2.078) 2.205 35.111 ( -1.197 -0.000 -3.765) 3.951 35.180 ( 0.370 0.000 4.907) 4.921 35.208 ( 1.118 0.000 2.716) 2.938 35.641 ( -8.652 -0.000 -1.638) 8.805 36.349 ( -14.360 -0.000 38.907) 41.472 38.346 ( -2.276 -0.000 -5.501) 5.954 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 6.193 -9.040 -5.975) 12.481 1.710 ( -7.400 7.357 6.656) 12.377 1.917 ( 3.641 1.518 -6.991) 8.027 2.033 ( 9.285 -4.325 -6.654) 12.215 2.279 ( 1.313 -2.954 1.990) 3.796 2.605 ( 0.627 -9.459 -3.143) 9.987 2.654 ( -1.367 0.558 -3.728) 4.010 2.721 ( 3.006 0.608 -6.277) 6.986 2.836 ( -0.539 -8.682 -7.937) 11.776 2.924 ( 6.578 -11.548 -1.476) 13.372 3.061 ( 2.691 1.049 -2.897) 4.091 3.314 ( -0.082 -0.292 -1.735) 1.761 3.397 ( 0.150 4.115 -3.472) 5.386 3.498 ( -4.757 -1.294 0.003) 4.930 3.697 ( 5.358 6.314 2.916) 8.779 3.878 ( -1.126 -2.643 1.221) 3.122 4.014 ( -6.220 1.464 6.876) 9.387 4.122 ( 3.204 0.026 10.056) 10.554 4.318 ( -0.736 -0.294 10.333) 10.363 4.370 ( -5.078 3.344 -2.349) 6.518 4.832 ( 3.292 0.759 -1.653) 3.761 4.919 ( -4.350 6.925 -3.203) 8.783 5.202 ( -1.253 -1.590 3.310) 3.880 5.241 ( 3.923 2.795 0.566) 4.850 5.354 ( 4.068 -5.628 -4.056) 8.042 5.447 ( 2.555 -5.937 2.555) 6.950 5.485 ( -1.480 0.735 0.484) 1.722 5.638 ( 1.276 -0.257 -1.104) 1.707 5.996 ( -1.444 8.226 5.671) 10.095 6.092 ( -2.326 4.619 3.168) 6.065 7.570 ( -0.641 0.636 -9.708) 9.750 7.692 ( -5.319 -1.786 -13.953) 15.039 7.858 ( -2.435 2.425 1.680) 3.825 7.890 ( 1.291 6.182 1.521) 6.496 8.712 ( 3.505 3.039 2.622) 5.329 8.909 ( -1.154 6.446 1.976) 6.840 8.980 ( -1.628 2.071 -3.673) 4.520 9.117 ( -0.942 0.709 -6.590) 6.694 9.258 ( 2.956 -1.852 6.604) 7.469 9.339 ( 4.901 -1.110 5.533) 7.475 9.602 ( -3.448 0.213 -3.747) 5.096 9.666 ( 3.952 -0.111 0.306) 3.966 9.966 ( -3.229 -2.607 1.066) 4.285 10.032 ( -8.179 0.374 -8.104) 11.520 10.496 ( 0.373 6.175 2.905) 6.835 10.736 ( -0.005 3.645 -4.014) 5.422 11.047 ( -3.613 1.935 6.239) 7.465 11.129 ( 3.578 -3.087 5.210) 7.034 11.528 ( 1.546 4.420 -1.267) 4.851 11.665 ( 4.776 -4.323 -0.306) 6.449 11.746 ( -2.979 0.249 0.570) 3.043 11.888 ( -3.249 0.099 -3.261) 4.604 12.193 ( 3.662 5.007 -0.697) 6.242 12.284 ( 4.067 3.915 4.292) 7.091 12.400 ( 2.504 3.345 0.241) 4.185 12.532 ( -1.069 -2.185 -2.460) 3.460 12.817 ( 4.310 5.070 -2.826) 7.230 12.903 ( 2.916 2.003 6.732) 7.605 13.217 ( -1.832 1.124 0.322) 2.174 13.505 ( -5.335 -7.882 -5.075) 10.786 13.672 ( 0.082 1.730 3.399) 3.815 13.748 ( 0.022 -5.807 3.313) 6.685 14.219 ( 6.436 6.100 5.817) 10.605 14.466 ( 0.515 -7.095 -2.884) 7.676 14.731 ( 5.378 -16.728 2.040) 17.689 14.884 ( -3.503 -9.257 -1.354) 9.989 15.097 ( 1.510 -1.052 2.030) 2.740 15.137 ( 5.018 -5.662 10.814) 13.198 15.598 ( -4.282 -4.538 -13.777) 15.124 16.075 ( -4.377 -1.269 -9.278) 10.337 16.377 ( 0.667 4.296 5.344) 6.889 16.427 ( 3.175 4.012 4.932) 7.107 16.895 ( 0.960 -0.274 0.580) 1.155 17.051 ( -0.748 -5.055 -2.195) 5.562 17.156 ( 3.618 -3.470 5.007) 7.085 17.519 ( -3.646 -0.160 -1.503) 3.947 19.496 ( 0.010 -4.791 -5.207) 7.076 19.672 ( -5.876 1.228 -7.517) 9.620 20.903 ( -1.965 13.062 2.813) 13.505 20.972 ( 2.525 10.561 -1.338) 10.941 21.784 ( -0.514 -13.711 6.293) 15.095 22.045 ( 1.991 -10.945 -3.535) 11.673 23.071 ( -2.043 6.049 3.322) 7.197 23.249 ( 1.367 3.753 -3.379) 5.232 26.915 ( 1.832 -10.359 0.638) 10.539 26.930 ( -1.625 -11.920 1.479) 12.121 29.036 ( 2.372 19.542 0.731) 19.699 29.253 ( -0.354 13.213 -4.129) 13.848 30.016 ( 6.532 -19.623 7.996) 22.174 30.289 ( 0.104 -0.906 2.101) 2.291 30.331 ( 1.731 -1.472 4.192) 4.769 30.913 ( 1.893 -4.841 -3.287) 6.150 31.044 ( -0.492 -1.561 0.486) 1.707 31.600 ( 0.734 9.334 -0.095) 9.363 31.756 ( 2.802 12.283 -2.175) 12.785 32.076 ( 6.669 -1.486 -16.491) 17.850 32.276 ( 1.663 -13.020 -3.442) 13.570 32.427 ( 5.911 -3.706 -29.410) 30.226 33.073 ( -6.849 0.768 6.949) 9.787 33.275 ( 9.921 0.003 -7.079) 12.188 34.947 ( -0.948 0.722 4.991) 5.131 35.057 ( -0.312 1.182 -1.103) 1.647 35.125 ( -1.932 -2.611 -0.389) 3.271 35.197 ( -4.011 0.085 5.308) 6.654 35.283 ( 4.331 -4.325 0.580) 6.149 35.546 ( -8.643 0.664 -3.168) 9.229 36.478 ( -5.834 2.208 39.618) 40.106 38.140 ( -4.963 13.327 -11.962) 18.583 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -7.193 -3.684 2.794) 8.551 1.709 ( -5.547 -10.104 1.415) 11.613 1.890 ( 3.756 -1.147 -8.301) 9.183 2.066 ( 5.093 0.244 -5.044) 7.172 2.423 ( 0.043 -0.980 -0.547) 1.123 2.507 ( 1.864 7.607 -5.007) 9.296 2.767 ( 4.791 -11.511 -2.622) 12.741 2.874 ( -5.521 -9.408 -3.223) 11.374 2.956 ( 0.462 3.362 -0.009) 3.394 2.983 ( 10.449 -8.780 0.942) 13.680 3.237 ( 0.979 1.764 -5.738) 6.082 3.259 ( 0.400 -8.183 -1.474) 8.324 3.390 ( -3.116 -7.074 -0.030) 7.730 3.489 ( -0.227 -2.714 -6.046) 6.631 3.650 ( 7.231 5.877 2.715) 9.706 3.849 ( -3.436 3.350 -1.735) 5.103 3.978 ( -5.697 1.436 5.604) 8.120 4.214 ( 4.089 1.627 8.060) 9.183 4.219 ( -2.066 3.631 -0.759) 4.246 4.409 ( 1.874 -3.373 5.492) 6.712 4.742 ( -1.397 5.784 0.412) 5.965 4.812 ( -4.552 2.677 -2.910) 6.029 5.199 ( 2.352 3.869 2.680) 5.261 5.276 ( 4.671 -0.089 2.179) 5.155 5.394 ( -6.125 -0.369 -3.176) 6.909 5.429 ( 0.196 -0.593 1.416) 1.548 5.592 ( -4.146 -6.404 -5.468) 9.387 5.662 ( 1.854 -0.559 0.643) 2.041 5.879 ( 3.522 7.582 7.026) 10.920 5.974 ( -4.438 6.809 3.621) 8.897 7.525 ( -0.340 -2.046 -6.433) 6.760 7.630 ( -1.501 -0.596 -7.396) 7.570 7.774 ( -0.382 6.507 0.206) 6.521 7.813 ( -0.802 1.303 0.193) 1.542 8.692 ( 4.308 3.795 1.996) 6.078 8.797 ( -2.657 3.965 -1.270) 4.939 8.906 ( -2.229 2.891 -1.332) 3.886 9.012 ( -1.539 4.252 -6.714) 8.095 9.304 ( -0.397 1.620 3.264) 3.665 9.368 ( 3.426 4.318 2.762) 6.166 9.617 ( -1.450 -4.359 -0.401) 4.612 9.723 ( 7.386 0.824 -1.333) 7.550 9.964 ( -0.569 -1.834 -1.013) 2.171 10.009 ( -4.974 -3.639 1.252) 6.289 10.373 ( -2.485 8.325 4.736) 9.895 10.616 ( 0.181 6.284 -5.319) 8.234 11.037 ( -2.623 -0.273 4.978) 5.633 11.212 ( 0.331 -0.581 1.459) 1.605 11.443 ( -0.606 1.685 1.027) 2.064 11.721 ( -1.792 -0.128 1.077) 2.094 11.793 ( 5.004 -6.289 -3.375) 8.717 11.850 ( -2.291 0.402 -5.599) 6.062 12.111 ( -2.606 5.430 3.766) 7.103 12.228 ( 3.590 6.760 0.751) 7.691 12.343 ( 0.854 3.219 1.021) 3.484 12.485 ( -1.215 2.831 -4.844) 5.740 12.836 ( 4.564 0.387 1.919) 4.966 12.889 ( 2.161 4.703 4.065) 6.581 13.236 ( 0.359 -2.882 2.663) 3.940 13.546 ( -4.316 -2.668 -6.615) 8.337 13.694 ( 1.382 -4.564 8.326) 9.595 13.910 ( -1.404 -8.803 -0.074) 8.914 14.195 ( 6.370 4.519 3.391) 8.514 14.461 ( -1.628 4.781 -7.627) 9.148 14.968 ( 1.292 -8.600 4.047) 9.592 15.053 ( -2.612 -8.656 -1.037) 9.101 15.213 ( 1.549 -8.641 3.790) 9.562 15.382 ( 5.705 -5.487 7.354) 10.805 15.610 ( -1.875 -6.507 -5.255) 8.572 16.016 ( -4.054 -1.823 -10.007) 10.950 16.359 ( -1.613 -0.509 5.238) 5.504 16.432 ( 6.293 2.019 3.902) 7.675 16.922 ( 1.193 -1.310 0.983) 2.026 17.118 ( -0.530 -4.829 -5.280) 7.175 17.265 ( 2.786 -2.333 5.884) 6.915 17.485 ( -4.368 -0.928 -2.163) 4.962 19.593 ( 0.833 -7.023 -5.051) 8.691 19.623 ( -1.157 -5.948 -5.852) 8.424 20.651 ( -2.544 14.508 3.354) 15.106 20.763 ( 2.681 13.426 -1.654) 13.791 22.078 ( -1.060 -15.317 5.220) 16.217 22.259 ( 1.633 -13.020 -3.372) 13.548 22.939 ( -2.720 8.642 4.419) 10.080 23.142 ( 1.333 7.187 -3.957) 8.312 27.184 ( -4.006 -17.611 1.324) 18.109 27.201 ( 5.231 -17.678 0.907) 18.458 28.695 ( 2.726 21.682 1.914) 21.936 28.904 ( -2.077 20.312 -6.786) 21.516 30.325 ( -1.192 -3.302 2.796) 4.488 30.370 ( 2.311 -3.730 1.557) 4.656 30.500 ( 5.211 -16.223 12.305) 21.018 30.999 ( -1.713 -5.561 -2.665) 6.400 31.085 ( 2.461 -1.592 1.793) 3.436 31.423 ( 1.133 10.144 0.212) 10.210 31.535 ( -0.048 12.424 -3.231) 12.837 31.943 ( 5.331 4.135 -32.953) 33.637 32.455 ( -3.896 -9.628 -4.071) 11.156 32.510 ( 2.799 -12.152 -4.936) 13.412 33.051 ( -4.875 1.120 6.951) 8.563 33.303 ( 8.454 1.598 -4.995) 9.949 34.957 ( 0.059 0.943 4.704) 4.798 35.036 ( -0.707 0.955 0.765) 1.413 35.163 ( -1.355 -2.380 1.894) 3.330 35.184 ( -8.216 -1.153 5.274) 9.831 35.397 ( 3.240 -3.455 1.537) 4.979 35.482 ( -2.978 -1.496 -4.328) 5.463 36.609 ( 0.056 2.546 31.068) 31.172 37.729 ( -3.436 18.685 -16.445) 25.127 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.242 -8.367 1.075) 11.118 1.888 ( 0.724 -8.769 -0.422) 8.809 1.970 ( 3.960 -10.506 -4.175) 11.979 2.089 ( 3.955 -1.147 -0.818) 4.198 2.352 ( -3.269 1.439 -0.612) 3.623 2.394 ( 0.882 3.692 -1.213) 3.985 2.861 ( -0.375 3.004 -1.898) 3.574 2.888 ( 1.529 -0.256 -3.375) 3.714 2.985 ( 4.074 -2.686 -1.279) 5.044 3.075 ( -2.710 2.682 -4.497) 5.896 3.246 ( -3.865 -6.631 2.160) 7.974 3.333 ( -1.036 0.903 -0.538) 1.476 3.460 ( -2.729 -2.677 -1.315) 4.043 3.583 ( 6.464 -2.695 -3.811) 7.973 3.638 ( 3.631 2.251 3.528) 5.541 3.729 ( -4.341 1.816 -6.050) 7.665 3.952 ( 1.755 2.238 4.668) 5.466 4.099 ( 1.821 3.580 -3.894) 5.594 4.339 ( 1.803 -3.232 6.877) 7.810 4.496 ( 3.640 -0.153 -0.283) 3.654 4.658 ( -4.500 3.618 1.999) 6.110 4.755 ( 0.540 -3.066 0.263) 3.124 5.139 ( -1.811 4.567 1.281) 5.077 5.234 ( 4.107 7.212 1.765) 8.485 5.401 ( -0.377 -1.640 3.189) 3.606 5.467 ( -4.957 -5.335 -1.434) 7.422 5.526 ( -5.261 3.349 -3.398) 7.102 5.652 ( -0.717 1.222 -4.248) 4.478 5.864 ( -4.783 2.971 3.526) 6.644 5.888 ( 5.240 1.973 6.141) 8.310 7.554 ( -6.315 -3.532 -4.258) 8.395 7.605 ( 2.984 0.160 1.171) 3.210 7.725 ( -0.342 -2.930 -2.202) 3.681 7.810 ( 5.124 -0.070 0.221) 5.129 8.681 ( 0.705 0.509 1.133) 1.428 8.736 ( 0.809 0.280 -2.507) 2.649 8.836 ( -0.730 2.339 0.193) 2.458 8.912 ( -0.436 2.373 -4.509) 5.114 9.252 ( -2.902 3.590 1.358) 4.812 9.293 ( 2.928 6.875 0.102) 7.473 9.676 ( -1.297 -3.155 -0.744) 3.492 9.698 ( -0.089 2.397 -2.441) 3.423 10.003 ( -1.279 0.906 1.964) 2.513 10.032 ( 1.933 1.093 1.568) 2.718 10.271 ( -3.103 2.565 5.310) 6.663 10.481 ( 1.765 5.861 -4.662) 7.694 11.059 ( -2.623 -0.965 4.134) 4.991 11.206 ( 1.840 -1.089 -2.130) 3.018 11.482 ( 1.010 -0.136 7.943) 8.009 11.726 ( -3.565 0.427 -4.425) 5.698 11.770 ( -3.072 -0.975 -0.171) 3.227 11.934 ( 3.874 -6.459 -3.945) 8.502 11.999 ( -5.353 4.957 3.055) 7.909 12.174 ( 4.345 0.165 -2.450) 4.991 12.306 ( 0.851 3.254 1.763) 3.798 12.405 ( 0.133 3.093 -3.263) 4.498 12.780 ( -0.306 6.534 1.356) 6.680 12.849 ( 2.888 5.514 0.221) 6.228 13.347 ( 2.523 -5.839 5.273) 8.262 13.517 ( -3.563 -3.229 -6.663) 8.217 13.884 ( 0.865 -3.764 6.035) 7.165 13.977 ( -1.017 -2.811 2.900) 4.165 14.153 ( -1.111 6.461 -1.283) 6.681 14.351 ( 2.357 -2.955 -6.861) 7.834 15.098 ( -5.268 -4.283 3.288) 7.544 15.178 ( 3.501 -5.688 3.315) 7.456 15.331 ( 1.832 0.105 0.875) 2.033 15.401 ( -0.380 4.485 -3.025) 5.423 15.760 ( 1.664 -9.119 6.023) 11.054 15.989 ( -3.930 -3.682 -8.021) 9.662 16.373 ( -4.632 -0.629 0.416) 4.693 16.489 ( 10.145 2.027 2.114) 10.559 16.980 ( 2.648 -2.321 3.201) 4.758 17.128 ( -1.249 -0.592 -7.285) 7.415 17.361 ( 2.354 -2.740 6.480) 7.419 17.465 ( -4.346 -1.947 -2.594) 5.423 19.704 ( 0.340 -9.961 -1.859) 10.139 19.795 ( 3.802 -11.896 -5.846) 13.789 20.408 ( -2.541 12.268 3.670) 13.055 20.533 ( 1.640 12.916 -2.033) 13.177 22.342 ( -2.682 -12.921 3.567) 13.670 22.475 ( 2.121 -10.660 -2.371) 11.125 22.790 ( -1.742 8.438 4.733) 9.831 22.973 ( 1.315 10.306 -4.218) 11.213 27.492 ( -5.091 -20.495 0.385) 21.121 27.613 ( 10.566 -20.226 1.580) 22.874 28.334 ( 2.125 22.524 3.254) 22.857 28.467 ( -4.710 20.305 -8.267) 22.424 30.393 ( -1.077 -3.526 2.624) 4.525 30.438 ( 0.320 -2.439 2.404) 3.439 30.828 ( 1.167 -7.774 6.697) 10.327 31.046 ( -0.751 -1.344 -3.027) 3.396 31.129 ( 1.733 -0.529 1.224) 2.187 31.274 ( 0.560 7.694 -6.362) 9.999 31.332 ( -0.322 5.070 4.597) 6.852 31.735 ( 2.633 3.133 -22.768) 23.133 32.588 ( -2.277 -9.003 0.067) 9.287 32.707 ( 2.374 -10.069 -4.801) 11.405 33.034 ( -2.984 1.601 6.666) 7.477 33.267 ( 4.477 5.834 -3.510) 8.148 34.964 ( -0.611 0.658 3.900) 4.002 35.017 ( -1.719 0.969 2.381) 3.092 35.191 ( -5.778 -2.979 2.978) 7.151 35.206 ( -2.111 -1.924 4.697) 5.498 35.439 ( -3.100 -2.395 -1.887) 4.348 35.510 ( 1.493 -0.323 4.348) 4.609 36.757 ( 5.722 -2.893 15.905) 17.149 37.288 ( -2.126 17.618 -16.256) 24.066 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.162 -1.788 -3.844) 4.759 1.931 ( 4.596 3.339 -0.334) 5.691 2.067 ( -5.636 1.529 -3.241) 6.679 2.164 ( 3.252 -3.566 3.525) 5.976 2.416 ( -4.540 -5.739 -0.435) 7.331 2.501 ( 5.855 -13.828 1.206) 15.064 2.747 ( -4.255 6.826 -1.679) 8.217 2.920 ( 1.046 -2.890 -4.492) 5.443 2.946 ( 2.646 -0.568 -5.758) 6.362 3.061 ( 3.955 3.164 -5.105) 7.191 3.147 ( -0.687 7.593 -0.471) 7.639 3.330 ( 2.432 5.205 5.536) 7.978 3.447 ( 0.640 2.033 3.250) 3.886 3.519 ( -0.570 5.136 -4.814) 7.062 3.652 ( -2.107 -0.434 2.891) 3.604 3.700 ( -1.085 -1.955 -1.735) 2.830 3.974 ( 4.036 2.142 -2.587) 5.250 4.073 ( 8.601 1.957 0.975) 8.875 4.396 ( 0.078 1.666 3.299) 3.696 4.462 ( -5.696 -2.544 -5.906) 8.591 4.636 ( 1.534 0.682 5.364) 5.620 4.826 ( 1.730 -0.270 -2.292) 2.884 5.071 ( -3.966 -1.268 0.765) 4.234 5.178 ( 2.983 3.689 3.124) 5.681 5.385 ( -5.920 1.733 -1.014) 6.251 5.467 ( -3.566 -0.582 0.538) 3.653 5.522 ( 0.954 -3.323 2.171) 4.082 5.605 ( 0.768 0.835 -2.798) 3.019 5.841 ( -3.380 -1.452 2.210) 4.291 5.898 ( 4.943 5.045 4.758) 8.516 7.511 ( -9.224 -2.795 -2.473) 9.951 7.667 ( 3.838 -1.775 1.081) 4.364 7.726 ( -8.681 -4.068 -6.897) 11.810 7.963 ( 14.062 -3.221 6.423) 15.791 8.701 ( -2.702 -3.135 -2.178) 4.677 8.754 ( -0.485 -2.918 0.176) 2.964 8.852 ( 2.273 -0.823 -0.267) 2.432 8.878 ( 3.762 -1.075 1.311) 4.127 9.169 ( -1.976 2.342 -2.478) 3.941 9.207 ( 0.247 3.468 0.017) 3.477 9.666 ( -0.525 -0.940 2.121) 2.378 9.696 ( -0.330 -0.222 -0.604) 0.724 9.929 ( -4.851 4.379 -5.743) 8.700 10.011 ( 5.555 3.997 5.211) 8.602 10.231 ( -4.875 1.999 1.484) 5.474 10.429 ( 4.656 0.392 -2.278) 5.198 11.072 ( -3.433 -0.881 4.039) 5.374 11.262 ( 4.021 -2.262 -1.752) 4.935 11.480 ( -5.072 3.558 2.562) 6.705 11.653 ( 2.312 0.522 -0.723) 2.478 11.796 ( -3.312 1.178 1.285) 3.742 11.887 ( -0.991 2.440 0.084) 2.635 12.071 ( 2.389 -5.976 3.346) 7.254 12.229 ( 0.631 2.463 -2.284) 3.418 12.299 ( 3.809 -4.887 -2.025) 6.518 12.347 ( 0.771 -0.719 -2.439) 2.656 12.667 ( -1.770 5.363 0.361) 5.659 12.753 ( 1.006 4.816 -1.358) 5.104 13.499 ( 1.287 -2.550 1.472) 3.213 13.540 ( 0.219 -5.172 0.438) 5.195 13.804 ( -1.804 7.256 1.846) 7.701 13.925 ( 0.278 8.360 -3.650) 9.126 14.229 ( -3.921 -12.711 4.060) 13.908 14.433 ( 2.425 -4.568 -5.135) 7.288 15.067 ( -5.985 4.994 1.482) 7.935 15.245 ( -5.929 -0.823 -2.853) 6.631 15.283 ( 6.022 9.020 2.892) 11.225 15.368 ( 4.850 -3.243 2.289) 6.267 15.943 ( -2.482 -2.051 2.007) 3.794 15.989 ( -0.151 -5.898 0.750) 5.947 16.316 ( -6.106 -0.084 -5.945) 8.523 16.498 ( 9.393 6.429 1.032) 11.429 17.055 ( 2.537 0.517 2.528) 3.619 17.058 ( -0.995 1.080 -4.791) 5.011 17.446 ( -0.968 -0.994 1.589) 2.110 17.458 ( -1.400 -1.939 0.994) 2.590 19.898 ( 0.756 -8.768 -1.215) 8.884 19.962 ( 3.015 -4.849 -3.232) 6.561 20.277 ( -0.685 0.538 1.273) 1.543 20.330 ( -0.011 7.172 -1.045) 7.247 22.494 ( -2.394 4.272 3.788) 6.191 22.563 ( -1.038 -4.208 2.677) 5.094 22.751 ( 2.073 8.342 -1.941) 8.812 22.780 ( 1.537 -4.298 -3.136) 5.538 27.801 ( -2.035 -9.492 1.131) 9.773 27.932 ( 0.632 11.600 -3.067) 12.015 28.025 ( -1.583 6.512 2.615) 7.194 28.159 ( 6.505 -10.385 -2.630) 12.533 30.437 ( -3.245 -0.541 1.953) 3.826 30.469 ( -2.316 0.333 2.619) 3.512 30.854 ( -1.085 11.327 -4.536) 12.249 30.922 ( 3.023 -1.813 -3.936) 5.284 31.176 ( -2.319 -3.081 0.390) 3.875 31.239 ( -1.132 0.095 -4.416) 4.559 31.300 ( -0.771 0.964 6.356) 6.474 31.695 ( 12.988 -2.504 -9.560) 16.321 32.730 ( -0.768 -6.904 2.904) 7.530 32.817 ( 0.102 -3.326 -4.856) 5.887 33.042 ( 1.255 -0.629 4.010) 4.249 33.126 ( 0.428 9.308 -3.848) 10.081 34.971 ( -1.893 -0.329 3.030) 3.588 35.010 ( -2.038 -0.316 2.450) 3.202 35.205 ( -3.094 -0.493 1.964) 3.698 35.268 ( -2.503 -3.179 7.178) 8.240 35.429 ( -6.094 -0.349 1.126) 6.207 35.534 ( 0.240 1.083 5.670) 5.777 36.883 ( -5.045 11.491 -10.057) 16.082 37.021 ( 11.227 -9.387 1.502) 14.710 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 4.141 0.000 -2.861) 5.033 1.728 ( -24.825 -0.000 -3.991) 25.144 1.930 ( 6.307 0.000 -9.288) 11.227 1.997 ( 14.838 0.000 -1.504) 14.914 2.283 ( -2.763 -0.000 1.752) 3.271 2.491 ( 4.554 0.000 -0.058) 4.554 2.597 ( -16.550 -0.000 -8.198) 18.469 2.640 ( -2.486 -0.000 -1.791) 3.064 2.807 ( 15.385 0.000 -9.795) 18.239 2.810 ( 5.887 0.000 0.078) 5.888 3.102 ( 3.060 0.000 -0.417) 3.089 3.277 ( -1.096 -0.000 -5.781) 5.884 3.398 ( 0.623 0.000 0.243) 0.668 3.510 ( -3.857 -0.000 1.377) 4.095 3.821 ( 1.060 0.000 1.511) 1.845 3.860 ( 4.857 0.000 3.174) 5.802 3.997 ( -7.533 -0.000 7.524) 10.647 4.246 ( 8.001 0.000 12.060) 14.473 4.348 ( -5.696 -0.000 -3.639) 6.759 4.360 ( -2.706 -0.000 9.959) 10.320 4.845 ( 1.780 0.000 -1.938) 2.631 4.923 ( -7.244 -0.000 -5.408) 9.040 5.157 ( -2.701 -0.000 -0.030) 2.701 5.269 ( 1.761 0.000 -0.888) 1.973 5.365 ( 1.067 0.000 -3.671) 3.823 5.383 ( 4.848 0.000 5.912) 7.645 5.554 ( 0.333 0.000 6.295) 6.303 5.621 ( 0.982 0.000 -3.436) 3.574 6.071 ( -4.790 -0.000 5.844) 7.556 6.152 ( 1.245 0.000 1.639) 2.058 7.500 ( -2.663 -0.000 -10.326) 10.664 7.526 ( -7.367 -0.000 -13.733) 15.584 7.905 ( -0.245 -0.000 2.181) 2.194 7.956 ( 1.521 0.000 0.807) 1.722 8.804 ( 5.576 0.000 2.925) 6.297 8.960 ( -1.631 -0.000 -2.275) 2.799 8.988 ( -3.409 -0.000 -1.122) 3.589 9.080 ( 0.988 0.000 -5.131) 5.225 9.296 ( 3.253 0.000 4.967) 5.937 9.415 ( 8.247 0.000 9.135) 12.307 9.522 ( -6.840 -0.000 -5.847) 8.998 9.705 ( 4.712 0.000 3.380) 5.799 9.905 ( -9.918 -0.000 -9.075) 13.443 9.906 ( -4.170 -0.000 -2.194) 4.712 10.566 ( 0.220 0.000 2.071) 2.082 10.756 ( 0.678 0.000 -3.109) 3.182 11.085 ( -5.094 -0.000 9.531) 10.807 11.180 ( 7.860 0.000 4.787) 9.203 11.594 ( -4.128 -0.000 -2.833) 5.007 11.605 ( 2.877 0.000 -2.946) 4.118 11.729 ( -1.055 -0.000 1.029) 1.474 11.845 ( -2.072 -0.000 -4.177) 4.663 12.282 ( 1.893 0.000 2.896) 3.459 12.381 ( 0.999 0.000 4.435) 4.546 12.467 ( 5.860 0.000 -0.306) 5.868 12.490 ( 0.229 0.000 -2.810) 2.820 12.887 ( 4.356 0.000 -2.708) 5.129 12.954 ( 1.750 0.000 -0.874) 1.956 13.254 ( 0.946 0.000 2.857) 3.010 13.347 ( -3.235 -0.000 -1.455) 3.548 13.686 ( -1.027 -0.000 5.167) 5.268 13.741 ( -1.574 -0.000 2.971) 3.362 14.363 ( 3.157 0.000 1.106) 3.345 14.408 ( 1.368 0.000 -2.329) 2.701 14.564 ( 6.932 0.000 9.126) 11.460 14.783 ( -0.269 -0.000 -3.185) 3.197 15.146 ( 3.637 0.000 0.689) 3.702 15.156 ( 3.422 0.000 10.177) 10.737 15.453 ( -1.859 -0.000 -8.954) 9.145 15.962 ( -5.492 -0.000 -13.852) 14.901 16.453 ( 0.860 0.000 3.699) 3.797 16.505 ( 0.847 0.000 2.729) 2.857 16.907 ( 0.297 0.000 1.439) 1.469 16.987 ( 0.076 0.000 -1.077) 1.080 17.190 ( 4.546 0.000 7.104) 8.434 17.464 ( -6.012 -0.000 -3.443) 6.928 19.441 ( 2.956 0.000 -3.453) 4.546 19.590 ( -6.252 -0.000 -8.655) 10.677 21.052 ( -2.067 -0.000 0.894) 2.252 21.073 ( 1.568 0.000 0.134) 1.574 21.678 ( 0.047 0.000 7.047) 7.047 21.921 ( 1.059 0.000 -4.225) 4.356 23.131 ( -1.669 -0.000 2.397) 2.921 23.273 ( 1.198 0.000 -3.471) 3.672 26.826 ( 0.156 0.000 0.897) 0.910 26.828 ( 0.293 0.000 0.768) 0.822 29.293 ( 2.511 0.000 0.077) 2.512 29.341 ( -1.855 -0.000 -2.138) 2.831 29.896 ( 3.960 0.000 14.249) 14.789 30.291 ( 0.758 0.000 0.847) 1.136 30.367 ( 3.733 0.000 4.776) 6.062 30.864 ( 4.008 0.000 -5.534) 6.833 31.038 ( 1.071 0.000 1.960) 2.233 31.674 ( -0.166 -0.000 -11.180) 11.181 31.936 ( 1.660 0.000 -2.266) 2.809 31.987 ( -1.608 -0.000 -2.711) 3.152 32.123 ( 2.830 0.000 -4.687) 5.475 32.220 ( 3.194 0.000 -39.075) 39.205 33.061 ( -5.896 -0.000 5.255) 7.898 33.314 ( 11.532 0.000 -7.607) 13.815 34.971 ( -1.180 -0.000 3.650) 3.836 35.054 ( -1.861 -0.000 -2.079) 2.790 35.104 ( 1.638 0.000 4.375) 4.672 35.239 ( 0.275 0.000 0.335) 0.433 35.246 ( 1.825 0.000 3.689) 4.116 35.466 ( -8.337 -0.000 -2.805) 8.796 36.728 ( -0.852 -0.000 47.295) 47.302 38.123 ( -9.039 -0.000 -16.728) 19.014 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -15.953 -3.297 -3.627) 16.689 1.538 ( -13.779 -4.547 5.117) 15.386 1.897 ( 7.986 2.717 -7.561) 11.328 2.083 ( 5.828 2.910 -7.135) 9.661 2.344 ( -2.092 -7.255 1.981) 7.806 2.480 ( -12.435 -8.427 -4.533) 15.690 2.572 ( 1.704 -2.022 -6.449) 6.970 2.668 ( 0.998 -5.654 3.906) 6.944 2.918 ( 13.281 -8.500 -4.464) 16.388 2.963 ( 3.025 -6.519 -6.101) 9.427 3.096 ( 0.810 0.666 2.794) 2.984 3.270 ( -2.167 -2.057 -7.508) 8.081 3.385 ( 2.733 3.527 3.927) 5.944 3.429 ( -4.366 2.522 -1.116) 5.164 3.809 ( 1.950 3.110 1.657) 4.028 3.872 ( -0.317 2.225 -1.637) 2.780 4.004 ( -1.590 1.386 9.952) 10.173 4.252 ( -3.005 2.661 -4.068) 5.715 4.343 ( 5.114 2.382 10.252) 11.701 4.396 ( -1.485 -1.386 5.492) 5.856 4.805 ( -5.247 3.459 -2.044) 6.608 4.831 ( -0.549 2.184 -0.722) 2.365 5.166 ( -5.709 -4.033 0.714) 7.026 5.295 ( 1.740 -0.104 1.381) 2.224 5.350 ( -0.444 -2.873 -5.752) 6.445 5.402 ( -0.635 3.530 -3.120) 4.754 5.570 ( 2.164 1.519 7.450) 7.906 5.655 ( 0.610 -2.212 0.611) 2.375 6.037 ( -1.140 3.677 5.966) 7.101 6.108 ( 1.540 6.899 1.858) 7.309 7.419 ( -5.170 -1.953 -7.230) 9.100 7.471 ( -4.027 -4.418 -9.491) 11.216 7.867 ( -0.694 5.237 2.244) 5.739 7.943 ( 3.823 3.441 0.108) 5.145 8.819 ( 4.926 4.186 2.542) 6.946 8.862 ( -4.046 5.624 -3.922) 7.962 8.934 ( -1.464 2.357 1.136) 2.998 9.033 ( -0.227 2.888 -4.873) 5.670 9.333 ( -0.790 0.656 2.934) 3.108 9.461 ( 0.901 -0.459 -4.755) 4.862 9.548 ( 4.062 -0.940 9.349) 10.236 9.765 ( 1.558 0.730 -5.513) 5.775 9.865 ( 0.667 -6.691 2.363) 7.127 9.896 ( -4.259 -4.282 -2.467) 6.524 10.515 ( -2.436 6.551 3.589) 7.857 10.693 ( 0.429 4.945 -4.298) 6.566 11.080 ( -2.241 2.222 8.693) 9.248 11.253 ( 5.006 1.677 2.901) 6.024 11.473 ( -3.453 3.591 -1.757) 5.283 11.646 ( -1.058 -4.164 -5.967) 7.353 11.742 ( -0.562 -1.669 -0.053) 1.762 11.822 ( -0.036 0.261 -3.021) 3.032 12.230 ( -3.319 6.687 5.621) 9.345 12.375 ( 1.630 5.224 0.836) 5.535 12.419 ( 1.163 3.234 -0.012) 3.437 12.481 ( -0.927 1.479 -4.007) 4.371 12.903 ( 5.791 1.502 0.468) 6.001 12.944 ( 1.014 -0.025 -3.629) 3.768 13.253 ( 1.588 0.768 6.647) 6.877 13.418 ( -1.066 -5.999 -2.948) 6.769 13.703 ( -1.953 1.386 3.827) 4.515 13.762 ( -2.083 -5.114 1.942) 5.853 14.340 ( 3.001 4.942 1.839) 6.068 14.448 ( 2.882 -2.986 -4.102) 5.835 14.808 ( -4.108 -11.020 -0.383) 11.767 14.841 ( 4.814 -10.209 1.617) 11.402 15.152 ( 0.809 -1.513 3.715) 4.092 15.312 ( 1.683 -8.527 -2.199) 8.965 15.506 ( 5.911 -4.491 6.891) 10.129 15.869 ( -3.980 -3.965 -15.008) 16.025 16.427 ( -0.895 4.038 3.922) 5.700 16.507 ( 2.411 0.991 1.215) 2.876 16.919 ( 0.670 -0.443 1.910) 2.072 17.015 ( 0.310 -3.198 -3.560) 4.795 17.286 ( 3.289 -1.903 7.547) 8.449 17.403 ( -6.784 -1.424 -4.255) 8.134 19.490 ( 4.297 -3.352 -2.635) 6.053 19.515 ( -2.344 -1.862 -6.519) 7.173 20.893 ( -2.913 12.778 2.249) 13.297 20.994 ( 2.255 10.305 -1.233) 10.621 21.848 ( -0.565 -12.601 6.352) 14.123 22.021 ( 0.855 -11.536 -4.219) 12.313 23.073 ( -2.308 5.918 3.289) 7.153 23.229 ( 1.557 3.868 -3.651) 5.542 26.919 ( -1.463 -9.748 0.765) 9.887 26.962 ( 3.412 -13.416 0.638) 13.858 29.091 ( 0.903 18.820 2.210) 18.971 29.183 ( -1.582 15.028 -4.278) 15.705 30.178 ( -1.022 -14.255 10.159) 17.535 30.325 ( 2.210 -2.995 0.740) 3.795 30.439 ( 2.819 -2.667 8.753) 9.575 30.886 ( 1.578 -3.107 -7.312) 8.100 31.087 ( 2.390 -1.805 3.794) 4.833 31.525 ( -2.522 3.021 -18.623) 19.034 31.753 ( 0.147 13.385 -2.725) 13.661 31.842 ( -1.302 5.753 -25.982) 26.643 32.208 ( -4.378 -11.626 -4.184) 13.108 32.288 ( 2.537 -12.622 -3.865) 13.442 33.052 ( -3.889 -0.170 4.307) 5.806 33.360 ( 10.783 0.428 -6.675) 12.689 34.980 ( -1.571 -0.369 2.435) 2.921 35.035 ( -1.093 -0.509 -0.596) 1.345 35.156 ( -0.725 0.537 4.303) 4.397 35.182 ( -1.278 2.286 5.645) 6.223 35.361 ( 4.730 -5.607 0.042) 7.336 35.402 ( -4.288 -0.395 -3.587) 5.604 36.934 ( 2.399 7.868 45.225) 45.967 37.852 ( -6.929 10.456 -20.564) 24.087 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -9.113 -9.045 3.517) 13.313 1.617 ( -12.561 -12.296 6.717) 18.817 1.899 ( 10.374 -1.297 -7.480) 12.855 2.058 ( 1.455 -1.970 -4.037) 4.722 2.310 ( -12.947 -1.411 0.203) 13.025 2.495 ( 1.694 4.036 -4.518) 6.291 2.665 ( -6.862 -12.411 -6.104) 15.440 2.888 ( 3.457 -10.341 3.180) 11.357 2.918 ( -7.475 1.366 -3.071) 8.196 3.070 ( -1.367 3.097 -4.048) 5.276 3.170 ( -0.307 1.585 -7.183) 7.362 3.229 ( 6.043 -11.911 0.918) 13.388 3.400 ( 0.194 -2.152 0.156) 2.167 3.501 ( 6.560 -7.140 3.123) 10.187 3.735 ( -3.229 5.128 -4.890) 7.787 3.777 ( 0.810 6.219 1.259) 6.396 4.029 ( 3.522 1.694 6.590) 7.661 4.176 ( 1.687 3.944 -0.504) 4.319 4.361 ( -0.879 1.866 3.327) 3.914 4.468 ( 2.220 -3.786 -0.247) 4.396 4.723 ( -1.506 5.090 1.529) 5.524 4.767 ( 0.533 0.717 3.055) 3.183 5.209 ( -5.523 -3.534 1.402) 6.705 5.244 ( -5.499 4.662 -4.308) 8.398 5.356 ( 0.679 -2.256 -1.628) 2.864 5.381 ( -0.993 -3.188 0.088) 3.340 5.559 ( -0.941 4.719 5.926) 7.633 5.669 ( -0.194 0.753 -2.030) 2.174 5.949 ( -2.299 8.514 0.664) 8.844 6.045 ( 7.382 3.953 6.359) 10.515 7.422 ( -5.558 -4.130 -0.658) 6.955 7.491 ( -3.855 -5.828 -6.829) 9.771 7.757 ( 0.153 6.348 1.817) 6.605 7.926 ( 7.965 2.298 -0.175) 8.292 8.721 ( -1.699 4.572 -2.205) 5.352 8.787 ( 2.751 3.520 0.905) 4.558 8.883 ( -0.577 3.248 1.536) 3.639 8.954 ( 1.017 3.362 -2.405) 4.257 9.295 ( -3.940 2.996 1.925) 5.311 9.444 ( 4.794 4.828 -1.984) 7.088 9.587 ( -4.397 -1.603 1.397) 4.884 9.719 ( 0.580 1.143 -5.256) 5.410 9.924 ( -3.990 -3.792 0.033) 5.504 10.062 ( 5.900 -6.288 3.073) 9.154 10.364 ( -5.753 8.615 5.750) 11.848 10.572 ( 0.935 5.990 -4.231) 7.393 11.090 ( 0.671 1.671 7.105) 7.330 11.214 ( 2.271 1.826 -2.621) 3.919 11.483 ( -0.710 -2.760 6.526) 7.121 11.667 ( -2.471 -2.065 -6.788) 7.513 11.760 ( -1.523 0.698 0.503) 1.749 11.803 ( 0.329 -4.495 -3.963) 6.001 12.078 ( -8.329 7.263 3.211) 11.508 12.273 ( 3.382 6.195 -0.492) 7.075 12.388 ( 2.156 3.596 1.577) 4.480 12.421 ( -1.133 1.257 -2.939) 3.391 12.871 ( 0.006 3.387 -2.988) 4.517 12.953 ( 4.016 2.617 -0.177) 4.797 13.327 ( 1.860 -2.866 7.721) 8.443 13.439 ( 0.116 -0.714 -5.417) 5.465 13.767 ( -2.871 -8.554 4.230) 9.965 13.852 ( -3.737 -5.941 -1.102) 7.104 14.259 ( -2.151 7.099 -2.273) 7.759 14.399 ( 3.806 4.183 -3.088) 6.444 14.949 ( -5.100 -8.780 1.368) 10.246 15.095 ( 5.157 -10.881 1.188) 12.100 15.246 ( -0.978 -3.732 2.570) 4.636 15.435 ( 4.154 -6.042 -5.063) 8.910 15.664 ( -1.768 -6.169 5.189) 8.252 15.874 ( 2.160 -1.376 -5.234) 5.827 16.379 ( -1.830 2.712 2.452) 4.089 16.566 ( 9.100 -2.994 -0.940) 9.626 16.969 ( 1.767 -2.768 3.620) 4.888 17.046 ( 0.578 -2.951 -7.119) 7.728 17.359 ( -4.218 -2.276 -0.678) 4.841 17.382 ( -0.473 -1.971 3.595) 4.127 19.545 ( 0.547 -6.799 -2.620) 7.306 19.624 ( 6.111 -7.745 -3.246) 10.386 20.640 ( -3.418 13.929 2.841) 14.621 20.777 ( 1.819 13.938 -2.039) 14.204 22.108 ( -2.583 -13.468 4.376) 14.395 22.244 ( 1.649 -14.057 -3.675) 14.623 22.955 ( -1.807 7.759 5.361) 9.602 23.119 ( 1.749 7.523 -3.973) 8.685 27.135 ( -2.860 -15.821 0.295) 16.080 27.345 ( 12.333 -21.178 0.508) 24.513 28.735 ( -2.770 20.985 -0.057) 21.167 28.794 ( -1.169 22.862 -3.387) 23.141 30.322 ( -2.945 -4.611 1.113) 5.583 30.406 ( 1.283 -2.550 0.049) 2.855 30.682 ( -2.308 -12.413 12.084) 17.476 30.924 ( -2.397 -6.744 -6.490) 9.662 31.136 ( -0.036 -0.093 0.463) 0.474 31.366 ( -0.458 3.560 -14.373) 14.815 31.489 ( -1.911 12.522 0.499) 12.677 31.649 ( 0.849 0.875 -17.149) 17.192 32.380 ( -3.347 -11.830 0.296) 12.298 32.517 ( 3.129 -11.911 -2.344) 12.536 33.049 ( -3.301 0.162 4.095) 5.262 33.367 ( 7.189 3.295 -5.549) 9.661 34.979 ( -2.307 0.108 1.647) 2.837 35.046 ( 1.025 0.878 0.943) 1.647 35.111 ( -7.371 -1.485 4.191) 8.608 35.231 ( 2.522 0.657 8.015) 8.428 35.372 ( -2.133 -1.217 -3.862) 4.576 35.496 ( 4.348 -4.865 0.485) 6.543 36.981 ( 0.545 10.811 31.103) 32.932 37.473 ( -1.135 15.042 -19.619) 24.748 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.161 -7.645 1.729) 9.970 1.788 ( -13.458 -10.487 -0.802) 17.081 2.021 ( 8.043 -5.455 -4.548) 10.729 2.125 ( 2.095 -4.304 2.527) 5.412 2.346 ( 1.491 -8.859 4.131) 9.888 2.399 ( 0.303 3.650 -1.961) 4.154 2.737 ( -5.683 -4.478 -7.803) 10.641 2.797 ( -6.314 -0.508 -5.534) 8.411 2.955 ( -0.255 3.205 -5.534) 6.400 3.056 ( 2.923 -2.604 -0.316) 3.927 3.183 ( -0.899 -3.026 0.144) 3.160 3.387 ( -4.795 -5.707 -2.775) 7.954 3.471 ( 3.854 -0.309 6.685) 7.722 3.559 ( -2.192 4.405 -7.639) 9.087 3.644 ( 0.780 -0.419 3.255) 3.373 3.721 ( 2.350 1.509 3.159) 4.216 4.049 ( 5.237 3.087 -2.373) 6.526 4.161 ( 3.145 1.724 4.614) 5.844 4.306 ( -6.702 -1.449 -5.554) 8.824 4.465 ( -1.007 2.976 -1.149) 3.346 4.704 ( 4.968 0.218 2.305) 5.481 4.842 ( 5.510 -0.658 4.474) 7.128 5.060 ( -5.868 5.023 -2.316) 8.064 5.240 ( -2.512 -1.030 -2.886) 3.963 5.361 ( -4.432 -0.613 2.624) 5.187 5.470 ( -0.135 -3.530 5.192) 6.280 5.483 ( -1.637 3.966 4.034) 5.889 5.615 ( 0.515 2.609 -2.320) 3.529 5.825 ( -2.287 1.945 -0.535) 3.050 6.074 ( 9.309 4.256 3.651) 10.868 7.409 ( -8.259 -0.218 1.527) 8.402 7.522 ( -6.358 -5.343 -5.743) 10.097 7.709 ( 3.532 1.545 0.304) 3.867 8.029 ( 12.101 -4.225 2.053) 12.980 8.661 ( 0.987 0.658 -1.288) 1.751 8.747 ( -1.488 2.566 1.221) 3.208 8.865 ( 3.255 -0.246 1.564) 3.620 8.914 ( 2.427 1.845 0.604) 3.108 9.196 ( -4.551 4.192 -1.128) 6.289 9.303 ( -2.859 8.711 -2.005) 9.384 9.600 ( -0.791 -2.946 -1.393) 3.353 9.726 ( 1.725 -1.782 1.398) 2.847 9.921 ( -3.026 1.171 -2.252) 3.950 10.136 ( 1.746 4.288 3.352) 5.716 10.253 ( -4.163 1.896 3.225) 5.597 10.458 ( 0.410 3.374 -4.372) 5.538 11.081 ( -1.416 1.598 4.668) 5.133 11.254 ( 5.628 -1.406 -0.514) 5.824 11.488 ( -6.683 3.052 -2.893) 7.896 11.644 ( -1.181 -3.023 3.917) 5.087 11.786 ( -0.318 -0.977 2.480) 2.684 11.890 ( -2.268 -1.680 -3.675) 4.634 11.980 ( -0.086 -6.005 1.975) 6.322 12.228 ( 6.201 1.874 -2.783) 7.050 12.332 ( 0.275 4.014 0.884) 4.120 12.379 ( -0.400 2.433 -0.872) 2.615 12.766 ( -1.224 5.990 -1.237) 6.237 12.858 ( -0.441 7.506 -2.587) 7.951 13.442 ( 1.612 -5.322 -1.643) 5.798 13.497 ( 5.415 -3.719 6.216) 9.044 13.852 ( -7.860 -1.369 -2.303) 8.304 13.945 ( -1.374 -7.353 0.818) 7.525 14.056 ( -6.077 6.014 -3.840) 9.373 14.411 ( 5.856 -1.153 0.148) 5.971 15.034 ( -5.522 -5.118 1.278) 7.637 15.206 ( -3.745 4.739 -3.977) 7.232 15.321 ( 7.140 -7.007 2.851) 10.402 15.506 ( 5.254 3.035 2.477) 6.554 15.796 ( -4.739 -8.486 -3.869) 10.461 15.888 ( 0.166 -4.589 4.183) 6.212 16.301 ( -3.907 4.309 -1.253) 5.950 16.667 ( 11.551 2.075 -1.301) 11.808 17.025 ( -0.363 -0.303 -7.876) 7.890 17.082 ( 3.257 -2.669 5.280) 6.753 17.351 ( -5.132 -3.194 -3.944) 7.218 17.461 ( 1.298 -2.485 5.721) 6.371 19.716 ( 2.236 -11.000 0.414) 11.233 19.817 ( 6.339 -10.257 -4.475) 12.861 20.399 ( -3.267 11.265 2.896) 12.081 20.523 ( 0.486 13.839 -2.612) 14.091 22.326 ( -4.388 -11.946 3.304) 13.149 22.481 ( 2.455 -12.466 -2.992) 13.053 22.827 ( -1.077 8.946 5.109) 10.359 22.951 ( 1.892 10.366 -3.891) 11.232 27.435 ( -2.336 -20.154 -0.047) 20.289 27.837 ( 16.947 -19.560 -0.735) 25.891 28.302 ( -5.520 20.796 -5.801) 22.284 28.392 ( -0.628 22.002 4.222) 22.413 30.372 ( -4.203 -3.812 0.254) 5.680 30.458 ( -0.313 -2.081 1.189) 2.417 30.831 ( -4.356 -5.814 -0.725) 7.301 30.928 ( -7.619 1.174 -7.394) 10.681 31.151 ( 3.219 -0.127 0.580) 3.273 31.248 ( 0.980 3.613 -5.467) 6.626 31.334 ( -2.813 2.928 5.092) 6.513 31.655 ( 7.699 -5.017 -7.634) 11.947 32.572 ( -1.828 -10.880 2.700) 11.358 32.707 ( 3.428 -7.632 -3.356) 9.014 33.044 ( -3.245 -0.323 3.820) 5.023 33.278 ( 3.151 7.873 -5.159) 9.926 34.966 ( -2.890 0.124 1.694) 3.352 35.018 ( -1.820 1.513 2.415) 3.382 35.161 ( -2.922 -3.922 4.696) 6.780 35.276 ( 0.814 0.514 8.109) 8.166 35.363 ( -2.596 -1.732 -2.988) 4.320 35.581 ( 0.667 -0.651 4.176) 4.279 36.957 ( -0.312 4.603 3.166) 5.596 37.126 ( 3.865 13.017 -6.125) 14.896 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -31.388 -0.000 -11.014) 33.264 1.412 ( -14.367 -0.000 8.623) 16.756 1.958 ( 3.491 0.000 -1.410) 3.765 2.108 ( -20.385 -0.000 -5.985) 21.246 2.189 ( -1.184 -0.000 -1.009) 1.556 2.412 ( 9.903 0.000 3.732) 10.583 2.529 ( 4.561 0.000 -8.567) 9.706 2.646 ( -0.582 -0.000 5.286) 5.318 2.873 ( 5.777 0.000 -4.095) 7.081 2.906 ( 10.315 0.000 -8.945) 13.653 3.147 ( -8.253 -0.000 -6.389) 10.437 3.156 ( 2.920 0.000 1.638) 3.348 3.423 ( -4.609 -0.000 -1.224) 4.769 3.488 ( 4.692 0.000 7.706) 9.022 3.834 ( -0.834 -0.000 -0.606) 1.031 3.873 ( -0.666 -0.000 -2.020) 2.127 4.099 ( 2.015 0.000 11.765) 11.936 4.232 ( -1.869 -0.000 -2.302) 2.965 4.375 ( -3.770 -0.000 0.732) 3.840 4.462 ( 4.508 0.000 7.411) 8.674 4.769 ( -6.564 -0.000 -2.246) 6.938 4.858 ( 0.790 0.000 3.871) 3.951 5.096 ( -6.177 -0.000 0.637) 6.210 5.275 ( -2.297 -0.000 -4.970) 5.475 5.318 ( 0.663 0.000 4.304) 4.354 5.462 ( 4.771 0.000 -4.990) 6.904 5.614 ( -0.715 -0.000 1.731) 1.872 5.640 ( 1.565 0.000 2.215) 2.712 6.091 ( -0.592 -0.000 5.456) 5.488 6.199 ( 3.091 0.000 1.045) 3.263 7.323 ( -5.122 -0.000 -4.082) 6.549 7.369 ( -2.900 -0.000 -2.485) 3.819 7.928 ( 0.427 0.000 1.973) 2.019 7.984 ( 1.783 0.000 -1.447) 2.296 8.848 ( -4.229 -0.000 -4.812) 6.406 8.899 ( 1.927 0.000 1.888) 2.698 8.952 ( -3.710 -0.000 0.976) 3.836 9.054 ( 1.187 0.000 -2.411) 2.687 9.350 ( -1.953 -0.000 3.367) 3.892 9.405 ( -0.246 -0.000 -2.381) 2.394 9.679 ( 9.063 0.000 6.797) 11.328 9.689 ( -4.248 -0.000 -8.347) 9.366 9.805 ( -2.389 -0.000 -1.099) 2.630 9.878 ( 9.219 0.000 5.239) 10.604 10.582 ( -2.686 -0.000 4.334) 5.099 10.722 ( 1.116 0.000 -5.552) 5.663 11.137 ( -2.395 -0.000 8.639) 8.965 11.349 ( 7.324 0.000 2.508) 7.741 11.461 ( -6.925 -0.000 -4.272) 8.136 11.554 ( -0.532 -0.000 -4.432) 4.464 11.718 ( -1.132 -0.000 0.978) 1.496 11.819 ( 1.356 0.000 -2.092) 2.493 12.308 ( -4.531 -0.000 3.484) 5.715 12.411 ( -0.189 -0.000 2.181) 2.189 12.449 ( -2.130 -0.000 -7.308) 7.612 12.485 ( 0.622 0.000 1.198) 1.350 12.891 ( -1.136 -0.000 -8.412) 8.489 12.975 ( 6.314 0.000 1.237) 6.434 13.332 ( 1.218 0.000 -0.716) 1.413 13.332 ( 2.304 0.000 3.726) 4.380 13.711 ( -2.341 -0.000 3.994) 4.629 13.721 ( -4.047 -0.000 1.173) 4.213 14.405 ( 3.077 0.000 -0.922) 3.212 14.407 ( 1.599 0.000 -2.812) 3.235 14.708 ( 2.368 0.000 4.112) 4.745 14.749 ( -0.035 -0.000 -4.939) 4.939 15.134 ( -5.447 -0.000 -4.514) 7.074 15.217 ( 3.496 0.000 2.173) 4.117 15.610 ( 11.384 0.000 14.440) 18.387 15.655 ( -8.785 -0.000 -21.419) 23.151 16.479 ( -1.648 -0.000 1.811) 2.448 16.517 ( -0.826 -0.000 -0.388) 0.912 16.935 ( 0.823 0.000 2.055) 2.214 16.978 ( 0.818 0.000 -1.888) 2.058 17.300 ( -8.146 -0.000 -5.507) 9.833 17.337 ( 2.485 0.000 8.287) 8.652 19.440 ( -1.789 -0.000 -5.573) 5.853 19.516 ( 8.139 0.000 1.606) 8.296 21.023 ( -2.676 -0.000 0.624) 2.748 21.102 ( 1.842 0.000 0.260) 1.860 21.754 ( -0.224 -0.000 6.279) 6.283 21.878 ( 0.403 0.000 -5.109) 5.125 23.132 ( -1.622 -0.000 2.715) 3.162 23.258 ( 1.692 0.000 -3.141) 3.568 26.830 ( -0.543 -0.000 0.339) 0.640 26.833 ( -0.438 -0.000 0.254) 0.506 29.280 ( -3.005 -0.000 -1.820) 3.513 29.324 ( 0.978 0.000 0.277) 1.016 30.083 ( -1.915 -0.000 15.513) 15.631 30.303 ( 1.077 0.000 -2.328) 2.565 30.479 ( 1.644 0.000 6.517) 6.721 30.805 ( 0.666 0.000 -24.781) 24.790 31.117 ( 2.226 0.000 6.899) 7.249 31.267 ( -11.155 -0.000 -35.621) 37.327 31.904 ( -4.799 -0.000 -2.862) 5.588 31.904 ( -3.514 -0.000 -3.236) 4.777 31.983 ( -1.703 -0.000 0.352) 1.739 32.106 ( 0.867 0.000 -3.094) 3.213 33.048 ( -1.226 -0.000 2.306) 2.611 33.411 ( 11.216 0.000 -7.052) 13.249 34.970 ( -2.428 -0.000 2.368) 3.392 35.011 ( -1.822 -0.000 -0.308) 1.848 35.206 ( -2.115 -0.000 -3.024) 3.690 35.225 ( 3.870 0.000 5.318) 6.578 35.328 ( 2.614 0.000 6.553) 7.055 35.368 ( -0.526 -0.000 -2.799) 2.848 37.351 ( 10.559 0.000 49.756) 50.864 37.763 ( -6.570 -0.000 -23.573) 24.471 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -18.422 -21.598 -1.593) 28.432 1.401 ( -19.829 -6.176 13.187) 24.601 1.895 ( -15.976 -3.699 -0.653) 16.412 2.016 ( -1.254 -0.566 -2.987) 3.289 2.117 ( -6.163 0.510 0.011) 6.185 2.478 ( -0.031 0.319 -4.715) 4.726 2.550 ( 3.994 -0.708 -2.524) 4.777 2.727 ( 0.907 -5.252 3.227) 6.230 2.870 ( -2.200 -1.213 -10.093) 10.401 3.040 ( 5.612 -8.924 -5.628) 11.950 3.075 ( -2.460 -1.147 -3.160) 4.165 3.189 ( 2.070 0.109 1.282) 2.437 3.368 ( -1.286 1.504 0.388) 2.016 3.561 ( 8.135 0.235 8.725) 11.932 3.769 ( -2.149 4.258 -5.443) 7.237 3.853 ( 0.332 1.771 -1.177) 2.153 4.143 ( 2.534 2.761 8.912) 9.668 4.232 ( 2.054 0.230 1.929) 2.827 4.347 ( -2.501 -0.240 -6.260) 6.746 4.494 ( 2.296 2.113 4.232) 5.258 4.733 ( -2.623 -2.474 0.380) 3.626 4.860 ( 1.346 5.715 5.641) 8.142 5.063 ( -8.344 -3.054 1.721) 9.050 5.238 ( -3.776 -0.042 -2.351) 4.448 5.359 ( 1.411 -1.636 2.601) 3.381 5.387 ( 1.704 6.006 -3.334) 7.078 5.623 ( -2.987 -1.846 -4.327) 5.572 5.653 ( 1.241 1.468 2.108) 2.853 6.076 ( -0.131 5.174 1.118) 5.295 6.187 ( 4.767 3.727 1.951) 6.358 7.320 ( -3.062 -3.235 1.721) 4.776 7.386 ( -1.269 -2.344 4.731) 5.430 7.888 ( 0.770 5.722 1.408) 5.943 7.978 ( 2.385 0.465 -2.696) 3.629 8.767 ( -1.644 3.122 -3.417) 4.911 8.878 ( -1.157 3.729 2.237) 4.500 8.919 ( -2.857 0.170 1.633) 3.295 9.017 ( 2.110 3.606 -1.031) 4.303 9.316 ( -5.874 2.231 1.971) 6.585 9.442 ( 3.476 -3.140 -1.028) 4.796 9.607 ( -4.131 3.587 -4.468) 7.064 9.699 ( -0.655 -0.377 -5.646) 5.696 9.878 ( 4.430 -1.636 6.506) 8.039 10.008 ( 6.484 -4.056 2.802) 8.145 10.514 ( -4.084 7.574 6.002) 10.491 10.658 ( 2.554 4.767 -4.408) 6.977 11.168 ( 1.408 -0.587 6.734) 6.904 11.274 ( -0.052 6.070 -4.532) 7.575 11.458 ( -1.469 -2.478 0.020) 2.881 11.565 ( -0.440 -2.417 -1.586) 2.924 11.734 ( -0.748 -1.107 2.032) 2.432 11.796 ( -0.226 2.333 -0.885) 2.505 12.155 ( -11.592 8.756 -0.267) 14.530 12.378 ( -0.090 2.170 -3.905) 4.469 12.418 ( 0.835 1.028 0.689) 1.493 12.464 ( 0.410 3.081 2.157) 3.784 12.847 ( -0.459 -1.122 -8.750) 8.833 13.019 ( 4.928 1.151 0.569) 5.093 13.347 ( -0.480 0.635 2.197) 2.337 13.384 ( 2.088 -4.099 -0.342) 4.613 13.687 ( -3.267 -0.305 1.008) 3.432 13.745 ( -2.011 -3.512 1.347) 4.265 14.322 ( -3.478 4.788 -4.798) 7.618 14.465 ( 2.632 2.657 -2.614) 4.563 14.727 ( -4.983 -11.159 -0.359) 12.226 14.933 ( 5.087 -11.516 0.417) 12.596 15.175 ( 1.578 -8.393 -2.061) 8.785 15.304 ( 2.288 -5.533 0.639) 6.021 15.532 ( -5.583 -5.326 -12.415) 14.617 15.856 ( 11.096 -7.369 7.046) 15.069 16.432 ( -1.969 2.992 0.986) 3.715 16.522 ( 1.216 -3.021 -3.765) 4.977 16.962 ( 1.075 -0.658 1.518) 1.973 16.983 ( 1.093 -1.696 -2.472) 3.191 17.237 ( -7.241 -2.876 -4.905) 9.207 17.401 ( 0.161 -0.831 7.377) 7.425 19.446 ( 1.450 -3.643 -1.902) 4.358 19.601 ( 8.272 -0.810 2.217) 8.602 20.868 ( -3.281 12.543 1.903) 13.103 21.011 ( 1.780 10.973 -1.533) 11.222 21.890 ( -2.315 -10.707 3.887) 11.623 21.987 ( 1.127 -12.592 -4.402) 13.386 23.087 ( -1.284 5.030 4.649) 6.969 23.219 ( 2.039 4.089 -3.334) 5.657 26.903 ( -1.232 -8.577 0.006) 8.665 27.043 ( 7.775 -20.909 -1.091) 22.334 29.048 ( -4.606 18.293 -2.736) 19.061 29.163 ( 0.107 17.777 0.356) 17.781 30.183 ( -7.825 -5.500 -1.177) 9.637 30.359 ( 2.037 -4.377 -0.807) 4.895 30.559 ( -2.788 -5.763 10.763) 12.523 30.633 ( -12.747 -10.414 -29.992) 34.212 31.106 ( -1.566 -1.543 -4.113) 4.664 31.249 ( 2.227 -6.356 -2.274) 7.108 31.672 ( -4.563 9.589 -1.030) 10.669 31.723 ( -2.233 13.551 -0.718) 13.753 32.135 ( -3.321 -12.879 1.078) 13.343 32.295 ( 1.210 -13.987 -0.843) 14.065 33.054 ( -0.226 0.258 1.475) 1.515 33.437 ( 8.592 1.782 -6.798) 11.100 34.966 ( -2.543 -0.073 1.813) 3.124 35.024 ( -1.533 -2.571 2.061) 3.634 35.122 ( -1.175 3.916 -1.042) 4.219 35.301 ( 0.579 -1.527 0.797) 1.817 35.347 ( 2.034 1.339 3.976) 4.662 35.434 ( 3.673 -4.755 1.189) 6.125 37.431 ( -0.618 16.857 10.016) 19.618 37.610 ( 7.115 9.927 6.989) 14.072 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -12.002 -13.346 5.074) 18.652 1.472 ( -18.592 -11.051 9.527) 23.634 1.980 ( 5.052 -8.377 -2.161) 10.019 2.071 ( 2.263 -8.362 2.829) 9.113 2.161 ( -6.608 -10.482 6.147) 13.832 2.398 ( -6.288 1.120 -8.029) 10.259 2.549 ( -0.447 -1.424 -4.140) 4.401 2.714 ( -6.938 -0.490 -5.866) 9.098 2.941 ( -1.549 -3.992 0.989) 4.394 3.033 ( 1.182 -1.175 -1.956) 2.570 3.111 ( 1.954 -1.535 -6.159) 6.641 3.249 ( -0.689 -3.626 -2.524) 4.471 3.403 ( -1.334 -5.218 3.710) 6.541 3.608 ( -0.672 5.860 -7.352) 9.426 3.707 ( 3.446 -0.024 8.582) 9.248 3.804 ( 4.414 3.031 -1.130) 5.472 4.118 ( -0.403 4.690 -1.109) 4.836 4.238 ( -4.038 2.994 -8.409) 9.797 4.264 ( 3.271 2.241 7.285) 8.294 4.491 ( 0.481 1.277 -1.384) 1.943 4.783 ( 3.986 3.304 2.763) 5.869 4.856 ( 2.851 -5.749 6.644) 9.237 5.093 ( -7.799 -3.724 -0.330) 8.649 5.151 ( -1.815 4.252 -2.074) 5.067 5.321 ( -2.452 -1.274 3.008) 4.084 5.434 ( 1.094 -2.441 2.734) 3.825 5.598 ( -0.321 3.619 1.066) 3.786 5.612 ( -2.646 -0.331 -4.119) 4.907 5.911 ( -0.617 10.017 -3.138) 10.515 6.192 ( 5.772 1.460 -0.860) 6.016 7.365 ( -3.283 -1.686 4.007) 5.448 7.435 ( -2.787 0.172 7.130) 7.657 7.803 ( 3.961 5.000 0.244) 6.383 8.018 ( 6.009 -4.068 -2.061) 7.544 8.706 ( 2.614 2.649 -0.964) 3.844 8.802 ( -3.162 3.703 2.179) 5.335 8.912 ( -0.700 0.912 3.562) 3.743 8.975 ( 2.461 2.665 0.582) 3.673 9.216 ( -7.254 3.536 -0.879) 8.117 9.400 ( -6.576 7.632 -6.630) 12.060 9.553 ( 2.602 -3.147 1.755) 4.444 9.685 ( 1.364 -2.174 -3.131) 4.048 9.927 ( -0.169 1.062 3.077) 3.259 10.136 ( 2.235 -5.058 -0.439) 5.547 10.349 ( -5.281 9.995 7.064) 13.330 10.538 ( 0.933 7.538 -4.335) 8.745 11.147 ( -1.379 3.892 3.240) 5.248 11.293 ( 7.545 -1.111 0.371) 7.636 11.450 ( -5.749 -0.352 -5.323) 7.843 11.593 ( -2.545 -1.986 1.231) 3.455 11.762 ( 0.201 -5.134 -2.065) 5.538 11.795 ( 1.685 -0.490 4.265) 4.612 11.947 ( -9.212 3.039 1.915) 9.887 12.324 ( 3.494 3.378 -3.614) 6.056 12.397 ( 1.894 2.868 1.106) 3.610 12.422 ( -0.626 2.816 1.532) 3.267 12.805 ( -0.854 1.300 -6.299) 6.489 12.967 ( -0.087 6.626 -3.228) 7.371 13.361 ( 0.903 -3.952 -1.850) 4.456 13.499 ( 2.625 -3.949 6.984) 8.441 13.713 ( -1.440 -3.789 -0.982) 4.171 13.827 ( -1.562 -6.577 0.941) 6.825 14.122 ( -7.033 7.876 -5.771) 12.033 14.437 ( 0.853 0.100 1.119) 1.411 14.878 ( -5.373 -7.624 0.787) 9.360 15.177 ( 4.802 -9.691 -0.674) 10.836 15.306 ( 6.880 -2.181 -0.455) 7.231 15.419 ( -1.711 -7.707 -4.518) 9.096 15.610 ( -0.300 -9.499 -0.602) 9.523 15.958 ( 1.881 5.616 5.920) 8.374 16.357 ( -1.612 4.596 -1.422) 5.074 16.678 ( 12.179 -9.521 -9.323) 18.053 16.960 ( 0.115 -1.283 -6.698) 6.821 17.071 ( 2.851 -4.307 5.346) 7.434 17.226 ( -5.456 -3.686 -3.763) 7.584 17.455 ( -0.682 -1.927 5.756) 6.109 19.572 ( 3.567 -8.060 1.525) 8.945 19.710 ( 7.335 -4.971 -0.612) 8.882 20.613 ( -3.732 13.707 2.413) 14.410 20.772 ( 1.016 14.769 -2.736) 15.055 22.086 ( -5.744 -12.462 3.114) 14.071 22.225 ( 1.514 -15.009 -4.122) 15.638 22.999 ( -1.018 7.518 4.803) 8.979 23.108 ( 2.280 7.844 -3.664) 8.953 27.106 ( -1.209 -15.236 0.113) 15.284 27.572 ( 19.272 -24.708 -6.638) 32.031 28.622 ( -4.665 21.886 -2.659) 22.535 28.794 ( -1.852 21.906 2.945) 22.181 30.209 ( -10.372 -8.803 -4.140) 14.220 30.410 ( 0.060 -3.182 -1.114) 3.371 30.635 ( -2.628 -8.377 -10.650) 13.803 30.757 ( -11.449 -10.208 6.299) 16.582 31.148 ( 3.366 -3.391 -0.081) 4.779 31.301 ( 3.242 3.124 -2.425) 5.114 31.473 ( -2.146 11.373 1.979) 11.742 31.572 ( -0.964 -2.855 -2.709) 4.052 32.360 ( -1.652 -13.069 3.075) 13.527 32.543 ( 2.171 -12.363 -0.624) 12.568 33.045 ( -1.231 0.997 1.488) 2.173 33.388 ( 4.567 5.246 -7.003) 9.871 34.955 ( -2.432 0.154 1.765) 3.009 35.050 ( -3.543 1.867 2.498) 4.720 35.101 ( 1.541 -3.454 2.930) 4.784 35.301 ( -1.394 -1.148 -3.147) 3.628 35.371 ( 1.457 2.607 8.545) 9.052 35.554 ( 2.669 -4.771 -0.113) 5.468 37.133 ( -1.411 14.271 -4.231) 14.952 37.423 ( 2.157 18.738 9.178) 20.976 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -26.065 -0.000 1.914) 26.135 1.247 ( -24.358 -0.000 14.039) 28.114 1.640 ( -37.458 -0.000 12.437) 39.468 2.037 ( 6.234 0.000 3.938) 7.374 2.095 ( -6.412 -0.000 -5.709) 8.586 2.383 ( -14.071 -0.000 -6.868) 15.657 2.644 ( 10.249 0.000 1.102) 10.308 2.702 ( 6.977 0.000 -2.931) 7.567 2.851 ( -4.024 -0.000 -6.454) 7.606 2.928 ( 8.529 0.000 -4.634) 9.707 3.018 ( 1.153 0.000 -4.221) 4.376 3.235 ( 3.092 0.000 3.927) 4.998 3.400 ( 0.699 0.000 2.352) 2.453 3.657 ( 5.425 0.000 5.790) 7.934 3.782 ( -1.456 -0.000 -3.812) 4.080 3.848 ( 1.796 0.000 -4.555) 4.897 4.239 ( -0.486 -0.000 9.244) 9.257 4.264 ( 3.738 0.000 3.564) 5.165 4.282 ( 0.919 0.000 -9.400) 9.444 4.541 ( 0.035 0.000 0.297) 0.299 4.676 ( -4.463 -0.000 0.277) 4.471 4.991 ( -8.126 -0.000 0.780) 8.163 4.992 ( 6.446 0.000 7.533) 9.914 5.214 ( -0.837 -0.000 -0.040) 0.838 5.377 ( -0.850 -0.000 1.775) 1.968 5.449 ( 3.739 0.000 -7.603) 8.472 5.521 ( -8.021 -0.000 -4.876) 9.387 5.663 ( 1.521 0.000 -3.802) 4.095 6.129 ( -0.635 -0.000 1.056) 1.232 6.256 ( 3.146 0.000 -0.689) 3.221 7.315 ( 0.743 0.000 9.348) 9.378 7.437 ( 5.405 0.000 13.632) 14.664 7.952 ( -0.257 -0.000 0.888) 0.925 7.972 ( 0.460 0.000 -3.107) 3.140 8.765 ( -0.664 -0.000 -2.843) 2.920 8.883 ( -5.015 -0.000 0.528) 5.043 8.903 ( -4.685 -0.000 3.271) 5.714 9.069 ( 2.009 0.000 -0.579) 2.091 9.286 ( -9.100 -0.000 0.235) 9.103 9.432 ( 4.452 0.000 -4.915) 6.631 9.609 ( 1.129 0.000 -2.842) 3.058 9.651 ( -2.508 -0.000 -2.447) 3.504 9.952 ( 2.870 0.000 6.239) 6.868 10.056 ( 8.093 0.000 2.059) 8.351 10.596 ( -3.245 -0.000 6.594) 7.349 10.729 ( 8.540 0.000 -2.048) 8.782 11.132 ( -2.379 -0.000 -5.581) 6.067 11.325 ( -8.408 -0.000 2.575) 8.794 11.398 ( 3.822 0.000 -6.881) 7.871 11.563 ( 0.372 0.000 1.386) 1.435 11.767 ( 1.734 0.000 7.987) 8.173 11.824 ( 1.482 0.000 0.580) 1.592 12.146 ( -14.991 -0.000 -8.021) 17.002 12.307 ( -3.134 -0.000 -7.692) 8.305 12.436 ( 0.967 0.000 1.045) 1.424 12.568 ( 5.392 0.000 4.932) 7.308 12.803 ( 2.497 0.000 -2.949) 3.864 13.065 ( 3.805 0.000 -0.768) 3.882 13.326 ( 1.824 0.000 -4.900) 5.229 13.378 ( -0.605 -0.000 3.263) 3.319 13.658 ( -4.347 -0.000 0.114) 4.348 13.708 ( -2.532 -0.000 1.681) 3.039 14.343 ( -6.209 -0.000 -8.686) 10.677 14.436 ( 2.177 0.000 -1.117) 2.447 14.591 ( -5.210 -0.000 -12.996) 14.001 14.778 ( 3.342 0.000 2.611) 4.241 15.020 ( -4.905 -0.000 -1.379) 5.096 15.233 ( -3.637 -0.000 -7.839) 8.641 15.391 ( 0.810 0.000 2.414) 2.546 15.928 ( 9.292 0.000 11.972) 15.155 16.437 ( -5.302 -0.000 -0.133) 5.304 16.479 ( -1.672 -0.000 -2.741) 3.210 16.963 ( 0.773 0.000 -3.193) 3.286 16.978 ( 1.716 0.000 2.084) 2.699 17.122 ( -6.745 -0.000 -4.646) 8.190 17.427 ( -2.042 -0.000 6.660) 6.966 19.426 ( 3.276 0.000 0.690) 3.348 19.701 ( 9.215 0.000 5.601) 10.783 20.989 ( -2.638 -0.000 0.836) 2.767 21.127 ( 1.459 0.000 -0.829) 1.678 21.788 ( -2.691 -0.000 2.111) 3.421 21.831 ( 1.568 0.000 -5.430) 5.652 23.150 ( -1.129 -0.000 3.943) 4.102 23.251 ( 1.721 0.000 -2.994) 3.453 26.817 ( -0.985 -0.000 -0.419) 1.071 26.821 ( -0.893 -0.000 -0.453) 1.001 29.222 ( -2.099 -0.000 -0.233) 2.112 29.329 ( -0.794 -0.000 0.567) 0.976 29.963 ( -26.590 -0.000 -38.862) 47.088 30.185 ( -4.169 -0.000 11.437) 12.173 30.352 ( -2.650 -0.000 -3.797) 4.630 30.547 ( -2.112 -0.000 6.358) 6.700 31.069 ( 0.931 0.000 -1.007) 1.372 31.217 ( -2.655 -0.000 9.403) 9.771 31.796 ( -5.127 -0.000 -1.764) 5.422 31.849 ( -3.932 -0.000 3.631) 5.352 31.989 ( -0.708 -0.000 1.830) 1.962 32.090 ( 0.294 0.000 -1.169) 1.205 33.068 ( 1.651 0.000 0.184) 1.661 33.479 ( 7.704 0.000 -7.444) 10.713 34.965 ( -2.401 -0.000 3.520) 4.261 34.996 ( -1.200 -0.000 1.713) 2.092 35.155 ( 1.647 0.000 -3.957) 4.286 35.290 ( 2.089 0.000 -0.671) 2.194 35.348 ( 1.671 0.000 -3.612) 3.980 35.466 ( 0.313 0.000 10.674) 10.679 37.464 ( 3.439 0.000 -22.885) 23.142 38.048 ( 16.178 0.000 28.371) 32.660 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -11.057 -30.012 8.087) 32.990 1.207 ( -24.745 -9.718 12.769) 29.493 1.573 ( -27.543 -13.922 19.385) 36.445 2.006 ( -1.452 -1.939 -8.262) 8.610 2.149 ( 7.632 -2.121 5.274) 9.516 2.262 ( -15.306 -3.351 -6.392) 16.922 2.620 ( 5.098 5.960 -0.073) 7.843 2.698 ( -0.637 6.303 -5.348) 8.290 2.835 ( 5.435 -6.447 -0.602) 8.454 3.000 ( 0.341 -1.428 -2.112) 2.572 3.060 ( 3.005 -3.764 -5.385) 7.225 3.247 ( 0.523 2.764 2.757) 3.939 3.402 ( 1.783 1.479 3.512) 4.207 3.676 ( 0.690 5.606 -5.009) 7.550 3.759 ( 4.813 -2.075 4.080) 6.642 3.838 ( 1.032 0.330 -4.274) 4.409 4.180 ( -2.792 4.417 -7.290) 8.969 4.268 ( 4.195 2.895 0.895) 5.175 4.339 ( 1.312 -0.233 6.182) 6.324 4.508 ( -1.780 1.766 -2.628) 3.632 4.732 ( 0.248 -9.186 2.081) 9.422 4.907 ( -3.298 3.748 -0.325) 5.002 4.987 ( -6.380 2.163 5.180) 8.498 5.216 ( 1.437 2.427 0.648) 2.894 5.325 ( -1.253 1.755 -4.657) 5.132 5.418 ( -1.901 -1.582 5.000) 5.578 5.497 ( -2.064 -2.988 -6.878) 7.778 5.640 ( 0.062 0.730 -6.386) 6.428 6.058 ( -0.912 7.210 -1.966) 7.528 6.235 ( 1.196 2.531 -2.874) 4.012 7.399 ( 3.377 0.124 11.856) 12.329 7.538 ( 4.315 4.364 13.896) 15.191 7.901 ( -0.025 3.508 -1.060) 3.665 7.983 ( 3.045 -2.211 -1.982) 4.253 8.748 ( 0.583 0.637 -0.955) 1.288 8.839 ( -7.237 1.469 2.248) 7.719 8.890 ( -3.403 -0.455 3.605) 4.978 9.045 ( 1.373 2.361 0.540) 2.784 9.200 ( -7.985 1.499 -1.114) 8.201 9.383 ( -7.010 2.634 -11.039) 13.339 9.556 ( 2.280 0.144 3.008) 3.778 9.656 ( 0.900 -0.604 -3.129) 3.311 9.986 ( 1.360 1.837 7.310) 7.659 10.120 ( 5.322 -0.199 0.470) 5.347 10.527 ( -3.631 8.393 5.958) 10.914 10.674 ( 2.584 8.764 -4.974) 10.403 11.197 ( -1.848 -6.697 -7.948) 10.557 11.232 ( -0.790 0.881 1.241) 1.715 11.388 ( -1.683 0.422 -2.901) 3.380 11.551 ( -2.593 -0.338 -2.964) 3.953 11.758 ( -1.291 3.871 2.386) 4.727 11.856 ( 3.066 0.727 7.453) 8.091 11.944 ( -9.195 3.507 2.531) 10.161 12.299 ( -0.975 -3.004 -6.547) 7.269 12.438 ( 1.131 0.914 -0.475) 1.530 12.545 ( 3.094 6.694 4.550) 8.665 12.788 ( 4.116 2.098 -3.612) 5.864 13.044 ( 0.504 3.800 -4.642) 6.020 13.310 ( -0.091 -0.241 -2.758) 2.770 13.483 ( 2.969 -5.026 8.731) 10.503 13.666 ( 1.057 -3.073 -0.262) 3.260 13.719 ( -2.415 -3.386 -1.045) 4.288 14.150 ( -7.105 5.048 -5.310) 10.206 14.454 ( -0.789 2.558 -0.583) 2.739 14.678 ( -1.032 -13.811 0.294) 13.853 15.002 ( 2.913 -11.448 0.847) 11.843 15.184 ( 6.183 -12.316 -8.192) 16.032 15.238 ( -0.911 -13.385 -12.767) 18.520 15.494 ( 3.973 -4.348 9.846) 11.473 16.072 ( 4.552 -0.012 6.523) 7.954 16.403 ( -0.140 1.119 -2.497) 2.740 16.461 ( -0.307 -8.294 -7.462) 11.161 16.929 ( 0.074 1.067 -4.397) 4.525 17.042 ( 2.363 -3.641 3.243) 5.418 17.102 ( -4.081 -4.078 -2.458) 6.271 17.443 ( -3.898 -0.999 4.933) 6.366 19.507 ( 4.897 -4.216 3.334) 7.272 19.758 ( 6.166 2.464 4.107) 7.808 20.840 ( -2.918 12.579 1.807) 13.039 21.009 ( 0.941 11.811 -2.580) 12.126 21.850 ( -7.063 -9.410 1.723) 11.891 21.955 ( 1.756 -12.895 -4.755) 13.856 23.117 ( -2.111 4.399 3.186) 5.827 23.213 ( 2.045 4.055 -3.635) 5.817 26.882 ( -0.937 -8.725 -0.449) 8.787 27.143 ( 9.903 -29.797 -9.942) 32.936 28.976 ( 0.146 20.230 2.264) 20.357 29.151 ( -2.428 17.489 1.602) 17.729 29.844 ( -11.312 -16.478 -5.893) 20.838 30.335 ( -3.864 -4.599 -0.296) 6.014 30.384 ( 0.025 -11.416 -0.975) 11.458 30.595 ( -5.921 -4.432 8.098) 10.967 31.101 ( 1.018 -2.872 -0.091) 3.049 31.302 ( -0.083 -5.997 2.974) 6.694 31.597 ( -4.408 9.892 0.601) 10.846 31.693 ( -1.881 13.671 1.031) 13.838 32.129 ( -0.924 -13.397 3.694) 13.927 32.302 ( 0.365 -15.069 0.147) 15.075 33.072 ( 1.381 1.128 -0.090) 1.786 33.458 ( 4.843 3.158 -8.117) 9.966 34.959 ( -1.718 0.582 3.028) 3.530 35.026 ( -2.713 -2.151 4.144) 5.400 35.132 ( 4.608 2.005 -1.566) 5.264 35.269 ( -0.117 0.539 -2.957) 3.008 35.417 ( 1.913 -4.342 -0.904) 4.830 35.504 ( -1.736 -0.379 6.474) 6.714 37.314 ( 8.664 9.120 -16.781) 20.972 37.938 ( -3.248 27.719 14.731) 31.557 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -6.610 -0.000 23.550) 24.460 0.967 ( -28.391 -0.000 16.026) 32.601 1.420 ( -21.972 -0.000 30.540) 37.623 1.889 ( -7.392 -0.000 -11.039) 13.285 2.017 ( -9.628 -0.000 -16.235) 18.875 2.243 ( 6.116 0.000 7.759) 9.879 2.741 ( 2.494 0.000 1.367) 2.844 2.753 ( -1.461 -0.000 -0.769) 1.651 2.828 ( 9.917 0.000 1.139) 9.983 3.001 ( 1.321 0.000 -2.063) 2.449 3.006 ( 5.588 0.000 -2.698) 6.205 3.306 ( 0.995 0.000 2.236) 2.447 3.470 ( 2.293 0.000 4.687) 5.217 3.749 ( 1.976 0.000 -1.370) 2.404 3.754 ( 4.254 0.000 -2.615) 4.994 3.803 ( -0.455 -0.000 -4.212) 4.236 4.162 ( -1.300 -0.000 -8.110) 8.214 4.358 ( 0.269 0.000 4.141) 4.150 4.359 ( 2.283 0.000 5.668) 6.111 4.464 ( -4.604 -0.000 -7.424) 8.735 4.629 ( -3.782 -0.000 2.548) 4.560 4.885 ( -4.905 -0.000 -0.490) 4.930 4.994 ( -9.162 -0.000 -4.586) 10.246 5.215 ( -8.192 -0.000 -6.731) 10.602 5.321 ( 7.595 0.000 0.561) 7.616 5.424 ( -5.749 -0.000 6.152) 8.420 5.435 ( 4.332 0.000 -4.999) 6.615 5.596 ( 0.653 0.000 -9.699) 9.721 6.106 ( -2.030 -0.000 -0.437) 2.076 6.251 ( -0.262 -0.000 -4.591) 4.598 7.518 ( 6.227 0.000 14.343) 15.636 7.739 ( 9.337 0.000 8.510) 12.633 7.923 ( -3.034 -0.000 -1.154) 3.246 7.946 ( 1.154 0.000 -2.992) 3.207 8.739 ( -1.690 -0.000 -0.608) 1.796 8.774 ( -10.460 -0.000 3.513) 11.034 8.923 ( 1.014 0.000 5.895) 5.981 9.067 ( -0.677 -0.000 -3.082) 3.156 9.144 ( -7.237 -0.000 -0.012) 7.237 9.295 ( -7.089 -0.000 -10.833) 12.946 9.596 ( -1.181 -0.000 -0.995) 1.544 9.610 ( 0.883 0.000 -1.081) 1.396 10.100 ( 8.111 0.000 9.511) 12.499 10.166 ( 4.557 0.000 0.080) 4.557 10.611 ( -3.991 -0.000 4.408) 5.946 10.751 ( -4.151 -0.000 -12.611) 13.276 10.988 ( -3.641 -0.000 -7.898) 8.697 11.258 ( -4.894 -0.000 3.118) 5.803 11.360 ( -0.412 -0.000 -5.051) 5.068 11.494 ( -2.989 -0.000 -8.929) 9.416 11.804 ( -3.633 -0.000 3.365) 4.952 11.917 ( 0.832 0.000 12.666) 12.693 11.991 ( 2.361 0.000 7.541) 7.902 12.232 ( 2.693 0.000 -4.534) 5.274 12.465 ( 2.530 0.000 -0.051) 2.531 12.624 ( 2.668 0.000 -4.284) 5.047 12.952 ( 5.134 0.000 -0.393) 5.149 13.040 ( -0.789 -0.000 -7.580) 7.621 13.300 ( 1.686 0.000 -3.529) 3.911 13.525 ( 9.894 0.000 11.876) 15.457 13.617 ( -1.515 -0.000 1.143) 1.898 13.635 ( -6.205 -0.000 -3.798) 7.275 14.165 ( 7.024 0.000 4.026) 8.097 14.442 ( 0.104 0.000 -0.676) 0.683 14.496 ( 1.808 0.000 -3.722) 4.138 14.878 ( 5.383 0.000 2.077) 5.770 14.946 ( -4.772 -0.000 0.910) 4.858 15.118 ( -0.465 -0.000 -6.279) 6.296 15.570 ( 7.601 0.000 13.478) 15.473 16.135 ( 3.025 0.000 6.211) 6.908 16.317 ( -7.782 -0.000 -1.400) 7.907 16.411 ( -1.630 -0.000 -4.715) 4.989 16.937 ( 1.108 0.000 -3.521) 3.692 17.009 ( -3.364 -0.000 -1.761) 3.797 17.039 ( 3.426 0.000 2.514) 4.249 17.413 ( -6.979 -0.000 3.193) 7.674 19.537 ( 5.967 0.000 5.408) 8.053 19.852 ( 2.391 0.000 3.266) 4.048 20.965 ( -1.887 -0.000 1.130) 2.200 21.120 ( 0.195 0.000 -2.668) 2.675 21.698 ( -10.106 -0.000 1.142) 10.171 21.812 ( 3.772 0.000 -5.102) 6.345 23.150 ( -3.690 -0.000 1.735) 4.077 23.241 ( 1.522 0.000 -3.310) 3.644 26.799 ( -0.593 -0.000 -0.469) 0.756 26.801 ( -0.728 -0.000 -0.760) 1.052 29.275 ( 2.052 0.000 3.207) 3.808 29.321 ( -1.008 -0.000 0.885) 1.341 29.639 ( 20.241 0.000 11.117) 23.092 30.212 ( -6.714 -0.000 8.307) 10.681 30.315 ( -0.162 -0.000 -2.233) 2.239 30.553 ( -5.974 -0.000 5.238) 7.945 31.080 ( 0.656 0.000 -0.792) 1.028 31.211 ( -8.100 -0.000 4.077) 9.068 31.740 ( -1.399 -0.000 1.530) 2.073 31.861 ( 0.484 0.000 3.008) 3.047 31.998 ( -0.860 -0.000 2.429) 2.577 32.091 ( 0.700 0.000 -0.142) 0.715 33.095 ( 1.769 0.000 -0.332) 1.800 33.474 ( 3.857 0.000 -9.118) 9.900 34.977 ( -1.931 -0.000 4.513) 4.909 35.010 ( -0.809 -0.000 3.348) 3.444 35.185 ( 6.062 0.000 -1.249) 6.189 35.292 ( 0.714 0.000 -2.531) 2.630 35.328 ( 1.565 0.000 -4.593) 4.852 35.516 ( -7.349 -0.000 6.783) 10.001 37.405 ( 16.769 0.000 -14.651) 22.268 38.203 ( -16.607 -0.000 -5.310) 17.435 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -4.116 -0.000 -17.831) 18.300 1.264 ( 4.116 0.000 17.831) 18.300 1.385 ( 4.378 0.000 -18.195) 18.714 1.385 ( -4.378 -0.000 18.195) 18.714 2.036 ( 5.844 0.000 -16.870) 17.853 2.036 ( -5.844 -0.000 16.870) 17.853 2.794 ( -1.630 -0.000 -0.533) 1.715 2.794 ( 1.630 0.000 0.533) 1.715 3.052 ( 2.017 0.000 -0.876) 2.199 3.052 ( -2.017 -0.000 0.876) 2.199 3.183 ( -3.042 -0.000 -5.602) 6.375 3.183 ( 3.042 0.000 5.602) 6.375 3.618 ( -1.818 -0.000 -1.932) 2.653 3.618 ( 1.818 0.000 1.932) 2.653 3.863 ( -3.935 -0.000 -1.358) 4.162 3.863 ( 3.935 0.000 1.358) 4.163 4.084 ( -2.206 -0.000 -1.265) 2.543 4.084 ( 2.206 0.000 1.265) 2.543 4.431 ( 1.763 0.000 -3.891) 4.271 4.431 ( -1.763 -0.000 3.891) 4.271 4.778 ( -1.063 -0.000 -6.307) 6.396 4.778 ( 1.063 0.000 6.307) 6.396 4.830 ( -8.121 -0.000 0.008) 8.121 4.830 ( 8.121 0.000 -0.008) 8.121 5.416 ( -2.171 -0.000 -0.729) 2.290 5.416 ( 2.171 0.000 0.729) 2.290 5.493 ( -7.465 -0.000 1.047) 7.538 5.493 ( 7.465 0.000 -1.047) 7.538 6.072 ( 1.329 0.000 -2.268) 2.628 6.072 ( -1.329 -0.000 2.268) 2.628 7.748 ( -1.639 -0.000 0.462) 1.703 7.748 ( 1.639 0.000 -0.462) 1.703 7.968 ( -1.259 -0.000 -2.032) 2.390 7.968 ( 1.259 0.000 2.032) 2.390 8.773 ( -1.205 -0.000 -4.336) 4.501 8.773 ( 1.205 0.000 4.336) 4.501 8.975 ( 0.658 0.000 -2.974) 3.046 8.975 ( -0.658 -0.000 2.974) 3.046 9.201 ( -1.754 -0.000 -0.386) 1.796 9.201 ( 1.754 0.000 0.386) 1.796 9.546 ( 3.618 0.000 -3.370) 4.945 9.546 ( -3.618 -0.000 3.370) 4.945 10.232 ( -6.500 -0.000 -1.769) 6.737 10.232 ( 6.500 0.000 1.769) 6.737 10.501 ( -10.735 -0.000 -0.575) 10.750 10.501 ( 10.735 0.000 0.575) 10.750 11.052 ( -2.232 -0.000 -10.430) 10.666 11.052 ( 2.232 0.000 10.430) 10.666 11.281 ( 0.822 0.000 -1.716) 1.903 11.281 ( -0.822 -0.000 1.716) 1.903 12.077 ( 2.047 0.000 -9.653) 9.868 12.077 ( -2.047 -0.000 9.653) 9.868 12.207 ( 7.338 0.000 -3.490) 8.126 12.207 ( -7.338 -0.000 3.490) 8.126 12.544 ( -2.515 -0.000 -2.024) 3.228 12.544 ( 2.515 0.000 2.024) 3.228 12.839 ( -6.522 -0.000 1.410) 6.673 12.839 ( 6.522 0.000 -1.410) 6.673 13.336 ( -4.053 -0.000 -3.686) 5.478 13.336 ( 4.053 0.000 3.686) 5.478 13.672 ( -0.796 -0.000 -1.397) 1.607 13.672 ( 0.796 0.000 1.397) 1.607 14.445 ( 1.514 0.000 -1.458) 2.102 14.445 ( -1.514 -0.000 1.458) 2.102 14.808 ( -14.593 -0.000 -6.844) 16.118 14.808 ( 14.593 0.000 6.844) 16.118 14.952 ( 1.434 0.000 -3.698) 3.966 14.952 ( -1.434 -0.000 3.698) 3.966 16.065 ( -8.469 -0.000 -4.670) 9.671 16.065 ( 8.469 0.000 4.670) 9.671 16.255 ( 1.242 0.000 -1.020) 1.607 16.255 ( -1.242 -0.000 1.020) 1.607 16.931 ( -1.957 -0.000 -1.440) 2.430 16.931 ( 1.957 0.000 1.440) 2.430 17.254 ( -9.421 -0.000 -3.630) 10.096 17.254 ( 9.421 0.000 3.630) 10.096 19.817 ( -5.759 -0.000 -3.555) 6.768 19.817 ( 5.759 0.000 3.555) 6.768 21.011 ( 0.256 0.000 -3.033) 3.044 21.011 ( -0.256 -0.000 3.033) 3.044 21.711 ( 7.679 0.000 -6.420) 10.009 21.711 ( -7.679 -0.000 6.420) 10.009 23.158 ( 2.845 0.000 -3.060) 4.179 23.158 ( -2.845 -0.000 3.060) 4.179 26.781 ( -0.191 -0.000 -0.025) 0.193 26.781 ( 0.191 0.000 0.025) 0.193 29.328 ( -0.091 -0.000 -0.557) 0.565 29.328 ( 0.091 0.000 0.557) 0.565 30.246 ( 5.222 0.000 -2.105) 5.631 30.246 ( -5.222 -0.000 2.105) 5.631 30.496 ( -32.228 -0.000 2.367) 32.315 30.496 ( 32.228 0.000 -2.367) 32.315 31.084 ( -4.226 -0.000 -1.215) 4.397 31.084 ( 4.226 0.000 1.215) 4.397 31.853 ( 0.248 0.000 -3.331) 3.340 31.853 ( -0.248 -0.000 3.331) 3.340 32.086 ( -0.418 -0.000 -1.361) 1.424 32.086 ( 0.418 0.000 1.361) 1.424 33.202 ( 1.066 0.000 -7.516) 7.591 33.202 ( -1.066 -0.000 7.516) 7.591 35.092 ( 1.010 0.000 -1.262) 1.617 35.092 ( -1.010 -0.000 1.262) 1.617 35.211 ( 0.343 0.000 -0.408) 0.533 35.211 ( -0.343 -0.000 0.408) 0.533 35.386 ( -12.177 -0.000 -2.926) 12.523 35.386 ( 12.177 0.000 2.926) 12.523 37.581 ( -35.085 -0.000 0.474) 35.089 37.581 ( 35.085 0.000 -0.474) 35.089 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.375 -11.057 -16.489) 19.901 1.462 ( 6.969 -19.395 -15.002) 25.491 1.548 ( 9.676 -6.750 13.247) 17.739 1.586 ( 1.432 -16.471 14.422) 21.940 2.010 ( 3.335 -1.821 -10.627) 11.286 2.136 ( 5.654 -3.958 7.379) 10.104 2.746 ( -4.295 2.202 -2.432) 5.404 2.808 ( 0.271 -1.406 -0.139) 1.439 2.983 ( -2.491 5.168 -2.999) 6.474 3.042 ( -1.622 -0.169 0.845) 1.837 3.118 ( -1.715 1.173 -7.323) 7.612 3.208 ( 2.530 3.060 3.094) 5.033 3.522 ( -3.753 5.430 -2.884) 7.203 3.604 ( 1.382 3.908 3.036) 5.138 3.811 ( -5.291 -0.944 -2.792) 6.057 3.893 ( -0.628 -0.784 -0.802) 1.285 4.012 ( -2.519 4.944 1.642) 5.787 4.123 ( 7.430 2.013 6.445) 10.039 4.389 ( -1.939 2.274 -5.486) 6.247 4.475 ( 0.726 -1.118 3.543) 3.785 4.776 ( -4.514 -2.979 3.189) 6.278 4.815 ( 5.428 0.946 -0.800) 5.568 4.899 ( -1.147 -10.493 1.925) 10.729 5.020 ( 12.042 -9.499 1.612) 15.422 5.340 ( -6.214 4.657 1.332) 7.879 5.410 ( 2.994 2.281 -0.077) 3.764 5.455 ( -6.070 -1.681 -0.354) 6.308 5.550 ( 5.199 -1.780 -1.818) 5.788 5.998 ( -2.239 7.350 1.121) 7.765 6.054 ( 3.031 3.889 3.204) 5.880 7.706 ( -0.316 4.069 1.025) 4.208 7.723 ( 1.491 2.237 0.344) 2.710 7.909 ( -6.140 2.138 -4.835) 8.102 8.032 ( 3.470 -2.958 0.948) 4.657 8.753 ( -1.241 -0.204 -2.959) 3.216 8.871 ( 6.644 -3.794 3.125) 8.264 8.962 ( -0.058 0.823 -2.518) 2.650 8.980 ( 0.874 -0.231 0.101) 0.910 9.155 ( -1.713 2.573 -1.986) 3.674 9.202 ( 2.338 0.999 -1.828) 3.131 9.567 ( -0.987 -2.256 2.948) 3.842 9.574 ( 2.107 -1.490 0.380) 2.608 10.125 ( -4.015 5.996 1.096) 7.299 10.208 ( 5.835 8.813 0.242) 10.573 10.408 ( -7.945 1.915 1.614) 8.330 10.546 ( 8.770 4.695 0.199) 9.949 11.037 ( -0.049 -6.046 -5.171) 7.956 11.115 ( -0.598 -0.156 7.894) 7.919 11.299 ( -0.395 -0.903 1.427) 1.734 11.343 ( 5.546 -4.451 0.435) 7.125 11.970 ( 0.217 5.751 -10.071) 11.599 12.033 ( -4.296 6.286 6.801) 10.210 12.163 ( -4.490 0.401 0.258) 4.515 12.213 ( 5.239 2.246 -3.544) 6.712 12.479 ( -5.044 1.480 -4.018) 6.617 12.551 ( 0.702 1.139 1.364) 1.910 12.789 ( -2.291 3.305 6.053) 7.267 12.817 ( 4.026 6.644 -0.787) 7.809 13.335 ( -3.358 -4.462 -2.851) 6.270 13.458 ( 6.569 -5.401 5.557) 10.159 13.675 ( -0.597 -0.507 -1.988) 2.136 13.710 ( 0.547 -2.400 2.014) 3.180 14.382 ( -7.295 2.239 -6.235) 9.854 14.456 ( 0.615 -2.337 0.452) 2.458 14.795 ( -9.967 -10.712 -6.784) 16.128 14.997 ( 1.248 -5.493 7.172) 9.119 14.999 ( -2.248 -7.350 3.103) 8.289 15.031 ( 4.348 -9.718 -1.482) 10.749 15.953 ( -4.263 1.439 -9.069) 10.124 16.096 ( 4.991 4.326 4.515) 8.001 16.273 ( 0.813 -0.320 -0.923) 1.271 16.303 ( -0.584 -4.203 4.539) 6.214 16.916 ( -2.769 -0.811 -2.319) 3.702 16.984 ( 2.491 -2.663 2.056) 4.186 17.224 ( -6.188 -5.823 -3.207) 9.082 17.374 ( 8.188 -3.043 2.607) 9.116 19.761 ( -5.533 -1.958 -4.355) 7.309 19.858 ( 2.542 0.838 1.090) 2.890 20.875 ( 1.554 12.127 -2.969) 12.581 20.900 ( -0.402 12.475 3.822) 13.053 21.825 ( -5.451 -12.856 6.004) 15.200 21.859 ( 7.126 -11.876 -5.267) 14.818 23.111 ( -2.497 5.055 3.974) 6.898 23.124 ( 4.323 4.625 -2.718) 6.890 26.892 ( -0.509 -12.171 -1.934) 12.334 26.935 ( 0.713 -15.435 3.823) 15.918 29.150 ( -2.456 17.869 -1.386) 18.090 29.184 ( 1.853 15.297 -0.570) 15.419 30.184 ( -16.109 -4.785 -2.011) 16.924 30.274 ( 1.004 -2.113 0.491) 2.391 30.414 ( -15.208 -9.158 0.302) 17.755 30.727 ( 20.313 -4.347 -8.904) 22.601 31.115 ( -0.301 -5.286 -1.062) 5.400 31.203 ( 10.363 -4.578 2.558) 11.614 31.644 ( -0.852 13.687 -2.132) 13.878 31.695 ( 4.710 12.644 -0.957) 13.527 32.273 ( -0.926 -15.589 -2.688) 15.846 32.311 ( 2.245 -15.777 -0.557) 15.945 33.147 ( 0.793 2.461 -5.802) 6.352 33.208 ( -1.636 3.058 8.101) 8.812 35.060 ( 0.244 1.508 -2.872) 3.253 35.087 ( 0.709 1.308 1.137) 1.872 35.230 ( -1.326 -2.726 -2.973) 4.246 35.271 ( -6.152 -3.196 2.655) 7.423 35.299 ( -4.793 -3.449 0.082) 5.905 35.485 ( 10.730 0.805 2.543) 11.057 37.240 ( -33.429 9.136 6.530) 35.265 37.711 ( 29.769 14.075 0.648) 32.935 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 8.117 -8.591 -11.062) 16.188 1.756 ( 6.449 -8.017 -6.398) 12.116 1.891 ( 7.915 -14.586 0.687) 16.609 1.964 ( -6.774 -19.083 6.712) 21.333 2.109 ( -1.720 -13.763 6.089) 15.148 2.340 ( 14.843 -8.354 -3.151) 17.322 2.629 ( -4.178 3.075 -7.492) 9.113 2.756 ( -3.965 5.003 -9.688) 11.602 2.946 ( 4.343 -2.014 3.008) 5.654 3.020 ( -3.431 -2.378 -1.521) 4.443 3.059 ( -2.552 2.451 -2.903) 4.577 3.178 ( 5.386 1.952 0.690) 5.771 3.419 ( -0.631 1.526 1.274) 2.085 3.543 ( -1.629 3.590 0.073) 3.943 3.798 ( -1.332 -0.661 -0.046) 1.488 3.855 ( -1.279 2.176 -0.298) 2.542 3.923 ( -0.777 5.674 3.254) 6.586 4.190 ( 6.903 1.594 8.535) 11.093 4.279 ( -1.784 3.843 -9.118) 10.054 4.478 ( -0.606 2.149 1.414) 2.643 4.784 ( -0.960 1.427 3.068) 3.517 4.867 ( 5.059 1.103 4.182) 6.655 5.064 ( -3.389 -7.209 -0.007) 7.966 5.195 ( -7.500 -1.037 0.504) 7.589 5.339 ( 9.528 -6.602 4.349) 12.381 5.410 ( 3.747 -2.943 -2.823) 5.538 5.456 ( -1.620 -1.176 0.454) 2.053 5.613 ( 4.431 -2.097 -1.620) 5.163 5.824 ( -4.649 8.608 1.291) 9.868 6.031 ( 2.668 3.705 5.343) 7.028 7.619 ( -1.535 4.914 -1.526) 5.370 7.683 ( -2.703 2.445 -6.902) 7.806 7.793 ( -3.351 2.975 1.128) 4.621 8.088 ( 1.785 -1.041 -0.311) 2.089 8.734 ( 1.131 0.492 -1.209) 1.727 8.838 ( -6.164 4.812 -2.551) 8.225 8.986 ( 2.882 -1.182 -1.777) 3.586 9.041 ( 5.742 0.843 3.510) 6.782 9.101 ( 2.064 1.660 1.384) 2.989 9.175 ( 1.408 1.622 -5.224) 5.649 9.610 ( -1.657 -1.401 0.002) 2.170 9.634 ( 1.033 -3.936 1.976) 4.523 10.024 ( 0.298 5.994 5.553) 8.176 10.062 ( 2.813 7.656 -2.169) 8.440 10.337 ( -2.614 3.626 3.564) 5.717 10.477 ( 6.059 7.356 -2.075) 9.753 11.148 ( -2.320 -1.500 3.433) 4.406 11.178 ( 3.071 -7.670 -0.422) 8.273 11.308 ( -0.706 0.506 1.398) 1.646 11.499 ( 5.790 -6.840 0.500) 8.975 11.828 ( 0.410 3.050 -6.776) 7.442 11.930 ( -1.935 4.837 4.073) 6.613 12.134 ( -2.679 -1.114 -2.887) 4.093 12.181 ( 2.128 2.680 -1.058) 3.582 12.401 ( -3.851 1.713 -1.298) 4.410 12.525 ( 0.839 3.456 -0.925) 3.675 12.712 ( 0.691 4.393 -0.954) 4.548 12.744 ( 0.226 5.488 7.588) 9.367 13.388 ( -4.229 -5.838 -1.851) 7.443 13.631 ( 5.111 -0.803 0.875) 5.247 13.660 ( 0.960 -3.889 1.949) 4.454 13.776 ( 2.634 -2.014 2.914) 4.415 14.230 ( -12.245 0.163 -12.252) 17.323 14.524 ( 1.402 -3.453 -2.562) 4.523 14.854 ( -2.083 -4.128 -0.062) 4.625 15.122 ( 4.244 -3.866 5.552) 7.986 15.203 ( -3.815 -8.795 4.011) 10.392 15.245 ( -1.807 -12.572 2.698) 12.984 15.885 ( -0.886 -3.045 -9.712) 10.217 16.085 ( 2.563 2.050 3.514) 4.808 16.224 ( -0.641 4.855 -2.231) 5.381 16.437 ( -1.831 -6.463 9.398) 11.552 16.901 ( -2.525 -1.769 -2.238) 3.810 17.067 ( 2.628 -2.813 2.612) 4.652 17.291 ( -3.385 -6.505 -3.875) 8.294 17.488 ( 4.057 -2.783 1.436) 5.125 19.771 ( -3.966 -6.017 -4.539) 8.517 19.847 ( -2.208 -0.615 -1.625) 2.810 20.633 ( 2.781 14.394 -2.357) 14.849 20.664 ( -0.450 15.184 4.004) 15.710 22.091 ( -2.390 -16.234 4.069) 16.906 22.124 ( 5.210 -14.534 -3.395) 15.809 22.995 ( -2.397 8.194 4.454) 9.630 23.041 ( 4.961 7.350 -1.810) 9.051 27.142 ( -1.250 -17.691 -3.121) 18.007 27.327 ( -0.414 -22.113 9.616) 24.117 28.720 ( -4.476 23.741 -3.027) 24.348 28.866 ( 3.670 20.774 -1.895) 21.180 30.234 ( -6.904 -12.085 -4.975) 14.781 30.346 ( -1.294 -4.835 2.364) 5.535 30.483 ( -8.729 -7.201 2.544) 11.599 30.850 ( 10.028 -2.033 -7.657) 12.780 31.213 ( 2.451 -3.433 -2.613) 4.962 31.314 ( -2.256 1.603 4.232) 5.056 31.432 ( 2.864 7.643 -0.233) 8.165 31.582 ( 13.216 3.370 -5.885) 14.854 32.516 ( -0.222 -14.029 -5.241) 14.978 32.584 ( 0.381 -13.482 -1.167) 13.537 33.076 ( 1.552 3.276 -3.098) 4.768 33.163 ( -1.762 5.101 7.807) 9.491 35.024 ( 0.299 0.996 -2.912) 3.092 35.061 ( -1.432 1.906 0.964) 2.572 35.216 ( -4.409 -1.201 1.557) 4.828 35.304 ( -1.310 -5.965 -6.886) 9.204 35.403 ( -0.635 -3.946 5.901) 7.127 35.547 ( 5.844 0.209 1.456) 6.027 36.882 ( -25.277 10.030 10.714) 29.229 37.566 ( 20.828 21.287 -3.648) 30.004 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.352 -5.240 -4.983) 9.625 1.830 ( 4.348 -3.722 -9.942) 11.472 2.064 ( -3.947 -0.422 6.280) 7.430 2.185 ( -10.465 -10.190 0.097) 14.607 2.304 ( 2.573 -2.084 2.137) 3.941 2.518 ( -5.493 -8.950 -1.052) 10.553 2.578 ( 2.612 0.040 -4.952) 5.599 2.756 ( 8.972 -8.964 -8.592) 15.319 2.888 ( 1.352 3.982 0.307) 4.216 2.927 ( 1.410 6.482 -3.126) 7.333 3.155 ( 0.133 -0.040 0.510) 0.529 3.286 ( 1.232 -11.493 4.150) 12.281 3.470 ( -1.396 0.228 -1.592) 2.129 3.517 ( 6.870 -6.354 2.519) 9.691 3.800 ( 1.614 4.792 -2.709) 5.737 3.824 ( 3.572 -0.751 3.100) 4.789 3.863 ( -0.018 2.222 8.150) 8.448 4.124 ( -6.024 3.078 -11.666) 13.486 4.249 ( 4.096 1.275 5.230) 6.764 4.441 ( -1.556 1.050 1.044) 2.148 4.763 ( -2.002 1.152 2.526) 3.422 4.847 ( 3.982 5.878 2.389) 7.491 5.100 ( -1.741 -1.190 -3.197) 3.830 5.170 ( -4.557 0.981 2.463) 5.272 5.425 ( 4.537 -0.456 2.572) 5.235 5.451 ( -3.047 -0.649 1.450) 3.436 5.582 ( 5.350 -2.848 -4.258) 7.407 5.659 ( -0.485 2.660 4.977) 5.664 5.730 ( 2.564 -6.737 -5.561) 9.104 6.024 ( -1.230 2.091 7.595) 7.973 7.487 ( -5.387 4.082 -2.217) 7.113 7.560 ( -0.925 4.020 -7.379) 8.454 7.733 ( -3.186 2.586 1.569) 4.393 8.127 ( 2.075 -2.088 -0.552) 2.995 8.708 ( -3.906 2.914 -1.075) 4.990 8.744 ( 3.324 0.956 0.251) 3.468 8.979 ( 2.377 3.958 2.302) 5.159 9.014 ( -2.988 0.258 -2.255) 3.753 9.106 ( 4.378 3.472 -2.569) 6.150 9.134 ( -0.038 1.065 0.773) 1.317 9.623 ( -2.417 -3.651 -1.738) 4.711 9.744 ( 2.357 -4.090 2.987) 5.586 9.887 ( 0.516 8.306 1.438) 8.446 10.074 ( 2.791 -2.059 2.770) 4.438 10.264 ( -2.100 4.517 2.053) 5.387 10.401 ( 4.538 3.400 -3.372) 6.597 11.173 ( -1.654 -1.212 1.884) 2.785 11.271 ( 2.991 2.963 0.111) 4.212 11.296 ( -1.350 -2.746 -0.216) 3.067 11.624 ( 2.451 -3.902 -3.012) 5.505 11.846 ( 0.848 -4.248 1.095) 4.469 11.899 ( 0.440 -0.746 2.302) 2.459 12.125 ( -0.758 0.216 0.031) 0.788 12.160 ( -0.649 -2.396 -5.324) 5.874 12.326 ( -1.559 5.252 3.009) 6.251 12.419 ( 0.232 6.723 -2.681) 7.242 12.691 ( 1.925 0.367 0.569) 2.041 12.699 ( 0.484 2.964 4.929) 5.772 13.461 ( -3.070 -6.026 1.343) 6.895 13.624 ( 1.069 0.010 -1.319) 1.698 13.783 ( 0.931 -2.640 1.352) 3.109 13.848 ( 4.150 -0.688 2.983) 5.157 14.076 ( -6.109 0.680 -10.365) 12.051 14.538 ( -1.701 -0.218 -1.828) 2.507 14.927 ( -0.532 -4.400 2.138) 4.921 15.167 ( -0.494 2.983 -1.806) 3.522 15.330 ( 1.488 -4.369 6.606) 8.058 15.433 ( 0.107 -8.362 3.236) 8.967 15.915 ( -3.250 -2.724 -7.719) 8.807 16.086 ( -0.434 -1.671 -5.356) 5.628 16.137 ( 2.673 3.252 5.338) 6.798 16.559 ( -1.598 -2.279 8.205) 8.665 16.909 ( -1.232 -1.393 -1.025) 2.123 17.157 ( 2.961 -3.201 3.648) 5.685 17.320 ( -2.940 -1.788 -5.187) 6.224 17.551 ( 0.900 -1.679 0.983) 2.144 19.825 ( -3.926 -4.577 -2.413) 6.494 19.890 ( -2.327 -8.478 -3.095) 9.320 20.396 ( 1.302 13.572 1.314) 13.698 20.435 ( 1.713 11.486 0.906) 11.648 22.371 ( 2.394 -13.684 -2.257) 14.074 22.401 ( -0.277 -14.653 2.202) 14.820 22.841 ( -2.180 9.666 3.927) 10.659 22.915 ( 3.709 9.546 -1.453) 10.344 27.454 ( -1.383 -20.375 -2.573) 20.584 27.751 ( -2.796 -19.456 10.252) 22.169 28.257 ( -2.834 23.029 -2.154) 23.302 28.518 ( 5.181 19.954 -3.627) 20.933 30.372 ( -1.079 -7.072 -3.656) 8.034 30.436 ( -2.560 -4.749 2.547) 5.966 30.587 ( -3.126 -8.570 3.397) 9.734 30.881 ( 6.270 1.028 -5.186) 8.201 31.138 ( -0.512 6.943 -0.466) 6.977 31.247 ( -4.298 3.700 -0.262) 5.677 31.457 ( 1.274 -4.630 3.656) 6.035 31.643 ( 11.960 -0.052 -6.796) 13.756 32.682 ( -0.923 -7.111 -3.734) 8.085 32.770 ( -1.473 -10.338 -3.817) 11.118 33.016 ( 0.905 5.694 3.110) 6.551 33.119 ( 0.731 1.830 3.371) 3.905 34.992 ( -0.732 0.810 -1.656) 1.984 35.030 ( -0.837 0.823 0.481) 1.269 35.242 ( 0.080 -1.911 2.758) 3.357 35.343 ( -1.842 -2.853 -5.722) 6.653 35.452 ( 1.810 0.695 1.062) 2.211 35.604 ( -0.826 -3.065 2.547) 4.069 36.650 ( -13.002 5.420 8.786) 16.601 37.316 ( 11.062 15.533 -5.019) 19.719 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 0.000 -0.000) 0.000 1.869 ( -0.000 0.000 0.000) 0.000 2.008 ( -0.000 0.000 0.000) 0.000 2.212 ( -0.000 0.000 0.000) 0.000 2.372 ( -0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.637 ( -0.000 -0.000 0.000) 0.000 2.798 ( -0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.924 ( -0.000 0.000 0.000) 0.000 3.174 ( -0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.553 ( -0.000 0.000 0.000) 0.000 3.637 ( -0.000 -0.000 -0.000) 0.000 3.735 ( -0.000 0.000 0.000) 0.000 3.861 ( -0.000 0.000 0.000) 0.000 3.915 ( -0.000 0.000 -0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.267 ( -0.000 0.000 0.000) 0.000 4.431 ( -0.000 0.000 0.000) 0.000 4.752 ( -0.000 0.000 0.000) 0.000 4.803 ( -0.000 0.000 0.000) 0.000 5.089 ( -0.000 0.000 -0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.468 ( -0.000 -0.000 0.000) 0.000 5.581 ( -0.000 0.000 0.000) 0.000 5.637 ( -0.000 0.000 -0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.013 ( -0.000 0.000 0.000) 0.000 7.426 ( -0.000 0.000 0.000) 0.000 7.479 ( -0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 8.159 ( -0.000 0.000 0.000) 0.000 8.669 ( -0.000 0.000 0.000) 0.000 8.740 ( -0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 8.988 ( -0.000 0.000 -0.000) 0.000 9.081 ( -0.000 -0.000 -0.000) 0.000 9.118 ( -0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.756 ( -0.000 -0.000 0.000) 0.000 9.844 ( -0.000 0.000 0.000) 0.000 10.138 ( -0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.385 ( -0.000 0.000 0.000) 0.000 11.184 ( -0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 -0.000) 0.000 11.318 ( -0.000 0.000 0.000) 0.000 11.659 ( -0.000 0.000 0.000) 0.000 11.876 ( -0.000 0.000 0.000) 0.000 11.965 ( -0.000 0.000 -0.000) 0.000 12.117 ( -0.000 -0.000 -0.000) 0.000 12.183 ( -0.000 0.000 0.000) 0.000 12.260 ( -0.000 0.000 0.000) 0.000 12.329 ( -0.000 0.000 0.000) 0.000 12.693 ( -0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 -0.000) 0.000 13.534 ( -0.000 -0.000 -0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.875 ( -0.000 0.000 0.000) 0.000 14.034 ( -0.000 0.000 0.000) 0.000 14.522 ( -0.000 0.000 0.000) 0.000 14.999 ( -0.000 0.000 0.000) 0.000 15.090 ( -0.000 -0.000 0.000) 0.000 15.398 ( 0.000 0.000 0.000) 0.000 15.555 ( -0.000 0.000 0.000) 0.000 15.840 ( 0.000 -0.000 0.000) 0.000 16.113 ( -0.000 0.000 0.000) 0.000 16.148 ( -0.000 0.000 0.000) 0.000 16.589 ( -0.000 0.000 0.000) 0.000 16.915 ( -0.000 0.000 -0.000) 0.000 17.256 ( -0.000 0.000 -0.000) 0.000 17.261 ( 0.000 -0.000 0.000) 0.000 17.573 ( -0.000 0.000 0.000) 0.000 19.851 ( -0.000 0.000 0.000) 0.000 19.986 ( -0.000 0.000 0.000) 0.000 20.248 ( -0.000 -0.000 -0.000) 0.000 20.333 ( -0.000 0.000 0.000) 0.000 22.534 ( -0.000 0.000 -0.000) 0.000 22.604 ( -0.000 -0.000 0.000) 0.000 22.698 ( -0.000 0.000 0.000) 0.000 22.796 ( -0.000 0.000 -0.000) 0.000 27.799 ( 0.000 0.000 0.000) 0.000 27.830 ( -0.000 -0.000 -0.000) 0.000 28.050 ( -0.000 0.000 0.000) 0.000 28.268 ( 0.000 0.000 0.000) 0.000 30.413 ( -0.000 0.000 0.000) 0.000 30.480 ( -0.000 0.000 0.000) 0.000 30.698 ( -0.000 0.000 0.000) 0.000 30.873 ( -0.000 0.000 0.000) 0.000 31.065 ( -0.000 0.000 0.000) 0.000 31.176 ( -0.000 0.000 0.000) 0.000 31.533 ( 0.000 0.000 0.000) 0.000 31.663 ( -0.000 0.000 0.000) 0.000 32.722 ( -0.000 0.000 0.000) 0.000 32.899 ( -0.000 -0.000 -0.000) 0.000 32.921 ( 0.000 0.000 0.000) 0.000 33.127 ( -0.000 0.000 0.000) 0.000 34.977 ( 0.000 0.000 -0.000) 0.000 35.021 ( -0.000 0.000 0.000) 0.000 35.303 ( -0.000 0.000 -0.000) 0.000 35.306 ( 0.000 -0.000 0.000) 0.000 35.455 ( -0.000 0.000 0.000) 0.000 35.640 ( -0.000 0.000 0.000) 0.000 36.581 ( -0.000 0.000 0.000) 0.000 37.196 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 5.212 0.000 -22.204) 22.807 1.329 ( 17.301 0.000 -15.843) 23.459 1.604 ( 13.409 0.000 12.474) 18.314 1.623 ( 5.417 0.000 18.640) 19.411 1.991 ( 16.239 0.000 -21.008) 26.553 2.167 ( 2.690 0.000 9.910) 10.269 2.739 ( -5.306 -0.000 1.675) 5.564 2.783 ( -3.495 -0.000 -0.225) 3.503 2.991 ( -3.873 -0.000 -5.860) 7.024 3.012 ( -3.247 -0.000 -4.616) 5.644 3.048 ( -2.057 -0.000 -8.394) 8.642 3.279 ( 2.765 0.000 3.932) 4.807 3.553 ( -3.166 -0.000 -2.759) 4.199 3.650 ( -1.388 -0.000 3.320) 3.598 3.779 ( -3.271 -0.000 0.830) 3.375 3.808 ( -3.433 -0.000 -6.022) 6.932 4.045 ( -5.633 -0.000 2.344) 6.101 4.238 ( 4.688 0.000 11.470) 12.391 4.414 ( -0.221 -0.000 -1.659) 1.674 4.435 ( -1.050 -0.000 0.809) 1.325 4.676 ( -2.679 -0.000 -0.351) 2.702 4.880 ( 7.191 0.000 5.647) 9.143 4.891 ( 10.740 0.000 -1.276) 10.816 5.075 ( 11.971 0.000 5.451) 13.154 5.351 ( -4.805 -0.000 -1.774) 5.122 5.370 ( -8.029 -0.000 1.088) 8.102 5.454 ( 0.969 0.000 2.839) 3.000 5.539 ( 3.323 0.000 -4.239) 5.386 6.091 ( 1.450 0.000 0.700) 1.610 6.119 ( 0.153 0.000 6.892) 6.893 7.717 ( -3.634 -0.000 -2.681) 4.516 7.792 ( 1.838 0.000 2.158) 2.835 7.921 ( 1.040 0.000 -2.203) 2.436 7.953 ( -2.500 -0.000 -3.090) 3.975 8.752 ( 0.743 0.000 -2.278) 2.396 8.908 ( 9.794 0.000 -5.630) 11.297 8.952 ( 1.979 0.000 4.737) 5.134 8.990 ( 1.587 0.000 0.615) 1.702 9.173 ( -0.578 -0.000 1.074) 1.220 9.201 ( 2.232 0.000 -5.350) 5.797 9.552 ( -1.755 -0.000 4.477) 4.809 9.597 ( 4.889 0.000 -0.497) 4.914 10.149 ( -5.196 -0.000 1.446) 5.393 10.279 ( -4.483 -0.000 -7.686) 8.898 10.458 ( 4.538 0.000 13.014) 13.783 10.650 ( 7.973 0.000 -0.591) 7.995 10.945 ( -0.343 -0.000 -3.772) 3.788 11.190 ( -2.313 -0.000 11.508) 11.738 11.309 ( 5.344 0.000 -1.960) 5.692 11.344 ( 6.147 0.000 3.678) 7.163 11.956 ( -2.578 -0.000 -9.422) 9.768 12.092 ( -5.768 -0.000 4.339) 7.218 12.113 ( -5.805 -0.000 -1.895) 6.106 12.249 ( 6.907 0.000 -11.206) 13.164 12.439 ( -6.299 -0.000 0.600) 6.327 12.558 ( -1.743 -0.000 0.699) 1.878 12.841 ( -1.292 -0.000 8.970) 9.062 12.931 ( 3.080 0.000 0.807) 3.184 13.281 ( -0.830 -0.000 -0.793) 1.148 13.495 ( 8.003 0.000 6.494) 10.307 13.643 ( -0.574 -0.000 -1.086) 1.228 13.681 ( -0.893 -0.000 -1.192) 1.489 14.363 ( -23.222 -0.000 -12.487) 26.367 14.437 ( -1.874 -0.000 1.789) 2.591 14.445 ( 0.208 0.000 -1.093) 1.112 14.909 ( -1.639 -0.000 -1.058) 1.951 14.982 ( 4.879 0.000 -1.834) 5.212 14.988 ( -0.564 -0.000 5.499) 5.528 15.856 ( -6.544 -0.000 -12.079) 13.738 16.203 ( 2.965 0.000 0.075) 2.966 16.287 ( 4.548 0.000 1.075) 4.673 16.291 ( 1.148 0.000 5.753) 5.867 16.898 ( -0.909 -0.000 -0.080) 0.912 16.979 ( 2.244 0.000 1.351) 2.619 17.097 ( -5.636 -0.000 -2.894) 6.336 17.430 ( 8.457 0.000 1.664) 8.619 19.663 ( -6.897 -0.000 -5.684) 8.937 19.894 ( 0.980 0.000 -0.136) 0.989 20.998 ( 1.718 0.000 -2.061) 2.683 21.052 ( 0.528 0.000 3.408) 3.448 21.684 ( -5.542 -0.000 6.912) 8.860 21.770 ( 8.008 0.000 -4.778) 9.325 23.164 ( -1.624 -0.000 3.678) 4.021 23.187 ( 4.424 0.000 -1.994) 4.852 26.786 ( 0.497 0.000 0.513) 0.714 26.790 ( 0.583 0.000 0.353) 0.682 29.325 ( 0.847 0.000 -1.711) 1.909 29.339 ( 1.284 0.000 -0.590) 1.413 29.868 ( -29.714 -0.000 -7.762) 30.711 30.275 ( 1.052 0.000 0.255) 1.083 30.278 ( -0.897 -0.000 0.542) 1.048 30.753 ( 12.060 0.000 -10.837) 16.213 31.063 ( -0.426 -0.000 0.654) 0.781 31.283 ( 19.249 0.000 -2.147) 19.368 31.829 ( 3.918 0.000 -6.653) 7.721 31.890 ( 2.417 0.000 0.008) 2.417 32.064 ( 1.050 0.000 -3.250) 3.415 32.103 ( 2.277 0.000 -2.074) 3.080 33.142 ( 0.651 0.000 -5.323) 5.363 33.268 ( -2.973 -0.000 9.248) 9.714 35.080 ( 0.493 0.000 -2.273) 2.325 35.081 ( 2.031 0.000 -4.667) 5.089 35.181 ( -10.976 -0.000 -0.575) 10.991 35.224 ( -1.008 -0.000 3.243) 3.396 35.224 ( -1.691 -0.000 4.023) 4.363 35.587 ( 9.884 0.000 0.949) 9.930 37.114 ( -32.641 -0.000 12.024) 34.785 38.082 ( 23.590 0.000 5.195) 24.155 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 9.524 -20.120 -15.825) 27.312 1.481 ( 17.224 -10.723 -13.257) 24.237 1.772 ( 4.143 -4.269 12.212) 13.584 1.874 ( 7.798 -7.054 13.657) 17.236 2.010 ( 14.665 -1.440 -13.759) 20.160 2.311 ( 9.792 -6.143 1.006) 11.603 2.666 ( -2.146 5.241 -1.333) 5.818 2.729 ( -4.246 1.871 -6.176) 7.724 2.894 ( -3.920 -1.865 -6.859) 8.117 2.990 ( -1.583 -2.004 0.426) 2.589 3.011 ( -2.952 -0.380 -4.557) 5.443 3.275 ( 2.332 3.913 0.821) 4.628 3.452 ( -2.640 3.687 -1.240) 4.701 3.620 ( -2.018 6.133 1.429) 6.612 3.735 ( -3.378 -4.323 0.141) 5.488 3.846 ( -0.389 -1.728 -0.726) 1.914 4.005 ( -2.914 2.046 4.781) 5.961 4.280 ( -1.120 3.466 4.749) 5.986 4.357 ( 0.888 3.586 4.055) 5.486 4.474 ( -1.905 -2.041 -1.796) 3.319 4.746 ( -2.139 -6.979 1.835) 7.526 4.922 ( 7.192 2.633 -1.800) 7.868 5.001 ( 8.004 -1.622 4.996) 9.574 5.181 ( 4.445 1.668 0.499) 4.774 5.289 ( -0.971 -3.369 1.108) 3.677 5.368 ( -2.733 -2.783 1.482) 4.172 5.470 ( 1.721 0.713 2.411) 3.047 5.576 ( 2.950 -2.789 -2.511) 4.774 6.006 ( -0.332 9.729 2.931) 10.166 6.139 ( 0.739 2.784 5.464) 6.177 7.638 ( -4.912 2.015 -8.091) 9.677 7.733 ( 1.567 6.133 -3.441) 7.205 7.852 ( 0.609 3.679 2.098) 4.278 8.004 ( -3.945 -4.348 -3.889) 7.043 8.746 ( -1.235 -0.380 -0.716) 1.478 8.900 ( 2.666 6.395 -0.847) 6.980 8.945 ( 2.578 -2.222 -3.875) 5.158 9.087 ( 4.166 -2.434 1.486) 5.049 9.170 ( 3.858 1.826 -0.075) 4.269 9.194 ( 2.809 0.953 2.088) 3.627 9.583 ( -0.251 -1.380 1.518) 2.067 9.625 ( 2.825 0.192 -0.387) 2.858 10.086 ( -4.553 2.517 1.869) 5.528 10.168 ( -2.499 3.727 -7.428) 8.678 10.472 ( 2.539 7.542 10.026) 12.800 10.654 ( 6.169 6.438 -2.324) 9.215 11.039 ( 1.789 -9.499 3.579) 10.308 11.174 ( -2.304 3.135 6.710) 7.757 11.358 ( 5.502 0.229 0.707) 5.552 11.460 ( 6.579 -3.683 3.439) 8.288 11.850 ( -1.866 3.942 -6.938) 8.195 12.005 ( -2.383 4.516 -1.866) 5.437 12.069 ( -3.798 -0.142 -4.744) 6.079 12.230 ( 2.699 -0.100 -4.158) 4.958 12.389 ( -3.424 1.417 2.995) 4.764 12.560 ( -0.566 0.166 0.336) 0.678 12.815 ( -1.986 8.963 -3.156) 9.708 12.870 ( -0.106 2.562 9.922) 10.248 13.282 ( -1.776 -1.759 -0.228) 2.510 13.621 ( 4.363 -3.954 2.528) 6.407 13.663 ( 2.335 0.227 -1.217) 2.643 13.700 ( -3.242 -6.232 -1.857) 7.266 14.129 ( -7.086 3.167 -4.589) 9.016 14.459 ( 0.457 -2.843 -0.756) 2.977 14.672 ( -2.216 -17.470 0.098) 17.610 14.992 ( -4.033 -11.219 4.046) 12.590 15.053 ( 0.929 -6.436 -0.997) 6.579 15.072 ( 0.338 -5.472 5.928) 8.074 15.757 ( -4.765 -2.059 -13.212) 14.195 16.177 ( 0.766 2.765 -1.891) 3.436 16.312 ( 0.817 2.140 5.256) 5.734 16.348 ( 1.802 -2.062 3.794) 4.679 16.875 ( -0.500 0.919 0.319) 1.094 17.039 ( 2.298 -3.224 1.822) 4.358 17.124 ( -2.770 -6.753 -2.676) 7.774 17.497 ( 5.306 -0.808 -0.084) 5.368 19.612 ( -5.916 -3.789 -5.708) 9.052 19.845 ( -3.033 3.122 -3.155) 5.376 20.881 ( 2.793 11.759 -2.139) 12.274 20.939 ( -0.432 12.756 3.806) 13.319 21.826 ( -3.194 -13.452 6.019) 15.079 21.919 ( 6.746 -11.101 -3.546) 13.465 23.126 ( -1.830 5.081 4.247) 6.871 23.171 ( 4.357 4.198 -2.047) 6.388 26.879 ( 0.532 -9.998 -0.382) 10.019 26.985 ( -1.393 -18.452 5.008) 19.170 29.059 ( -4.870 20.478 -3.899) 21.407 29.201 ( 2.763 14.883 -2.456) 15.336 29.877 ( -6.664 -17.030 -5.202) 19.013 30.295 ( 0.087 -1.979 2.256) 3.002 30.345 ( -2.246 -5.475 2.294) 6.347 30.809 ( 7.328 -4.330 -8.962) 12.359 31.104 ( -1.436 -4.623 -0.029) 4.841 31.410 ( 13.906 0.686 -4.282) 14.566 31.631 ( 3.183 12.997 -3.224) 13.764 31.757 ( 7.941 10.601 -6.026) 14.552 32.228 ( 0.762 -14.628 -4.945) 15.461 32.324 ( 1.791 -15.080 -2.880) 15.456 33.108 ( 1.456 1.336 -4.047) 4.503 33.265 ( -4.166 2.933 9.284) 10.590 35.031 ( 0.302 1.595 -3.420) 3.786 35.080 ( -3.773 1.540 1.070) 4.213 35.148 ( -1.285 -4.663 -4.259) 6.444 35.204 ( -1.223 -0.088 2.313) 2.618 35.322 ( -2.909 -5.840 5.875) 8.780 35.627 ( 5.894 2.187 -2.209) 6.664 36.916 ( -24.997 6.049 18.645) 31.766 38.070 ( 14.262 18.593 -0.743) 23.445 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 12.754 -9.627 -8.229) 17.974 1.725 ( 10.278 -7.320 -12.006) 17.417 1.893 ( -8.484 -6.985 4.558) 11.897 2.047 ( -7.240 -5.672 10.719) 14.124 2.230 ( 12.893 -12.620 0.307) 18.044 2.413 ( 5.384 0.984 -10.602) 11.931 2.578 ( 3.414 2.106 -3.564) 5.366 2.669 ( 7.280 -4.052 -6.702) 10.692 2.956 ( 0.855 1.823 -0.202) 2.023 2.995 ( 1.194 0.350 -1.493) 1.944 3.046 ( 0.153 -11.810 2.163) 12.008 3.220 ( 0.389 2.517 0.572) 2.611 3.452 ( 1.958 -5.014 0.195) 5.386 3.503 ( -2.214 5.359 1.480) 5.985 3.777 ( -6.779 -3.681 -0.467) 7.728 3.852 ( 2.002 1.487 -3.242) 4.090 3.982 ( 5.142 3.937 9.085) 11.157 4.168 ( -3.599 6.342 -2.412) 7.680 4.346 ( 0.617 3.160 5.705) 6.551 4.438 ( -4.121 1.128 -1.120) 4.417 4.783 ( -2.774 2.120 1.178) 3.685 4.968 ( -2.400 -6.125 -2.282) 6.963 5.040 ( 3.696 6.646 3.789) 8.497 5.151 ( 2.399 -0.456 0.458) 2.485 5.399 ( 0.252 -5.516 -1.074) 5.625 5.463 ( 1.321 -0.957 -1.530) 2.236 5.520 ( 7.415 -6.002 3.093) 10.028 5.623 ( 0.908 -2.341 -2.910) 3.844 5.822 ( -0.128 11.405 4.360) 12.211 6.103 ( -2.180 3.710 5.935) 7.330 7.507 ( -2.365 3.282 -7.202) 8.260 7.614 ( 2.104 5.170 -6.555) 8.609 7.781 ( -2.887 5.411 2.009) 6.453 8.022 ( -5.240 -5.487 -3.764) 8.469 8.706 ( -4.970 2.101 -0.997) 5.487 8.820 ( 3.460 3.662 1.378) 5.223 8.970 ( -0.647 -0.284 -2.871) 2.957 9.067 ( -1.432 3.660 -5.509) 6.768 9.167 ( 7.070 2.610 1.521) 7.688 9.249 ( 5.746 2.653 6.983) 9.425 9.576 ( -2.134 0.690 -0.217) 2.253 9.665 ( 0.681 -4.601 -0.669) 4.699 10.022 ( -0.308 5.490 -5.435) 7.731 10.083 ( -0.691 -1.187 4.344) 4.556 10.384 ( 0.151 7.858 5.263) 9.459 10.532 ( 5.187 8.318 -4.593) 10.825 11.147 ( -2.672 -0.278 2.944) 3.986 11.240 ( -0.608 -5.606 5.418) 7.820 11.366 ( 4.843 3.394 0.810) 5.969 11.589 ( 6.471 -3.550 0.682) 7.412 11.769 ( -0.951 -1.086 -2.276) 2.695 11.911 ( -0.909 1.871 -4.748) 5.184 12.037 ( 0.154 -1.369 -5.509) 5.679 12.217 ( -0.170 3.425 3.996) 5.266 12.376 ( -2.090 1.277 2.453) 3.467 12.500 ( -0.043 5.011 -4.273) 6.586 12.713 ( 1.291 0.088 1.483) 1.969 12.846 ( 0.983 6.216 8.009) 10.186 13.322 ( -3.986 -5.211 0.594) 6.587 13.631 ( 0.726 0.774 -1.211) 1.610 13.710 ( -3.666 -4.376 -2.576) 6.263 13.842 ( 5.223 -8.739 -0.941) 10.224 14.032 ( 0.229 5.084 1.388) 5.275 14.499 ( 0.550 -1.287 -4.313) 4.534 14.874 ( 2.841 -5.760 1.439) 6.582 15.158 ( -2.786 -5.728 1.249) 6.491 15.226 ( -5.569 -10.859 5.187) 13.260 15.268 ( 2.748 -9.965 7.622) 12.843 15.731 ( -3.713 -6.844 -10.299) 12.911 16.095 ( 0.566 4.591 -5.559) 7.232 16.279 ( 2.762 5.078 5.701) 8.119 16.469 ( -5.664 -8.217 7.911) 12.735 16.884 ( 0.652 -0.964 1.198) 1.671 17.133 ( 2.164 -3.995 2.114) 5.011 17.204 ( -1.577 -5.256 -3.788) 6.667 17.533 ( 1.568 -0.896 -1.366) 2.264 19.649 ( -4.177 -7.899 -5.113) 10.294 19.756 ( -5.006 -0.771 -3.961) 6.429 20.660 ( 3.706 13.806 -1.983) 14.432 20.700 ( -0.863 15.041 3.871) 15.555 22.109 ( -1.346 -16.015 4.120) 16.592 22.170 ( 4.655 -13.260 -2.487) 14.272 23.013 ( -2.214 8.434 4.597) 9.857 23.084 ( 3.118 7.358 -2.688) 8.431 27.115 ( 0.586 -16.023 -0.926) 16.061 27.382 ( -7.162 -23.020 8.883) 25.693 28.633 ( -0.855 22.099 -2.625) 22.271 28.881 ( 3.094 20.129 -4.546) 20.866 30.168 ( 5.615 -15.100 -0.973) 16.140 30.358 ( -1.130 -3.723 3.138) 4.998 30.451 ( -2.755 -7.046 5.679) 9.459 30.898 ( 6.791 -2.883 -4.546) 8.666 31.177 ( -4.650 -5.388 -1.046) 7.193 31.326 ( 3.782 11.254 -2.770) 12.191 31.488 ( 2.751 5.759 0.466) 6.399 31.684 ( 11.622 1.242 -12.574) 17.167 32.455 ( 0.812 -13.348 -5.795) 14.575 32.554 ( -1.813 -11.706 -2.008) 12.014 33.087 ( 3.853 1.076 -2.541) 4.739 33.214 ( -4.014 4.486 8.616) 10.510 34.992 ( -1.096 0.910 -0.861) 1.665 35.041 ( -1.431 0.948 0.783) 1.887 35.218 ( 0.520 -5.584 -6.296) 8.432 35.229 ( 0.806 -1.546 3.421) 3.839 35.428 ( -4.238 -4.802 4.894) 8.060 35.584 ( 0.246 1.998 -4.156) 4.618 36.754 ( -13.551 7.753 21.092) 26.241 37.718 ( 8.032 24.017 -10.215) 27.307 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 7.087 -1.624 -3.484) 8.062 1.842 ( 9.364 -6.039 -4.845) 12.150 1.952 ( -8.130 -4.587 2.267) 9.606 2.126 ( -8.174 -5.545 2.959) 10.311 2.355 ( 2.145 -0.192 0.579) 2.230 2.435 ( -2.451 -3.193 -2.015) 4.502 2.652 ( 9.694 -4.772 -1.167) 10.868 2.769 ( 5.504 -1.257 -4.023) 6.932 2.910 ( 2.605 5.018 -0.389) 5.667 2.982 ( 3.218 1.904 0.939) 3.855 3.229 ( 5.630 -0.210 1.190) 5.758 3.293 ( -0.080 -9.114 3.917) 9.920 3.450 ( -0.040 -1.787 -0.248) 1.804 3.601 ( 1.113 -6.424 -1.649) 6.725 3.730 ( -8.081 1.150 -4.974) 9.558 3.792 ( -0.781 1.023 -3.369) 3.607 4.008 ( -1.941 6.744 0.225) 7.021 4.095 ( 11.294 -0.516 11.325) 16.002 4.273 ( -5.401 2.893 -2.446) 6.597 4.417 ( -1.034 0.121 2.664) 2.860 4.719 ( -3.817 1.024 -0.224) 3.958 4.912 ( -3.009 6.028 -1.166) 6.837 5.031 ( 1.692 -0.865 0.485) 1.961 5.181 ( 0.912 0.927 2.747) 3.039 5.433 ( -0.956 1.481 0.671) 1.886 5.492 ( 2.159 -2.480 -1.171) 3.491 5.578 ( 1.139 0.860 -3.976) 4.224 5.662 ( 0.988 3.076 -1.992) 3.796 5.775 ( 4.111 -5.602 -0.119) 6.950 6.043 ( -6.011 3.361 5.414) 8.760 7.456 ( 4.067 0.295 -0.398) 4.097 7.513 ( 2.339 3.780 -3.634) 5.742 7.691 ( -3.175 1.648 0.843) 3.675 8.065 ( -7.041 -5.757 -3.189) 9.637 8.641 ( -2.765 0.498 0.561) 2.865 8.791 ( 0.819 2.761 -1.651) 3.319 8.919 ( -4.345 1.137 -2.354) 5.070 8.961 ( -2.121 1.192 -4.060) 4.733 9.165 ( 5.846 4.640 0.660) 7.493 9.239 ( 6.123 6.197 4.263) 9.698 9.578 ( -1.481 -2.827 0.392) 3.216 9.765 ( -1.253 -5.935 -1.195) 6.183 9.894 ( 1.552 6.635 -0.466) 6.830 10.145 ( -0.404 -1.003 3.000) 3.189 10.277 ( 0.902 6.567 3.119) 7.326 10.423 ( 3.212 4.390 -3.619) 6.534 11.157 ( -1.410 -1.399 -0.195) 1.996 11.239 ( -3.717 1.579 -0.676) 4.095 11.378 ( 4.239 2.312 4.873) 6.860 11.685 ( 6.605 -1.683 1.417) 6.962 11.858 ( -2.310 -1.161 -6.150) 6.671 11.866 ( -0.013 -6.614 1.084) 6.702 12.064 ( 0.957 -4.816 -5.249) 7.187 12.148 ( -3.781 4.384 3.620) 6.827 12.319 ( -2.287 3.398 1.635) 4.410 12.396 ( 0.960 4.786 -2.421) 5.448 12.745 ( 3.508 1.974 1.065) 4.164 12.773 ( 0.960 6.240 5.108) 8.121 13.402 ( -5.485 -6.870 0.595) 8.811 13.640 ( -0.405 -1.853 -3.436) 3.925 13.761 ( 1.677 -4.073 2.610) 5.120 13.947 ( 1.057 6.484 2.467) 7.017 14.011 ( 6.213 -4.576 -1.402) 7.842 14.468 ( -3.514 -0.977 -4.020) 5.428 15.001 ( 4.821 -4.165 4.150) 7.603 15.157 ( 1.890 5.055 -0.002) 5.396 15.338 ( -6.437 -5.594 1.813) 8.719 15.499 ( 0.833 -7.684 4.146) 8.771 15.764 ( -3.466 -3.213 -4.602) 6.596 16.040 ( 1.118 -3.872 -6.943) 8.028 16.248 ( 4.783 5.097 4.031) 8.069 16.568 ( -7.208 -2.604 6.039) 9.757 16.916 ( 1.167 -0.884 1.940) 2.430 17.208 ( -2.725 -2.582 -5.357) 6.542 17.257 ( 3.394 -2.790 4.051) 5.976 17.547 ( -0.757 -1.461 -1.969) 2.566 19.744 ( -2.948 -7.804 -1.928) 8.563 19.807 ( -3.286 -10.511 -3.444) 11.538 20.437 ( 1.884 13.394 1.131) 13.573 20.466 ( 0.990 11.938 0.825) 12.007 22.387 ( 1.461 -13.109 -0.374) 13.196 22.417 ( 0.106 -13.022 0.807) 13.048 22.854 ( -2.201 10.192 4.224) 11.250 22.931 ( 1.815 9.813 -3.448) 10.558 27.438 ( 1.627 -19.850 -0.463) 19.922 27.747 ( -10.399 -20.846 6.419) 24.164 28.237 ( 2.403 22.658 0.484) 22.791 28.515 ( 2.208 19.434 -6.747) 20.690 30.375 ( 3.060 -4.742 0.108) 5.645 30.438 ( -1.166 -4.201 2.679) 5.117 30.655 ( 4.256 -8.732 7.847) 12.487 30.935 ( 7.065 2.949 -2.795) 8.150 31.156 ( 1.179 7.074 0.617) 7.198 31.177 ( -3.328 1.529 0.294) 3.674 31.470 ( -2.220 -2.698 -0.686) 3.561 31.665 ( 4.111 1.038 -11.505) 12.261 32.639 ( -0.264 -8.857 -2.203) 9.130 32.695 ( -2.027 -9.109 -3.721) 10.046 33.080 ( 2.468 4.020 2.884) 5.529 33.158 ( -0.476 2.994 3.072) 4.316 34.978 ( -0.408 0.135 1.272) 1.342 35.027 ( 0.148 0.486 -0.183) 0.540 35.259 ( -1.747 -2.722 -2.698) 4.212 35.301 ( 2.133 -1.982 2.048) 3.560 35.440 ( -0.164 -0.337 -4.595) 4.610 35.587 ( -4.242 -4.023 1.975) 6.170 36.671 ( -3.150 6.174 16.470) 17.869 37.325 ( 2.372 15.788 -11.785) 19.844 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 4.610 3.408 1.230) 5.864 1.907 ( -0.927 3.070 2.638) 4.152 2.032 ( 1.581 -4.087 0.235) 4.389 2.198 ( -1.061 -7.142 -0.038) 7.220 2.376 ( 1.373 0.240 1.619) 2.136 2.494 ( -3.454 -8.325 2.053) 9.244 2.755 ( 9.232 5.415 0.676) 10.724 2.797 ( 2.891 -1.621 -0.119) 3.316 2.868 ( 2.157 -0.687 2.280) 3.213 2.926 ( -3.046 7.939 2.941) 8.997 3.206 ( 4.281 4.731 0.858) 6.437 3.397 ( -0.044 4.165 -1.943) 4.596 3.474 ( -3.348 -0.399 -0.228) 3.380 3.543 ( -5.417 3.749 -5.899) 8.843 3.689 ( -1.060 -3.755 -2.727) 4.760 3.763 ( -2.539 -1.296 -4.326) 5.180 3.889 ( -1.581 5.931 3.594) 7.113 4.158 ( -8.756 0.856 -5.372) 10.308 4.263 ( 8.416 0.018 11.636) 14.361 4.427 ( 1.356 -0.196 0.374) 1.420 4.714 ( 0.351 -2.348 -1.991) 3.099 4.808 ( -1.880 1.961 -1.055) 2.914 5.064 ( 0.179 -2.260 1.496) 2.717 5.181 ( 0.066 0.068 2.123) 2.126 5.406 ( -0.158 1.107 -1.411) 1.800 5.503 ( 3.175 1.757 -2.015) 4.151 5.569 ( -1.166 -1.176 -0.669) 1.786 5.624 ( -1.225 0.456 -4.044) 4.250 5.826 ( -1.355 1.935 2.660) 3.558 5.974 ( -2.470 0.698 -3.146) 4.061 7.498 ( 7.769 -1.004 -0.162) 7.835 7.570 ( 6.256 -3.204 7.791) 10.493 7.683 ( -1.664 -2.657 -1.153) 3.341 8.061 ( -9.790 -3.189 -3.547) 10.891 8.662 ( 0.208 -2.947 1.450) 3.291 8.750 ( 2.262 0.654 -0.332) 2.378 8.877 ( -4.698 -2.137 -2.318) 5.658 8.948 ( -4.163 -3.545 -3.691) 6.597 9.122 ( 3.437 3.752 1.522) 5.311 9.193 ( 3.254 4.213 1.135) 5.444 9.638 ( -1.576 -3.550 1.281) 4.090 9.795 ( -1.721 0.161 -4.791) 5.093 9.814 ( 4.157 4.879 3.162) 7.147 10.098 ( -3.880 3.914 -1.874) 5.821 10.242 ( 4.325 0.559 1.080) 4.493 10.377 ( -2.251 1.175 1.188) 2.804 11.165 ( 1.622 -1.108 -3.772) 4.253 11.215 ( -4.575 -1.461 2.122) 5.250 11.390 ( 4.991 3.043 6.078) 8.433 11.727 ( 1.444 5.232 3.347) 6.376 11.804 ( -0.493 -2.196 -7.321) 7.659 11.933 ( -1.687 2.059 -2.947) 3.971 12.113 ( -3.433 -2.045 5.195) 6.554 12.172 ( 1.059 -9.218 -4.637) 10.373 12.260 ( -1.234 3.363 4.049) 5.406 12.332 ( 0.682 -0.012 -1.979) 2.093 12.696 ( 1.371 3.932 -1.308) 4.365 12.713 ( -0.210 3.377 1.711) 3.792 13.476 ( -1.876 -4.341 0.204) 4.734 13.621 ( -2.363 -0.227 -3.344) 4.101 13.841 ( 1.919 4.332 -1.390) 4.938 13.862 ( 0.967 3.991 2.775) 4.956 14.116 ( 5.590 -4.941 8.074) 10.993 14.487 ( -1.990 -5.783 -4.904) 7.839 15.059 ( 5.517 7.949 1.943) 9.869 15.147 ( 4.215 -3.759 4.620) 7.297 15.330 ( -6.300 1.813 -1.993) 6.852 15.476 ( -5.141 2.619 -5.522) 7.987 15.887 ( 2.616 -8.328 3.940) 9.577 16.086 ( -2.167 -2.209 -4.131) 5.162 16.213 ( 6.668 5.634 3.506) 9.407 16.529 ( -5.801 1.208 -2.385) 6.388 16.951 ( 2.355 0.277 3.120) 3.919 17.155 ( -3.306 1.486 -5.092) 6.251 17.364 ( 3.344 -2.195 5.144) 6.516 17.545 ( -1.531 -0.501 -2.786) 3.218 19.864 ( 0.864 -5.321 1.112) 5.504 19.956 ( -1.915 -7.048 -1.990) 7.570 20.271 ( 1.347 4.673 1.540) 5.101 20.327 ( -0.281 2.775 -0.655) 2.865 22.543 ( 0.484 0.632 0.784) 1.118 22.591 ( -1.235 0.395 -0.457) 1.374 22.705 ( 0.388 0.777 0.903) 1.253 22.775 ( -1.050 1.526 -1.963) 2.699 27.817 ( 2.241 -17.385 0.215) 17.530 27.863 ( 1.464 19.896 2.152) 20.065 28.029 ( -2.974 -6.929 2.207) 7.856 28.203 ( -2.986 2.141 -6.297) 7.290 30.447 ( 2.295 -1.077 1.434) 2.913 30.496 ( 0.674 -0.539 0.799) 1.176 30.755 ( 4.702 6.360 2.825) 8.399 30.878 ( 0.409 3.709 -0.304) 3.744 31.125 ( 4.050 0.940 4.281) 5.968 31.184 ( 1.427 -4.469 0.061) 4.691 31.473 ( -4.423 -0.401 -2.872) 5.288 31.587 ( -6.126 1.378 -4.179) 7.542 32.734 ( -0.013 -2.959 2.186) 3.679 32.829 ( -0.176 -8.179 -5.990) 10.139 33.003 ( 0.898 7.686 6.646) 10.201 33.116 ( 0.043 2.788 -2.069) 3.472 34.992 ( 0.057 -0.615 2.246) 2.329 35.023 ( 0.642 -0.127 -0.763) 1.005 35.252 ( 0.216 0.371 -1.996) 2.041 35.347 ( -2.829 -2.651 0.927) 3.986 35.454 ( 3.995 -0.286 -0.957) 4.118 35.615 ( -2.973 -0.842 -0.639) 3.156 36.679 ( 7.119 1.140 6.467) 9.685 37.110 ( -6.560 0.644 -5.659) 8.687 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 3.438 8.099 6.369) 10.861 1.785 ( -9.424 6.161 -2.557) 11.546 2.052 ( 4.653 3.307 2.551) 6.253 2.192 ( -5.640 3.317 -5.302) 8.421 2.443 ( 14.399 15.554 1.072) 21.222 2.597 ( -3.162 21.979 4.411) 22.639 2.663 ( 0.121 -2.871 4.010) 4.933 2.690 ( 2.181 -6.433 3.005) 7.427 2.905 ( 0.231 -4.952 4.536) 6.719 2.967 ( -0.558 -5.794 2.708) 6.419 3.136 ( -1.984 9.605 -7.732) 12.489 3.144 ( -8.264 5.643 -2.523) 10.320 3.412 ( 1.532 0.594 2.188) 2.737 3.508 ( -0.659 -0.495 -2.428) 2.564 3.770 ( -0.159 -5.683 -0.354) 5.696 3.798 ( 0.486 -4.660 -4.923) 6.796 3.845 ( 4.386 0.333 4.249) 6.115 4.043 ( -11.606 -1.170 -6.393) 13.302 4.353 ( 2.835 1.308 12.359) 12.748 4.442 ( 1.802 -0.640 -3.753) 4.212 4.756 ( 3.652 -1.718 -3.878) 5.597 4.791 ( -2.876 -1.462 -0.046) 3.226 5.131 ( -0.441 -2.873 4.346) 5.229 5.197 ( 1.002 -2.402 -5.600) 6.175 5.363 ( 2.395 4.312 -0.161) 4.935 5.477 ( -8.199 5.530 -1.260) 9.970 5.513 ( 3.831 1.779 0.251) 4.231 5.585 ( -3.430 -0.250 -1.517) 3.759 5.819 ( 4.607 0.809 4.111) 6.227 5.933 ( -3.200 -1.024 -5.209) 6.198 7.594 ( 5.031 -2.292 2.208) 5.953 7.679 ( -1.691 -1.549 0.843) 2.443 7.780 ( 9.489 -4.893 4.515) 11.592 8.011 ( -9.865 -2.789 -4.366) 11.142 8.747 ( 5.333 -2.381 3.017) 6.574 8.814 ( 4.160 -3.801 2.878) 6.327 8.898 ( -4.254 -5.079 -2.804) 7.194 8.938 ( -8.056 -2.264 -4.632) 9.564 9.117 ( 2.718 1.124 2.781) 4.048 9.166 ( -1.020 0.357 0.496) 1.189 9.661 ( -0.352 0.791 2.662) 2.799 9.707 ( 0.310 5.025 -2.976) 5.848 9.857 ( 3.372 -4.956 -0.501) 6.015 9.981 ( -6.406 1.457 -3.607) 7.495 10.302 ( 4.887 -2.460 -0.400) 5.486 10.366 ( -4.423 -2.228 1.956) 5.325 11.177 ( 3.110 0.264 -3.178) 4.455 11.207 ( -4.861 0.160 2.144) 5.316 11.412 ( 7.910 4.765 5.129) 10.564 11.586 ( -7.141 7.571 -1.174) 10.473 11.824 ( 0.841 -0.922 -2.072) 2.419 11.839 ( -0.932 0.100 -2.510) 2.680 12.147 ( -0.018 -0.095 4.098) 4.099 12.193 ( -0.847 2.244 -1.274) 2.716 12.353 ( 3.029 -7.972 1.915) 8.741 12.413 ( -1.783 -7.980 -1.019) 8.240 12.653 ( 1.518 0.072 -2.795) 3.182 12.673 ( -2.070 0.485 0.420) 2.167 13.518 ( 5.293 1.898 0.529) 5.648 13.598 ( -4.547 -0.423 1.332) 4.757 13.740 ( -1.068 7.042 -1.296) 7.240 13.756 ( -2.337 2.309 -3.317) 4.668 14.348 ( 8.336 -5.045 12.979) 16.229 14.532 ( -1.589 -2.745 -5.284) 6.163 14.975 ( 6.512 6.934 0.795) 9.546 15.118 ( -8.026 6.084 -2.186) 10.306 15.295 ( 3.954 -0.160 0.267) 3.966 15.378 ( -3.004 3.586 -2.994) 5.555 15.981 ( -0.608 2.124 4.048) 4.612 16.038 ( -1.215 1.215 -5.687) 5.941 16.243 ( 5.854 0.172 10.182) 11.746 16.436 ( -3.885 1.265 -9.888) 10.698 16.974 ( 3.307 1.634 3.499) 5.085 17.069 ( -3.336 2.168 -3.862) 5.545 17.419 ( 2.863 2.115 4.488) 5.728 17.502 ( -2.164 2.082 -3.291) 4.455 19.902 ( 3.008 3.321 1.243) 4.650 19.931 ( -0.414 5.422 1.114) 5.551 20.378 ( 0.491 -12.541 -0.481) 12.560 20.398 ( -1.766 -11.410 -0.545) 11.559 22.367 ( -2.477 14.629 3.798) 15.316 22.380 ( 1.448 15.175 -3.685) 15.683 22.839 ( 2.848 -9.059 -2.951) 9.944 22.867 ( -4.033 -8.979 1.552) 9.965 27.532 ( 2.649 20.864 5.476) 21.733 27.646 ( -1.656 20.175 -8.495) 21.953 28.341 ( 5.005 -23.738 1.862) 24.331 28.444 ( -6.311 -22.533 -0.293) 23.402 30.438 ( 2.027 5.495 0.992) 5.940 30.453 ( 0.697 6.094 -0.036) 6.134 30.677 ( 11.930 5.930 -2.079) 13.484 30.822 ( -10.275 0.833 5.006) 11.459 31.199 ( 4.966 -2.272 3.208) 6.334 31.297 ( -0.416 -5.774 -0.363) 5.801 31.389 ( 3.137 4.800 -6.101) 8.373 31.487 ( -13.406 0.712 3.107) 13.779 32.744 ( 1.180 6.411 4.013) 7.655 32.793 ( -0.694 8.879 -1.214) 8.988 33.008 ( 1.500 -4.019 1.202) 4.455 33.063 ( -1.618 -1.348 -3.276) 3.894 35.019 ( -0.339 -0.985 2.395) 2.612 35.034 ( 0.654 -1.133 -1.379) 1.901 35.259 ( 4.560 -0.031 0.030) 4.560 35.356 ( -5.104 -1.854 -1.925) 5.761 35.459 ( 2.356 4.233 5.420) 7.269 35.553 ( -1.693 3.833 -4.923) 6.465 36.846 ( 19.025 -8.072 -2.437) 20.810 37.120 ( -17.927 -12.258 1.279) 21.755 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -5.341 8.249 -11.439) 15.080 1.548 ( 5.341 8.249 11.439) 15.080 1.948 ( 3.518 22.636 -11.808) 25.772 1.948 ( -3.518 22.636 11.808) 25.772 2.150 ( 6.208 11.128 -6.797) 14.442 2.150 ( -6.208 11.128 6.797) 14.442 2.798 ( -5.353 0.026 -7.577) 9.278 2.798 ( 5.353 0.026 7.577) 9.278 2.972 ( -7.622 -1.964 -9.684) 12.479 2.972 ( 7.622 -1.964 9.684) 12.479 3.098 ( -3.035 -4.948 -0.391) 5.818 3.098 ( 3.035 -4.948 0.391) 5.818 3.496 ( -3.969 -3.052 -4.428) 6.684 3.496 ( 3.969 -3.052 4.428) 6.684 3.847 ( 0.220 -2.653 -2.444) 3.614 3.847 ( -0.220 -2.653 2.444) 3.614 3.977 ( -10.125 -4.003 -1.842) 11.043 3.977 ( 10.125 -4.003 1.842) 11.043 4.422 ( -1.168 -0.832 -8.648) 8.766 4.422 ( 1.168 -0.832 8.648) 8.766 4.785 ( -2.015 -0.536 -0.510) 2.146 4.785 ( 2.015 -0.536 0.510) 2.146 5.156 ( -7.496 8.670 -2.997) 11.847 5.156 ( 7.496 8.670 2.997) 11.847 5.318 ( -8.336 -0.487 0.937) 8.403 5.318 ( 8.336 -0.487 -0.937) 8.403 5.532 ( -5.872 1.258 -0.676) 6.044 5.532 ( 5.872 1.258 0.676) 6.044 5.919 ( -4.551 -4.638 -3.327) 7.300 5.919 ( 4.551 -4.638 3.327) 7.300 7.668 ( -1.565 -1.487 -3.513) 4.123 7.668 ( 1.565 -1.487 3.513) 4.123 7.961 ( -9.655 -2.662 -5.008) 11.197 7.961 ( 9.655 -2.662 5.008) 11.197 8.840 ( -7.503 1.251 -5.496) 9.384 8.840 ( 7.503 1.251 5.496) 9.384 8.941 ( -3.300 -3.590 -1.688) 5.160 8.941 ( 3.300 -3.590 1.688) 5.160 9.153 ( -2.655 -1.133 -2.766) 3.998 9.153 ( 2.655 -1.133 2.766) 3.998 9.621 ( 0.924 4.118 -2.093) 4.711 9.621 ( -0.924 4.118 2.093) 4.711 10.002 ( 0.405 -8.817 -1.070) 8.891 10.002 ( -0.405 -8.817 1.070) 8.891 10.399 ( -2.379 -4.453 -1.773) 5.351 10.399 ( 2.379 -4.453 1.773) 5.351 11.151 ( 4.505 4.002 -5.001) 7.831 11.151 ( -4.505 4.002 5.001) 7.831 11.382 ( -7.383 6.082 -1.045) 9.623 11.382 ( 7.383 6.082 1.045) 9.623 11.892 ( 2.820 -6.285 -8.769) 11.151 11.892 ( -2.820 -6.285 8.769) 11.151 12.169 ( 0.842 -0.734 -1.731) 2.060 12.169 ( -0.842 -0.734 1.731) 2.060 12.493 ( -1.320 -3.246 -3.937) 5.270 12.493 ( 1.320 -3.246 3.937) 5.270 12.697 ( 2.855 -4.746 -3.472) 6.536 12.697 ( -2.855 -4.746 3.472) 6.536 13.495 ( -4.722 6.060 -4.411) 8.859 13.495 ( 4.722 6.060 4.411) 8.859 13.700 ( -1.558 0.078 -3.683) 4.000 13.700 ( 1.558 0.078 3.683) 4.000 14.479 ( -5.172 2.347 -4.562) 7.285 14.479 ( 5.172 2.347 4.562) 7.285 14.961 ( -6.110 2.118 -5.994) 8.818 14.961 ( 6.110 2.118 5.994) 8.818 15.226 ( 2.955 10.904 -4.247) 12.069 15.226 ( -2.955 10.904 4.247) 12.069 15.986 ( -0.460 -0.921 -8.214) 8.278 15.986 ( 0.460 -0.921 8.214) 8.278 16.324 ( -1.678 1.858 -9.517) 9.840 16.324 ( 1.678 1.858 9.517) 9.840 16.987 ( -3.402 1.993 -3.418) 5.218 16.987 ( 3.402 1.993 3.418) 5.218 17.392 ( -3.846 5.479 -3.604) 7.602 17.392 ( 3.846 5.479 3.604) 7.602 19.851 ( -1.372 3.164 -1.891) 3.933 19.851 ( 1.372 3.164 1.891) 3.933 20.634 ( 1.389 -14.959 -3.487) 15.423 20.634 ( -1.389 -14.959 3.487) 15.423 22.094 ( 5.108 15.685 -6.177) 17.614 22.094 ( -5.108 15.685 6.177) 17.614 22.998 ( 3.987 -7.656 -3.883) 9.465 22.998 ( -3.987 -7.656 3.883) 9.465 27.220 ( -1.918 19.992 -6.269) 21.040 27.220 ( 1.918 19.992 6.269) 21.040 28.810 ( -3.064 -22.942 -1.810) 23.216 28.810 ( 3.064 -22.942 1.810) 23.216 30.334 ( -0.348 6.220 -2.081) 6.568 30.334 ( 0.348 6.220 2.081) 6.568 30.694 ( -18.072 5.056 3.851) 19.157 30.694 ( 18.072 5.056 -3.851) 19.157 31.240 ( -0.903 4.911 -6.131) 7.907 31.240 ( 0.903 4.911 6.131) 7.907 31.467 ( -4.937 -8.151 -0.004) 9.530 31.467 ( 4.937 -8.151 0.004) 9.530 32.568 ( -0.035 14.362 -2.834) 14.639 32.568 ( 0.035 14.362 2.834) 14.639 33.107 ( 1.046 -4.668 -5.611) 7.373 33.107 ( -1.046 -4.668 5.611) 7.373 35.049 ( 0.017 -1.282 -2.097) 2.458 35.049 ( -0.017 -1.282 2.097) 2.458 35.312 ( -3.345 0.865 -4.275) 5.496 35.312 ( 3.345 0.865 4.275) 5.496 35.421 ( -3.677 4.462 -5.984) 8.321 35.421 ( 3.677 4.462 5.984) 8.321 37.221 ( -21.575 -15.318 1.136) 26.484 37.221 ( 21.575 -15.318 -1.136) 26.484 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 15.757 0.000 -21.263) 26.465 1.502 ( 21.707 0.000 -10.184) 23.977 1.882 ( 0.961 0.000 15.107) 15.138 1.919 ( 9.373 0.000 8.262) 12.494 2.071 ( 26.598 0.000 -21.614) 34.273 2.319 ( 5.505 0.000 4.538) 7.134 2.689 ( -6.972 -0.000 -2.101) 7.281 2.700 ( -3.598 -0.000 3.484) 5.008 2.820 ( 0.121 0.000 -11.596) 11.597 2.874 ( -9.712 -0.000 -1.178) 9.783 2.990 ( 0.399 0.000 -1.915) 1.957 3.316 ( -0.535 -0.000 -2.589) 2.644 3.465 ( -3.412 -0.000 -3.386) 4.807 3.640 ( -6.056 -0.000 5.410) 8.121 3.743 ( 1.024 0.000 -1.013) 1.440 3.778 ( 0.645 0.000 1.539) 1.669 4.046 ( -0.139 -0.000 10.061) 10.062 4.313 ( -7.896 -0.000 0.214) 7.899 4.412 ( 0.679 0.000 -5.156) 5.200 4.416 ( -1.517 -0.000 10.439) 10.548 4.696 ( 4.836 0.000 -0.883) 4.916 5.051 ( 2.765 0.000 1.641) 3.215 5.056 ( 12.680 0.000 -4.240) 13.370 5.231 ( 1.257 0.000 6.437) 6.558 5.252 ( -1.281 -0.000 -1.477) 1.955 5.315 ( -2.841 -0.000 4.264) 5.124 5.527 ( 1.546 0.000 6.657) 6.834 5.556 ( 4.554 0.000 -3.712) 5.875 6.122 ( 1.127 0.000 1.178) 1.630 6.186 ( -1.951 -0.000 5.927) 6.240 7.569 ( -3.525 -0.000 -11.291) 11.828 7.735 ( -5.093 -0.000 -11.906) 12.949 7.905 ( -0.440 -0.000 2.496) 2.535 7.948 ( 1.228 0.000 0.962) 1.560 8.727 ( -1.288 -0.000 0.700) 1.466 8.921 ( 4.016 0.000 -2.930) 4.971 9.021 ( 3.816 0.000 -5.787) 6.932 9.047 ( -0.182 -0.000 1.367) 1.379 9.223 ( 5.143 0.000 2.748) 5.831 9.260 ( 1.409 0.000 8.273) 8.393 9.604 ( 3.093 0.000 2.896) 4.237 9.633 ( 1.406 0.000 -3.431) 3.708 10.074 ( -6.570 -0.000 0.646) 6.602 10.119 ( -2.797 -0.000 -8.590) 9.034 10.641 ( -3.456 -0.000 8.343) 9.031 10.716 ( 3.552 0.000 -3.538) 5.013 10.977 ( 4.088 0.000 4.275) 5.915 11.239 ( -4.847 -0.000 8.467) 9.757 11.395 ( 8.446 0.000 -2.151) 8.715 11.510 ( 6.656 0.000 5.164) 8.425 11.854 ( -2.175 -0.000 -2.387) 3.229 11.995 ( -5.035 -0.000 -8.224) 9.643 12.054 ( 6.129 0.000 -0.842) 6.186 12.198 ( 1.594 0.000 -1.369) 2.101 12.433 ( 0.920 0.000 1.293) 1.587 12.527 ( -4.432 -0.000 3.119) 5.419 12.898 ( -4.313 -0.000 -4.970) 6.580 12.944 ( -0.826 -0.000 10.192) 10.225 13.265 ( -0.879 -0.000 -0.165) 0.895 13.507 ( -6.577 -0.000 -7.861) 10.250 13.649 ( 1.915 0.000 0.854) 2.096 13.698 ( 4.838 0.000 2.191) 5.311 14.158 ( 5.344 0.000 5.675) 7.795 14.426 ( -1.447 -0.000 -0.530) 1.541 14.440 ( -0.644 -0.000 2.856) 2.928 14.841 ( -3.112 -0.000 -3.265) 4.511 15.026 ( 4.107 0.000 -1.315) 4.312 15.061 ( 1.109 0.000 7.437) 7.519 15.612 ( -5.679 -0.000 -13.959) 15.070 16.135 ( -4.633 -0.000 -6.971) 8.370 16.390 ( 2.445 0.000 5.604) 6.114 16.407 ( 5.731 0.000 2.670) 6.323 16.903 ( -0.034 -0.000 1.903) 1.903 17.016 ( -1.997 -0.000 -1.372) 2.423 17.043 ( 3.606 0.000 2.554) 4.419 17.521 ( 3.255 0.000 -1.850) 3.744 19.500 ( -5.495 -0.000 -5.472) 7.755 19.825 ( -6.210 -0.000 -4.992) 7.968 21.012 ( 2.400 0.000 -1.291) 2.725 21.089 ( -0.367 -0.000 2.495) 2.522 21.698 ( -2.721 -0.000 6.978) 7.489 21.835 ( 5.521 0.000 -3.047) 6.306 23.181 ( -1.647 -0.000 3.516) 3.883 23.224 ( 2.908 0.000 -2.717) 3.980 26.805 ( 0.871 0.000 0.690) 1.111 26.805 ( 0.880 0.000 0.739) 1.149 29.267 ( -2.767 -0.000 -3.933) 4.808 29.349 ( 1.129 0.000 -1.214) 1.658 29.624 ( 5.933 0.000 1.962) 6.249 30.287 ( 0.135 0.000 0.089) 0.161 30.295 ( 0.510 0.000 2.529) 2.580 30.754 ( 5.296 0.000 -9.907) 11.234 31.057 ( -1.422 -0.000 0.525) 1.516 31.484 ( 14.677 0.000 -11.318) 18.534 31.822 ( 5.331 0.000 -7.054) 8.842 31.925 ( 4.011 0.000 -2.652) 4.809 32.046 ( 1.569 0.000 -3.619) 3.945 32.103 ( 2.212 0.000 -4.481) 4.997 33.107 ( 1.865 0.000 -4.073) 4.480 33.299 ( -6.777 -0.000 9.092) 11.339 35.046 ( -3.330 -0.000 -1.341) 3.590 35.056 ( 1.838 0.000 -4.857) 5.194 35.076 ( -1.690 -0.000 1.600) 2.327 35.244 ( -1.247 -0.000 3.225) 3.458 35.250 ( -1.841 -0.000 5.259) 5.572 35.656 ( 1.366 0.000 -5.691) 5.853 36.929 ( -17.884 -0.000 26.377) 31.868 38.310 ( 1.974 0.000 -2.596) 3.262 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 14.626 -22.075 -11.618) 28.917 1.652 ( 17.635 -5.285 -7.789) 19.990 1.910 ( -1.225 5.568 4.514) 7.271 1.973 ( -3.348 -0.411 2.952) 4.482 2.175 ( 17.117 -2.992 -6.722) 18.631 2.418 ( 5.702 -2.953 -2.802) 7.006 2.592 ( -1.257 1.306 -6.859) 7.095 2.690 ( 2.449 1.790 3.962) 4.990 2.819 ( 0.875 -9.416 -4.212) 10.353 2.925 ( -4.717 -7.170 3.627) 9.318 3.008 ( 1.483 -1.110 1.401) 2.322 3.268 ( -0.323 2.080 -3.953) 4.478 3.400 ( -2.195 1.129 -2.106) 3.244 3.627 ( -6.579 1.477 4.684) 8.210 3.659 ( 0.002 3.892 0.294) 3.903 3.860 ( 2.329 -1.822 -1.337) 3.245 4.112 ( 3.399 0.652 11.526) 12.035 4.225 ( -5.103 3.707 0.430) 6.322 4.368 ( -3.244 1.067 -5.828) 6.755 4.449 ( -2.134 1.169 7.284) 7.680 4.759 ( 2.853 -3.225 -1.428) 4.537 4.938 ( -1.587 6.440 -2.461) 7.075 5.166 ( 9.454 -1.026 -4.017) 10.323 5.210 ( 1.251 1.737 0.803) 2.286 5.278 ( -1.250 -1.927 2.034) 3.068 5.434 ( 2.420 -7.432 4.123) 8.836 5.507 ( 1.224 3.265 1.007) 3.630 5.617 ( 2.185 -1.707 2.499) 3.733 6.044 ( 0.506 9.139 3.230) 9.706 6.172 ( -3.026 2.905 3.144) 5.243 7.476 ( -1.173 0.614 -10.618) 10.700 7.618 ( -3.379 0.060 -13.331) 13.752 7.892 ( 0.608 5.215 1.770) 5.541 7.919 ( -3.275 0.813 1.144) 3.563 8.714 ( -0.669 1.720 1.540) 2.404 8.935 ( 0.598 6.203 -0.217) 6.236 8.949 ( 1.537 -0.701 -2.486) 3.006 9.058 ( -0.478 0.383 -5.823) 5.855 9.276 ( 5.584 1.255 5.678) 8.062 9.339 ( 2.304 -1.929 7.912) 8.463 9.600 ( 2.430 1.027 -2.987) 3.985 9.622 ( -0.869 1.061 0.765) 1.570 10.024 ( -3.087 -0.018 -3.085) 4.364 10.049 ( -5.070 -0.314 -4.578) 6.838 10.554 ( -2.174 6.842 4.721) 8.592 10.666 ( 2.141 5.674 -5.929) 8.481 11.111 ( -0.275 -5.551 6.098) 8.250 11.207 ( -2.293 2.073 6.019) 6.767 11.448 ( 6.008 1.028 -1.617) 6.306 11.590 ( 4.640 -2.068 0.990) 5.176 11.779 ( -1.860 3.139 -2.127) 4.223 11.884 ( -3.861 1.661 -8.179) 9.196 12.093 ( 9.866 3.996 2.232) 10.876 12.271 ( 2.852 -1.102 4.471) 5.416 12.405 ( -0.560 2.209 2.535) 3.408 12.534 ( -2.271 0.536 -1.789) 2.940 12.750 ( 0.755 4.263 -1.400) 4.550 12.968 ( -1.093 2.167 6.908) 7.322 13.263 ( -1.988 -0.156 2.436) 3.149 13.512 ( -4.359 -7.094 -7.819) 11.422 13.678 ( 2.394 0.025 1.618) 2.890 13.749 ( 2.341 -2.812 1.242) 3.864 14.190 ( 6.305 5.450 6.773) 10.740 14.450 ( -0.814 -2.380 -0.938) 2.685 14.691 ( 2.772 -17.444 2.527) 17.842 14.939 ( -4.818 -12.769 -0.074) 13.648 15.087 ( 1.683 -4.682 3.161) 5.895 15.184 ( 3.537 -6.970 10.095) 12.767 15.537 ( -4.629 -4.284 -11.874) 13.445 16.062 ( -6.084 -1.570 -9.057) 11.023 16.403 ( 2.774 3.320 4.242) 6.059 16.429 ( 1.863 1.938 4.186) 4.975 16.899 ( 0.669 0.666 2.631) 2.795 17.044 ( -1.592 -4.366 -2.956) 5.508 17.138 ( 4.533 -3.851 3.914) 7.120 17.521 ( 0.311 -0.186 -3.445) 3.464 19.477 ( -3.623 -4.466 -4.298) 7.180 19.705 ( -7.347 2.364 -6.355) 9.998 20.907 ( 3.184 11.368 -1.731) 11.932 20.963 ( -1.452 12.528 2.869) 12.934 21.860 ( -1.229 -13.181 5.856) 14.476 21.968 ( 3.727 -11.067 -2.709) 11.988 23.141 ( -2.213 4.931 3.859) 6.642 23.186 ( 1.889 4.087 -3.981) 6.009 26.896 ( 1.400 -9.136 0.434) 9.253 26.990 ( -3.706 -17.374 3.126) 18.038 29.005 ( 2.144 19.790 0.019) 19.906 29.207 ( 1.487 15.451 -3.085) 15.826 29.955 ( 12.102 -17.333 8.870) 22.926 30.323 ( -0.889 -1.954 2.480) 3.280 30.355 ( 0.315 -5.198 3.811) 6.453 30.807 ( 5.389 -7.222 -8.593) 12.451 31.070 ( -2.287 -2.345 0.168) 3.280 31.477 ( 7.635 3.557 -14.280) 16.579 31.668 ( 4.339 10.893 -1.014) 11.770 31.779 ( 5.273 10.202 -8.453) 14.260 32.196 ( 2.414 -13.383 -4.573) 14.347 32.301 ( -0.917 -13.903 -2.245) 14.113 33.105 ( 4.055 -0.095 -3.835) 5.582 33.273 ( -7.858 1.728 8.460) 11.674 35.002 ( -0.206 1.136 -0.444) 1.237 35.050 ( -1.883 0.617 1.312) 2.376 35.111 ( 2.022 -3.684 -3.374) 5.389 35.242 ( 1.354 -0.310 3.339) 3.616 35.324 ( -4.532 -4.849 4.549) 8.046 35.586 ( -3.110 2.317 -7.783) 8.696 36.937 ( -8.298 5.772 29.999) 31.656 38.074 ( -3.096 18.333 -13.706) 23.098 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 8.185 -11.694 -5.513) 15.302 1.756 ( -2.450 2.010 1.435) 3.479 1.856 ( 5.678 -6.209 -6.823) 10.833 1.978 ( -8.670 -3.949 2.963) 9.977 2.365 ( 7.784 -4.256 -3.545) 9.553 2.428 ( 3.344 2.903 0.052) 4.428 2.608 ( 7.780 -6.183 -2.309) 10.202 2.808 ( 10.441 -2.128 2.828) 11.024 2.980 ( -3.834 -3.486 -0.280) 5.189 3.014 ( -2.201 -10.352 4.927) 11.674 3.065 ( 8.592 2.082 -4.377) 9.865 3.243 ( 0.706 -4.980 0.313) 5.040 3.428 ( -2.358 -6.826 -2.386) 7.606 3.562 ( -4.311 3.954 5.280) 7.880 3.599 ( -3.367 0.410 -1.836) 3.857 3.843 ( 1.004 3.189 -3.424) 4.785 4.095 ( -3.840 5.288 0.405) 6.548 4.225 ( 5.818 0.505 9.271) 10.957 4.252 ( -5.024 3.062 -3.780) 6.993 4.449 ( -0.701 0.703 3.947) 4.070 4.752 ( -0.914 4.406 -0.513) 4.529 4.850 ( -4.958 -1.118 -4.187) 6.585 5.155 ( 5.433 5.054 3.067) 8.029 5.233 ( 5.090 1.357 0.742) 5.319 5.370 ( 0.703 -7.975 -5.017) 9.448 5.457 ( -1.345 -0.144 -2.169) 2.556 5.594 ( 0.167 -3.502 1.296) 3.738 5.633 ( 2.228 1.863 0.278) 2.917 5.895 ( 2.407 9.580 4.897) 11.025 6.085 ( -5.889 4.143 2.391) 7.587 7.449 ( 2.648 -2.418 -4.253) 5.563 7.550 ( 1.074 -0.111 -8.769) 8.836 7.767 ( -0.174 7.412 1.079) 7.492 7.902 ( -7.226 -1.723 0.420) 7.441 8.673 ( 0.437 3.260 1.770) 3.735 8.826 ( -2.172 4.187 -1.686) 5.009 8.927 ( -1.666 2.097 -0.643) 2.754 8.969 ( -1.550 3.984 -5.744) 7.161 9.294 ( 4.690 3.908 2.164) 6.477 9.386 ( -0.036 2.642 3.997) 4.791 9.598 ( 6.485 2.461 1.041) 7.014 9.648 ( -1.163 -4.832 0.113) 4.972 9.954 ( -1.019 0.799 -3.409) 3.647 10.086 ( -3.489 -5.158 1.031) 6.312 10.441 ( 0.552 8.000 3.868) 8.903 10.531 ( 2.370 6.992 -5.426) 9.163 11.133 ( -3.456 0.352 3.831) 5.172 11.224 ( -2.510 0.645 -2.641) 3.700 11.462 ( 3.050 -0.399 5.610) 6.398 11.672 ( 3.865 -4.686 -4.729) 7.698 11.742 ( -0.356 -0.496 0.444) 0.755 11.825 ( -0.952 -0.990 -4.574) 4.776 12.093 ( 8.171 4.664 0.842) 9.446 12.238 ( -2.886 6.368 2.928) 7.580 12.364 ( -1.276 2.470 2.023) 3.438 12.452 ( -0.525 3.407 -4.001) 5.281 12.795 ( 4.117 -1.172 3.537) 5.553 12.920 ( -1.006 5.333 3.580) 6.501 13.292 ( -2.091 -2.790 4.742) 5.886 13.531 ( -3.873 -3.220 -8.572) 9.943 13.733 ( 3.637 -3.773 5.770) 7.795 13.877 ( 2.355 -8.570 -2.522) 9.238 14.157 ( 5.744 7.287 6.035) 11.069 14.434 ( -2.932 1.999 -4.846) 6.007 14.949 ( 4.157 -8.545 1.550) 9.628 15.106 ( -4.526 -10.753 -0.440) 11.675 15.230 ( 0.356 -4.717 4.116) 6.270 15.393 ( 0.804 -6.167 3.907) 7.345 15.606 ( -0.376 -10.099 0.052) 10.106 15.979 ( -4.572 0.406 -9.523) 10.571 16.382 ( 4.117 3.723 2.489) 6.083 16.469 ( -5.041 -4.006 6.728) 9.313 16.924 ( 1.126 -0.833 3.139) 3.438 17.087 ( -2.308 -4.467 -5.609) 7.532 17.261 ( 4.768 -3.034 5.003) 7.548 17.501 ( -1.678 -0.808 -4.160) 4.558 19.553 ( -1.617 -8.480 -3.212) 9.212 19.629 ( -5.232 -3.772 -3.585) 7.379 20.694 ( 3.591 13.548 -2.210) 14.189 20.719 ( -1.844 14.484 3.298) 14.968 22.141 ( -0.417 -15.083 4.005) 15.611 22.197 ( 2.073 -12.939 -2.339) 13.311 23.026 ( -2.593 8.217 4.534) 9.736 23.072 ( 1.539 7.216 -5.004) 8.915 27.138 ( 3.001 -15.844 0.014) 16.125 27.311 ( -9.545 -21.072 3.301) 23.367 28.665 ( 4.147 21.873 2.497) 22.402 28.854 ( 0.322 20.942 -5.349) 21.617 30.313 ( 6.819 -7.162 1.852) 10.061 30.374 ( -1.328 -3.242 2.643) 4.388 30.562 ( 4.950 -11.913 14.623) 19.500 30.960 ( 4.918 -7.461 -4.103) 9.833 31.093 ( -2.696 -2.144 0.291) 3.457 31.335 ( 3.396 8.181 -7.818) 11.815 31.514 ( 0.843 8.801 -0.328) 8.848 31.638 ( 2.522 2.789 -13.095) 13.624 32.425 ( 2.348 -12.600 -3.716) 13.345 32.495 ( -3.586 -10.777 -0.582) 11.373 33.132 ( 6.322 -0.333 -3.646) 7.305 33.224 ( -6.490 2.504 7.526) 10.249 34.994 ( 0.845 0.531 1.408) 1.726 35.035 ( -0.552 0.528 0.469) 0.897 35.178 ( 1.303 -3.768 -2.035) 4.476 35.299 ( 2.215 -1.460 2.584) 3.704 35.375 ( -4.745 -3.076 -1.204) 5.781 35.496 ( -4.306 -1.482 -3.278) 5.611 36.922 ( -1.481 9.795 27.317) 29.058 37.584 ( -2.027 20.928 -20.384) 29.285 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 9.195 -3.194 -2.703) 10.103 1.847 ( -9.114 -8.480 3.157) 12.843 1.967 ( 7.755 -6.081 -2.732) 10.227 2.038 ( -5.700 -7.834 2.326) 9.964 2.365 ( 0.077 0.804 -0.217) 0.837 2.387 ( -1.303 1.362 -1.524) 2.424 2.816 ( 8.679 -3.722 3.049) 9.923 2.862 ( 4.625 0.928 2.690) 5.430 2.948 ( 1.040 4.713 1.065) 4.943 2.990 ( -0.414 2.474 -3.358) 4.191 3.282 ( 5.663 -7.197 -1.566) 9.291 3.416 ( 3.563 -7.187 2.450) 8.387 3.444 ( -8.816 1.822 -4.452) 10.042 3.487 ( -1.551 0.016 2.647) 3.068 3.620 ( 0.856 -2.218 1.493) 2.808 3.741 ( -3.380 3.647 -5.084) 7.112 3.992 ( 0.109 4.894 1.828) 5.226 4.095 ( -8.084 3.520 -4.335) 9.825 4.362 ( 7.136 -1.591 8.117) 10.924 4.454 ( 0.226 0.143 0.340) 0.433 4.695 ( 1.508 0.838 0.235) 1.741 4.781 ( -6.650 0.787 -3.112) 7.385 5.139 ( 6.392 4.318 2.666) 8.162 5.213 ( -1.405 3.300 1.542) 3.904 5.430 ( 1.137 -0.067 -0.182) 1.153 5.481 ( -1.306 -3.029 -2.294) 4.018 5.559 ( 0.261 1.577 -0.011) 1.598 5.608 ( -1.071 1.539 -5.950) 6.239 5.860 ( 4.583 1.521 3.578) 6.010 5.972 ( -6.631 3.471 -0.045) 7.485 7.544 ( 5.129 -0.430 -2.196) 5.596 7.557 ( 3.852 -6.460 1.411) 7.653 7.684 ( 2.441 3.283 3.260) 5.232 7.867 ( -11.987 -3.868 -4.131) 13.256 8.658 ( 2.907 0.390 2.144) 3.633 8.746 ( -3.664 0.514 -2.366) 4.392 8.852 ( -0.494 3.094 -0.694) 3.209 8.887 ( -2.321 1.329 -2.788) 3.863 9.244 ( 3.626 5.695 1.286) 6.873 9.301 ( -1.798 6.008 -0.179) 6.274 9.632 ( 4.935 -0.313 2.077) 5.364 9.713 ( -2.606 -3.173 -2.312) 4.712 9.960 ( 5.699 2.126 3.460) 6.998 10.098 ( -5.870 0.596 -2.135) 6.275 10.344 ( 2.846 5.556 2.771) 6.830 10.409 ( -1.114 4.555 -2.441) 5.286 11.138 ( -0.476 -1.118 0.195) 1.230 11.165 ( -2.935 -0.279 -1.527) 3.320 11.527 ( 5.196 2.119 8.583) 10.255 11.706 ( -3.388 -0.881 -10.243) 10.824 11.805 ( 2.223 -3.961 4.080) 6.106 11.860 ( -0.410 -5.794 -1.996) 6.142 12.071 ( 4.860 1.569 -3.126) 5.988 12.110 ( -4.905 4.426 3.025) 7.266 12.328 ( 0.184 2.855 2.761) 3.976 12.371 ( -0.759 3.294 -2.579) 4.252 12.798 ( 2.958 4.904 -0.502) 5.749 12.819 ( -1.416 6.570 2.722) 7.251 13.382 ( -0.029 -5.195 5.308) 7.427 13.505 ( -4.526 -3.833 -8.241) 10.153 13.915 ( 4.798 -4.595 6.331) 9.177 13.967 ( 1.278 1.968 -0.789) 2.476 14.132 ( 7.446 0.849 3.602) 8.315 14.323 ( -8.163 -1.088 -6.007) 10.194 15.118 ( 5.408 -5.723 1.897) 8.099 15.227 ( -6.699 -6.536 -0.379) 9.367 15.262 ( 7.554 4.614 3.666) 9.580 15.437 ( -7.265 0.667 -4.169) 8.403 15.798 ( 3.204 -7.670 7.771) 11.379 15.943 ( -1.917 -5.824 -9.218) 11.071 16.370 ( 7.006 3.620 1.458) 8.020 16.488 ( -8.524 0.025 2.016) 8.759 16.983 ( 2.319 -1.439 5.139) 5.818 17.092 ( -3.018 -2.019 -6.496) 7.442 17.374 ( 4.003 -2.688 5.457) 7.281 17.484 ( -2.709 -1.841 -4.441) 5.518 19.705 ( -0.482 -10.539 -0.049) 10.550 19.730 ( -2.110 -11.403 -2.164) 11.797 20.470 ( 1.266 12.781 0.324) 12.848 20.480 ( -0.113 12.311 0.430) 12.319 22.406 ( 0.914 -12.527 0.385) 12.566 22.419 ( -0.440 -12.022 0.008) 12.030 22.871 ( -1.944 10.133 4.758) 11.362 22.902 ( 1.251 9.779 -5.059) 11.081 27.495 ( 5.852 -20.097 0.252) 20.933 27.617 ( -10.315 -20.803 1.197) 23.251 28.326 ( 4.238 21.886 4.685) 22.779 28.441 ( -1.795 20.809 -6.747) 21.949 30.422 ( 1.884 -3.447 0.820) 4.013 30.445 ( -1.054 -4.108 0.915) 4.338 30.864 ( 6.581 -4.104 10.722) 13.233 30.999 ( 2.317 4.936 -4.257) 6.917 31.120 ( 0.779 -2.088 1.938) 2.953 31.212 ( -0.384 3.028 -1.834) 3.561 31.414 ( -0.608 1.273 1.760) 2.256 31.537 ( -3.178 1.366 -10.590) 11.141 32.625 ( 0.394 -9.560 -0.590) 9.586 32.640 ( -1.174 -9.176 -1.438) 9.362 33.141 ( 2.620 3.201 0.629) 4.184 33.168 ( -1.761 3.276 1.730) 4.101 35.004 ( 0.552 0.316 2.260) 2.348 35.025 ( 0.137 0.421 -0.850) 0.958 35.232 ( 0.970 -2.011 -0.169) 2.239 35.288 ( -3.991 -0.527 -1.726) 4.380 35.443 ( 6.665 -4.222 -2.451) 8.262 35.526 ( -6.428 -4.674 1.833) 8.156 36.882 ( 2.855 9.290 19.593) 21.871 37.147 ( -3.056 13.055 -17.679) 22.188 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -9.543 3.759 -1.113) 10.317 1.804 ( 9.543 3.759 1.113) 10.317 2.124 ( -5.424 -2.785 -3.121) 6.850 2.124 ( 5.424 -2.785 3.121) 6.850 2.452 ( -2.939 -11.311 -2.268) 11.905 2.452 ( 2.939 -11.311 2.268) 11.905 2.871 ( 2.775 7.065 -4.218) 8.683 2.871 ( -2.775 7.065 4.218) 8.683 2.900 ( 0.376 0.401 -6.383) 6.407 2.900 ( -0.376 0.401 6.383) 6.407 3.258 ( -1.045 9.431 -2.654) 9.853 3.258 ( 1.045 9.431 2.654) 9.853 3.487 ( -1.735 1.739 -6.487) 6.937 3.487 ( 1.735 1.739 6.487) 6.937 3.694 ( -0.472 -3.948 -3.382) 5.220 3.694 ( 0.472 -3.948 3.382) 5.220 3.952 ( -5.207 3.378 -5.460) 8.266 3.952 ( 5.207 3.378 5.460) 8.266 4.437 ( -0.185 0.885 -4.667) 4.754 4.437 ( 0.185 0.885 4.667) 4.754 4.739 ( 1.537 -1.971 -3.331) 4.164 4.739 ( -1.537 -1.971 3.331) 4.164 5.136 ( -4.728 1.036 -1.747) 5.146 5.136 ( 4.728 1.036 1.747) 5.146 5.458 ( -5.051 0.524 -2.673) 5.739 5.458 ( 5.051 0.524 2.673) 5.739 5.560 ( 0.095 0.780 -1.832) 1.993 5.560 ( -0.095 0.780 1.832) 1.993 5.886 ( -3.065 0.921 -3.851) 5.007 5.886 ( 3.065 0.921 3.851) 5.007 7.612 ( -5.543 -1.989 -1.317) 6.034 7.612 ( 5.543 -1.989 1.317) 6.034 7.815 ( -12.546 -4.802 -7.420) 15.347 7.815 ( 12.546 -4.802 7.420) 15.347 8.736 ( -4.448 -4.082 -2.911) 6.702 8.736 ( 4.448 -4.082 2.911) 6.702 8.842 ( -2.416 -0.485 -3.331) 4.144 8.842 ( 2.416 -0.485 3.331) 4.144 9.187 ( -2.408 3.775 -1.409) 4.694 9.187 ( 2.408 3.775 1.409) 4.694 9.690 ( -2.832 -0.237 -4.838) 5.611 9.690 ( 2.832 -0.237 4.838) 5.611 9.966 ( -6.930 4.997 -5.568) 10.197 9.966 ( 6.930 4.997 5.568) 10.197 10.328 ( -0.650 1.104 -3.282) 3.523 10.328 ( 0.650 1.104 3.282) 3.523 11.170 ( 3.918 -1.734 -3.297) 5.406 11.170 ( -3.918 -1.734 3.297) 5.406 11.581 ( -6.270 2.743 -10.086) 12.189 11.581 ( 6.270 2.743 10.086) 12.189 11.863 ( -2.552 2.939 -3.316) 5.113 11.863 ( 2.552 2.939 3.316) 5.113 12.133 ( 2.810 -6.571 -6.805) 9.868 12.133 ( -2.810 -6.571 6.805) 9.868 12.301 ( 0.191 1.027 -4.168) 4.297 12.301 ( -0.191 1.027 4.168) 4.297 12.710 ( 1.714 4.912 -1.603) 5.444 12.710 ( -1.714 4.912 1.603) 5.444 13.518 ( -2.804 -4.584 -4.842) 7.233 13.518 ( 2.804 -4.584 4.842) 7.233 13.865 ( 0.824 8.502 -2.883) 9.015 13.865 ( -0.824 8.502 2.883) 9.015 14.335 ( -5.285 -8.910 -11.096) 15.180 14.335 ( 5.285 -8.910 11.096) 15.180 15.185 ( -7.750 6.689 -1.196) 10.307 15.185 ( 7.750 6.689 1.196) 10.307 15.312 ( -6.376 -1.842 -6.335) 9.175 15.312 ( 6.376 -1.842 6.335) 9.175 15.987 ( -3.198 -4.522 -5.189) 7.590 15.987 ( 3.198 -4.522 5.189) 7.590 16.378 ( -7.502 3.254 -4.753) 9.458 16.378 ( 7.502 3.254 4.753) 9.458 17.045 ( -3.428 0.604 -5.048) 6.132 17.045 ( 3.428 0.604 5.048) 6.132 17.468 ( -2.848 -1.299 -4.623) 5.583 17.468 ( 2.848 -1.299 4.623) 5.583 19.902 ( -1.143 -8.254 -2.503) 8.700 19.902 ( 1.143 -8.254 2.503) 8.700 20.307 ( -0.225 4.767 -1.952) 5.156 20.307 ( 0.225 4.767 1.952) 5.156 22.564 ( 0.729 0.716 -2.307) 2.523 22.564 ( -0.729 0.716 2.307) 2.523 22.733 ( -0.636 1.624 -2.406) 2.971 22.733 ( 0.636 1.624 2.406) 2.971 27.864 ( 1.152 -3.622 -1.434) 4.063 27.864 ( -1.152 -3.622 1.434) 4.063 28.075 ( -2.400 2.172 -6.704) 7.445 28.075 ( 2.400 2.172 6.704) 7.445 30.491 ( -1.754 -1.401 -0.328) 2.268 30.491 ( 1.754 -1.401 0.328) 2.268 30.853 ( -2.183 7.716 -2.608) 8.433 30.853 ( 2.183 7.716 2.608) 8.433 31.211 ( 0.319 -3.231 -2.483) 4.087 31.211 ( -0.319 -3.231 2.483) 4.087 31.439 ( 3.703 0.913 -10.186) 10.877 31.439 ( -3.703 0.913 10.186) 10.877 32.770 ( -0.057 -5.910 -4.217) 7.260 32.770 ( 0.057 -5.910 4.217) 7.260 33.077 ( -0.283 5.474 -4.685) 7.210 33.077 ( 0.283 5.474 4.685) 7.210 35.016 ( 0.374 -0.306 -2.022) 2.079 35.016 ( -0.374 -0.306 2.022) 2.079 35.278 ( -2.278 -1.608 -1.804) 3.321 35.278 ( 2.278 -1.608 1.804) 3.321 35.539 ( -4.379 -0.928 -1.802) 4.826 35.539 ( 4.379 -0.928 1.802) 4.826 36.900 ( -9.252 1.170 -8.499) 12.617 36.900 ( 9.252 1.170 8.499) 12.617 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 26.652 0.000 -7.928) 27.806 1.674 ( 13.826 0.000 -12.368) 18.550 1.957 ( -2.416 -0.000 2.655) 3.590 2.000 ( -6.317 -0.000 3.526) 7.235 2.297 ( 21.572 0.000 -11.541) 24.465 2.378 ( -4.598 -0.000 5.329) 7.039 2.524 ( -4.959 -0.000 -5.440) 7.362 2.704 ( 1.529 0.000 -3.578) 3.891 2.758 ( -6.121 -0.000 4.743) 7.744 2.767 ( -3.916 -0.000 4.180) 5.728 3.043 ( 6.300 0.000 2.562) 6.801 3.236 ( -1.844 -0.000 -5.119) 5.441 3.402 ( -0.617 -0.000 -0.347) 0.708 3.593 ( -5.535 -0.000 0.320) 5.544 3.804 ( 4.750 0.000 1.889) 5.112 3.818 ( 1.448 0.000 2.216) 2.647 4.181 ( -8.134 -0.000 2.606) 8.541 4.240 ( 7.138 0.000 10.462) 12.665 4.331 ( -0.899 -0.000 -8.353) 8.401 4.485 ( -2.636 -0.000 6.021) 6.573 4.762 ( 5.419 0.000 -1.651) 5.665 4.966 ( -5.590 -0.000 -5.336) 7.728 5.161 ( 8.341 0.000 -4.757) 9.602 5.202 ( -1.481 -0.000 1.387) 2.029 5.347 ( -0.664 -0.000 3.909) 3.965 5.385 ( 1.700 0.000 3.330) 3.739 5.576 ( 2.811 0.000 -0.016) 2.812 5.613 ( -0.028 -0.000 5.142) 5.142 6.145 ( 0.758 0.000 0.002) 0.758 6.184 ( -4.121 -0.000 2.843) 5.006 7.411 ( -0.102 -0.000 -10.338) 10.338 7.491 ( -5.203 -0.000 -12.548) 13.584 7.935 ( -0.442 -0.000 2.753) 2.788 7.954 ( -0.456 -0.000 -0.244) 0.517 8.765 ( 3.384 0.000 3.121) 4.603 8.944 ( 1.070 0.000 -2.108) 2.364 9.002 ( 2.810 0.000 -4.618) 5.406 9.029 ( -2.517 -0.000 0.290) 2.534 9.331 ( -1.101 -0.000 5.658) 5.764 9.380 ( 6.449 0.000 4.848) 8.068 9.568 ( -3.565 -0.000 -1.456) 3.851 9.673 ( 3.135 0.000 1.972) 3.704 9.950 ( -8.005 -0.000 -9.676) 12.558 9.964 ( -6.605 -0.000 -2.435) 7.039 10.609 ( -2.550 -0.000 3.971) 4.719 10.699 ( 1.706 0.000 -5.408) 5.671 11.131 ( 6.143 0.000 6.994) 9.309 11.253 ( -4.965 -0.000 8.215) 9.599 11.486 ( 7.037 0.000 -4.694) 8.459 11.586 ( 0.024 0.000 -2.816) 2.816 11.785 ( -3.393 -0.000 0.758) 3.477 11.818 ( -2.813 -0.000 -8.517) 8.969 12.287 ( 3.790 0.000 6.869) 7.845 12.295 ( 12.597 0.000 4.617) 13.416 12.447 ( 1.125 0.000 -1.457) 1.841 12.495 ( -4.487 -0.000 2.226) 5.009 12.807 ( 2.216 0.000 -2.336) 3.220 12.987 ( -3.668 -0.000 1.938) 4.149 13.272 ( 0.192 0.000 3.320) 3.326 13.381 ( -3.127 -0.000 -2.226) 3.838 13.710 ( 2.901 0.000 2.123) 3.595 13.756 ( 1.734 0.000 0.109) 1.737 14.346 ( 2.547 0.000 3.589) 4.401 14.395 ( -1.649 -0.000 -0.372) 1.690 14.558 ( 6.900 0.000 11.420) 13.343 14.768 ( -1.592 -0.000 -2.692) 3.127 15.086 ( 4.601 0.000 0.281) 4.609 15.202 ( 3.621 0.000 9.345) 10.022 15.409 ( -2.350 -0.000 -6.335) 6.757 15.927 ( -7.735 -0.000 -13.365) 15.442 16.472 ( 1.452 0.000 3.445) 3.739 16.494 ( 2.805 0.000 0.808) 2.919 16.928 ( -0.164 -0.000 2.550) 2.555 16.978 ( -0.799 -0.000 -1.696) 1.875 17.171 ( 6.461 0.000 6.046) 8.848 17.486 ( -2.354 -0.000 -5.239) 5.744 19.401 ( -1.155 -0.000 -1.922) 2.242 19.625 ( -8.953 -0.000 -7.517) 11.690 21.038 ( 2.422 0.000 -0.758) 2.538 21.092 ( -1.752 -0.000 1.119) 2.079 21.751 ( -0.631 -0.000 6.742) 6.771 21.855 ( 2.027 0.000 -3.813) 4.318 23.189 ( -2.085 -0.000 3.178) 3.801 23.212 ( 1.431 0.000 -4.274) 4.507 26.826 ( 0.819 0.000 0.623) 1.029 26.828 ( 0.676 0.000 0.716) 0.985 29.255 ( 2.558 0.000 0.278) 2.573 29.341 ( -0.439 -0.000 -1.316) 1.387 29.956 ( 12.798 0.000 22.648) 26.014 30.280 ( 0.514 0.000 -2.230) 2.288 30.358 ( 3.791 0.000 4.897) 6.192 30.711 ( 4.518 0.000 -11.806) 12.641 31.048 ( 0.014 0.000 1.632) 1.632 31.430 ( 3.458 0.000 -23.314) 23.570 31.858 ( 4.483 0.000 0.044) 4.483 31.949 ( 3.143 0.000 -3.377) 4.613 32.032 ( 2.029 0.000 -3.630) 4.158 32.073 ( -1.292 -0.000 -1.598) 2.055 33.114 ( 5.423 0.000 -4.378) 6.970 33.259 ( -10.213 -0.000 7.403) 12.614 35.014 ( -0.661 -0.000 0.380) 0.762 35.032 ( 1.168 0.000 -3.423) 3.617 35.110 ( 1.927 0.000 4.495) 4.891 35.250 ( -1.303 -0.000 1.021) 1.655 35.284 ( -0.781 -0.000 4.710) 4.774 35.524 ( -5.835 -0.000 -8.815) 10.571 37.141 ( -0.891 -0.000 34.419) 34.430 38.087 ( -11.351 -0.000 -21.083) 23.944 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 18.365 -11.792 -0.689) 21.836 1.705 ( -5.083 -4.360 -10.998) 12.877 1.865 ( 0.261 6.461 2.673) 6.997 1.928 ( -4.373 2.095 0.700) 4.900 2.353 ( 7.543 -4.310 4.010) 9.568 2.445 ( 2.509 -3.687 -4.947) 6.660 2.559 ( 6.394 -3.424 -3.935) 8.252 2.703 ( -10.114 -6.612 -1.331) 12.156 2.812 ( 2.891 -6.384 6.516) 9.569 2.906 ( -2.556 -11.494 -0.841) 11.805 3.105 ( 4.355 0.234 5.459) 6.987 3.204 ( -0.478 0.489 -5.956) 5.995 3.382 ( 1.865 2.295 2.221) 3.699 3.498 ( -7.074 3.224 -3.473) 8.514 3.776 ( 5.610 5.245 4.656) 8.982 3.862 ( -0.645 0.622 -1.807) 2.017 4.136 ( -3.517 2.013 5.007) 6.442 4.225 ( -3.269 3.278 -8.851) 9.989 4.354 ( 6.234 0.739 8.442) 10.520 4.467 ( -2.995 1.307 1.055) 3.434 4.791 ( 3.487 0.676 -1.069) 3.709 4.856 ( -3.923 4.297 -2.619) 6.381 5.220 ( 5.388 -4.180 -2.300) 7.197 5.251 ( 1.428 -3.349 -0.215) 3.647 5.305 ( -0.267 3.744 4.165) 5.607 5.389 ( -2.827 0.480 -5.729) 6.407 5.608 ( 2.050 -0.605 6.186) 6.545 5.656 ( 0.045 -1.084 0.210) 1.105 6.083 ( 0.992 6.638 2.006) 7.005 6.131 ( -3.636 4.037 -0.036) 5.433 7.390 ( 1.400 -2.430 -4.334) 5.163 7.437 ( -2.708 -3.584 -7.528) 8.766 7.899 ( 1.114 5.238 -0.410) 5.371 7.915 ( -2.108 3.340 2.261) 4.551 8.776 ( 4.238 4.056 3.580) 6.872 8.885 ( -3.490 4.873 -3.617) 7.001 8.960 ( 0.572 2.459 1.230) 2.808 8.994 ( -0.872 2.635 -3.264) 4.284 9.370 ( 0.188 -0.368 3.391) 3.416 9.404 ( 1.088 0.698 -2.143) 2.502 9.598 ( 1.171 -2.058 6.353) 6.780 9.694 ( 2.584 1.911 -0.803) 3.312 9.876 ( -3.001 -4.063 -4.105) 6.508 9.945 ( -5.537 -5.262 -2.872) 8.160 10.582 ( -0.596 4.933 5.082) 7.107 10.628 ( 1.656 5.429 -5.798) 8.114 11.181 ( 0.481 3.135 5.614) 6.448 11.229 ( -0.757 2.408 0.351) 2.549 11.493 ( 1.702 0.124 1.575) 2.322 11.573 ( -0.884 -2.545 -6.913) 7.419 11.768 ( 0.537 -0.106 0.706) 0.893 11.787 ( -0.584 -0.495 -2.421) 2.539 12.278 ( 6.243 6.338 4.632) 10.030 12.347 ( 0.453 4.863 0.823) 4.953 12.416 ( 0.432 2.516 1.316) 2.872 12.463 ( -2.176 1.461 -3.321) 4.231 12.833 ( 5.520 -0.341 3.903) 6.769 12.950 ( -4.651 0.632 -1.582) 4.953 13.306 ( 0.519 -0.655 6.835) 6.886 13.397 ( -2.003 -4.242 -5.616) 7.317 13.742 ( 2.365 -0.584 2.063) 3.192 13.774 ( 0.497 -2.260 -0.767) 2.438 14.329 ( 3.329 3.578 4.243) 6.472 14.406 ( -2.627 -0.727 -1.944) 3.348 14.785 ( 4.670 -11.690 2.023) 12.750 14.865 ( -4.265 -11.298 -0.604) 12.091 15.166 ( 3.260 -4.555 4.610) 7.255 15.283 ( -3.151 -5.242 -4.658) 7.688 15.507 ( 7.619 -6.887 13.085) 16.634 15.815 ( -8.748 -3.800 -14.443) 17.308 16.471 ( 1.336 2.493 1.952) 3.436 16.481 ( 0.550 2.590 1.349) 2.972 16.938 ( 0.295 -0.200 3.183) 3.203 16.985 ( -0.932 -2.177 -3.633) 4.337 17.284 ( 6.073 -2.391 6.431) 9.163 17.437 ( -4.051 -0.954 -5.987) 7.291 19.432 ( 1.332 -3.602 0.150) 3.843 19.524 ( -6.351 -0.866 -5.175) 8.238 20.936 ( 2.991 11.301 -1.620) 11.802 20.959 ( -2.450 11.809 1.946) 12.216 21.914 ( -0.130 -12.398 5.410) 13.528 21.964 ( 0.769 -11.669 -4.053) 12.377 23.147 ( -2.379 4.729 3.737) 6.480 23.160 ( 1.759 4.350 -4.540) 6.529 26.926 ( 1.960 -9.979 0.156) 10.171 26.958 ( -2.899 -13.032 0.931) 13.383 29.084 ( 3.835 18.342 3.425) 19.049 29.168 ( -1.693 16.416 -3.530) 16.877 30.248 ( 5.328 -7.767 7.364) 11.955 30.316 ( -1.777 -3.725 0.342) 4.141 30.511 ( 5.896 -7.921 18.489) 20.960 30.751 ( 1.912 -8.893 -14.250) 16.906 31.094 ( 3.309 -1.674 6.040) 7.088 31.313 ( -2.088 -0.756 -20.443) 20.564 31.721 ( 2.265 11.852 0.877) 12.099 31.754 ( 0.634 12.514 -3.258) 12.947 32.207 ( 3.814 -12.700 -2.233) 13.447 32.253 ( -3.408 -12.885 -0.054) 13.328 33.147 ( 7.722 -0.873 -4.956) 9.217 33.220 ( -9.640 -0.052 6.646) 11.709 35.011 ( 1.128 0.012 0.034) 1.129 35.032 ( -1.022 -0.443 -0.609) 1.270 35.162 ( 4.813 -0.774 2.944) 5.695 35.272 ( -5.237 -2.812 -0.047) 5.945 35.314 ( 2.131 -0.793 3.777) 4.409 35.424 ( -4.937 0.233 -6.972) 8.546 37.272 ( 3.888 8.526 33.189) 34.487 37.728 ( -8.874 13.480 -27.819) 32.162 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.560 -6.025 -4.239) 7.530 1.675 ( -1.560 -6.025 4.239) 7.530 1.891 ( 9.675 -3.652 -8.235) 13.220 1.891 ( -9.675 -3.652 8.235) 13.220 2.435 ( 0.092 3.340 -1.372) 3.612 2.435 ( -0.092 3.340 1.372) 3.612 2.777 ( -10.391 -10.087 -3.768) 14.964 2.777 ( 10.391 -10.087 3.768) 14.964 3.029 ( -1.787 -2.164 -3.549) 4.524 3.029 ( 1.787 -2.164 3.549) 4.524 3.154 ( -6.944 -6.293 -4.228) 10.281 3.154 ( 6.944 -6.293 4.228) 10.281 3.420 ( -3.297 -2.567 -2.212) 4.728 3.420 ( 3.297 -2.567 2.212) 4.728 3.754 ( -5.932 5.557 -6.154) 10.195 3.754 ( 5.932 5.557 6.154) 10.195 4.101 ( -0.101 3.964 -5.757) 6.991 4.101 ( 0.101 3.964 5.757) 6.991 4.420 ( -2.623 -0.143 -5.472) 6.070 4.420 ( 2.623 -0.143 5.472) 6.070 4.761 ( -1.919 3.137 -1.336) 3.913 4.761 ( 1.919 3.137 1.336) 3.913 5.265 ( -0.981 3.577 -4.185) 5.592 5.265 ( 0.981 3.577 4.185) 5.592 5.366 ( -1.538 -6.535 -4.671) 8.179 5.366 ( 1.538 -6.535 4.671) 8.179 5.629 ( 0.807 2.954 -4.190) 5.190 5.629 ( -0.807 2.954 4.190) 5.190 5.996 ( -4.905 5.966 -2.637) 8.161 5.996 ( 4.905 5.966 2.637) 8.161 7.476 ( -1.110 -5.452 -3.404) 6.522 7.476 ( 1.110 -5.452 3.404) 6.522 7.811 ( -3.022 5.493 -0.687) 6.307 7.811 ( 3.022 5.493 0.687) 6.307 8.744 ( -4.172 4.327 -2.865) 6.659 8.744 ( 4.172 4.327 2.865) 6.659 8.916 ( 0.747 3.531 -2.192) 4.222 8.916 ( -0.747 3.531 2.192) 4.222 9.365 ( -0.578 3.339 -1.936) 3.903 9.365 ( 0.578 3.339 1.936) 3.903 9.657 ( 1.617 -0.535 -3.615) 3.995 9.657 ( -1.617 -0.535 3.615) 3.995 9.994 ( -6.231 -4.933 -2.193) 8.244 9.994 ( 6.231 -4.933 2.193) 8.244 10.491 ( 1.952 7.025 -6.091) 9.501 10.491 ( -1.952 7.025 6.091) 9.501 11.153 ( 0.427 2.153 -5.471) 5.895 11.153 ( -0.427 2.153 5.471) 5.895 11.583 ( -0.527 -3.999 -10.148) 10.920 11.583 ( 0.527 -3.999 10.148) 10.920 11.783 ( -0.862 -0.648 -2.417) 2.647 11.783 ( 0.862 -0.648 2.417) 2.647 12.203 ( -0.219 7.689 -2.701) 8.153 12.203 ( 0.219 7.689 2.701) 8.153 12.395 ( -0.750 2.347 -3.620) 4.379 12.395 ( 0.750 2.347 3.620) 4.379 12.886 ( -2.853 1.848 -2.279) 4.092 12.886 ( 2.853 1.848 2.279) 4.092 13.381 ( -2.511 -1.385 -8.753) 9.211 13.381 ( 2.511 -1.385 8.753) 9.211 13.848 ( -0.900 -7.592 -5.506) 9.421 13.848 ( 0.900 -7.592 5.506) 9.421 14.306 ( -4.107 5.931 -6.521) 9.725 14.306 ( 4.107 5.931 6.521) 9.725 15.027 ( -3.608 -10.137 -1.333) 10.842 15.027 ( 3.608 -10.137 1.333) 10.842 15.322 ( -2.105 -5.200 -6.287) 8.426 15.322 ( 2.105 -5.200 6.287) 8.426 15.765 ( -5.386 -5.582 -12.687) 14.871 15.765 ( 5.386 -5.582 12.687) 14.871 16.450 ( 4.282 1.020 -2.204) 4.923 16.450 ( -4.282 1.020 2.204) 4.923 16.992 ( -1.573 -2.479 -5.427) 6.170 16.992 ( 1.573 -2.479 5.427) 6.170 17.397 ( -4.280 -1.880 -5.786) 7.438 17.397 ( 4.280 -1.880 5.786) 7.438 19.543 ( -1.983 -7.069 -0.750) 7.380 19.543 ( 1.983 -7.069 0.750) 7.380 20.717 ( 2.869 13.821 -2.700) 14.372 20.717 ( -2.869 13.821 2.700) 14.372 22.180 ( 1.112 -13.841 -4.187) 14.503 22.180 ( -1.112 -13.841 4.187) 14.503 23.041 ( 2.254 7.619 -5.121) 9.453 23.041 ( -2.254 7.619 5.121) 9.453 27.206 ( -6.157 -17.743 0.422) 18.786 27.206 ( 6.157 -17.743 -0.422) 18.786 28.772 ( -3.003 21.742 -5.209) 22.558 28.772 ( 3.003 21.742 5.209) 22.558 30.372 ( 1.827 -3.702 -1.229) 4.307 30.372 ( -1.827 -3.702 1.229) 4.307 30.840 ( -4.008 -10.521 -15.106) 18.840 30.840 ( 4.008 -10.521 15.106) 18.840 31.203 ( -2.832 0.727 -12.694) 13.026 31.203 ( 2.832 0.727 12.694) 13.026 31.544 ( 0.066 8.607 -5.233) 10.073 31.544 ( -0.066 8.607 5.233) 10.073 32.443 ( 1.845 -11.427 -1.256) 11.643 32.443 ( -1.845 -11.427 1.256) 11.643 33.189 ( 7.304 0.299 -5.846) 9.360 33.189 ( -7.304 0.299 5.846) 9.360 35.024 ( 0.285 0.092 -1.484) 1.514 35.024 ( -0.285 0.092 1.484) 1.514 35.234 ( -5.483 -0.618 -2.339) 5.993 35.234 ( 5.483 -0.618 2.339) 5.993 35.403 ( -4.771 -3.978 -0.652) 6.246 35.403 ( 4.771 -3.978 0.652) 6.246 37.258 ( -3.235 14.876 -27.601) 31.521 37.258 ( 3.235 14.876 27.601) 31.521 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -19.371 -0.000 -9.301) 21.489 1.504 ( 19.371 0.000 9.301) 21.489 1.937 ( 3.275 0.000 -4.697) 5.726 1.937 ( -3.275 -0.000 4.697) 5.726 2.360 ( 5.255 0.000 -6.443) 8.314 2.360 ( -5.255 -0.000 6.443) 8.314 2.592 ( 15.412 0.000 -6.126) 16.584 2.592 ( -15.412 -0.000 6.126) 16.584 2.763 ( 2.195 0.000 -4.752) 5.235 2.763 ( -2.195 -0.000 4.752) 5.235 3.161 ( -1.953 -0.000 -4.837) 5.217 3.161 ( 1.953 0.000 4.837) 5.217 3.471 ( -5.420 -0.000 -4.755) 7.210 3.471 ( 5.420 0.000 4.755) 7.210 3.855 ( 0.613 0.000 -1.759) 1.863 3.855 ( -0.613 -0.000 1.759) 1.863 4.192 ( -0.726 -0.000 -9.225) 9.253 4.192 ( 0.726 0.000 9.225) 9.253 4.441 ( -5.584 -0.000 -3.542) 6.613 4.441 ( 5.584 0.000 3.542) 6.613 4.838 ( -4.937 -0.000 -2.108) 5.368 4.838 ( 4.937 0.000 2.108) 5.368 5.209 ( 4.026 0.000 -4.638) 6.142 5.209 ( -4.026 -0.000 4.638) 6.142 5.367 ( 1.445 0.000 -4.569) 4.792 5.367 ( -1.445 -0.000 4.569) 4.792 5.631 ( -1.225 -0.000 -0.637) 1.380 5.631 ( 1.225 0.000 0.637) 1.380 6.153 ( 2.458 0.000 -1.806) 3.050 6.153 ( -2.458 -0.000 1.806) 3.050 7.363 ( -2.041 -0.000 -0.028) 2.041 7.363 ( 2.041 0.000 0.028) 2.041 7.947 ( 0.816 0.000 -1.501) 1.708 7.947 ( -0.816 -0.000 1.501) 1.708 8.874 ( -4.631 -0.000 -3.887) 6.046 8.874 ( 4.631 0.000 3.887) 6.046 9.009 ( 2.096 0.000 -1.693) 2.694 9.009 ( -2.096 -0.000 1.693) 2.694 9.384 ( -1.672 -0.000 -4.375) 4.683 9.384 ( 1.672 0.000 4.375) 4.683 9.663 ( -5.342 -0.000 -10.120) 11.444 9.663 ( 5.342 0.000 10.120) 11.444 9.827 ( -4.407 -0.000 -4.107) 6.024 9.827 ( 4.407 0.000 4.107) 6.024 10.657 ( 0.534 0.000 -5.608) 5.633 10.657 ( -0.534 -0.000 5.608) 5.633 11.255 ( 5.079 0.000 -2.848) 5.823 11.255 ( -5.079 -0.000 2.848) 5.823 11.514 ( -3.138 -0.000 -0.334) 3.156 11.514 ( 3.138 0.000 0.334) 3.156 11.765 ( 2.261 0.000 -2.443) 3.329 11.765 ( -2.261 -0.000 2.443) 3.329 12.393 ( 1.156 0.000 -5.157) 5.285 12.393 ( -1.156 -0.000 5.157) 5.285 12.452 ( 2.385 0.000 -1.419) 2.775 12.452 ( -2.385 -0.000 1.419) 2.775 12.896 ( -5.843 -0.000 -2.965) 6.552 12.896 ( 5.843 0.000 2.965) 6.552 13.324 ( -1.869 -0.000 -2.112) 2.820 13.324 ( 1.869 0.000 2.112) 2.820 13.759 ( -0.512 -0.000 -1.447) 1.535 13.759 ( 0.512 0.000 1.447) 1.535 14.374 ( -0.305 -0.000 -0.786) 0.844 14.374 ( 0.305 0.000 0.786) 0.844 14.718 ( -1.709 -0.000 -4.223) 4.556 14.718 ( 1.709 0.000 4.223) 4.556 15.177 ( -4.926 -0.000 -2.996) 5.766 15.177 ( 4.926 0.000 2.996) 5.766 15.607 ( -10.290 -0.000 -17.609) 20.395 15.607 ( 10.290 0.000 17.609) 20.395 16.511 ( 0.243 0.000 -1.666) 1.684 16.511 ( -0.243 -0.000 1.666) 1.684 16.952 ( 0.071 0.000 -2.156) 2.157 16.952 ( -0.071 -0.000 2.156) 2.157 17.348 ( -6.098 -0.000 -7.067) 9.334 17.348 ( 6.098 0.000 7.067) 9.334 19.442 ( -5.078 -0.000 -4.049) 6.494 19.442 ( 5.078 0.000 4.049) 6.494 21.068 ( -2.342 -0.000 0.531) 2.402 21.068 ( 2.342 0.000 -0.531) 2.402 21.817 ( 0.282 0.000 -5.707) 5.714 21.817 ( -0.282 -0.000 5.707) 5.714 23.193 ( 2.033 0.000 -3.605) 4.139 23.193 ( -2.033 -0.000 3.605) 4.139 26.837 ( 0.070 0.000 -0.041) 0.081 26.837 ( -0.070 -0.000 0.041) 0.081 29.306 ( -2.305 -0.000 -1.142) 2.572 29.306 ( 2.305 0.000 1.142) 2.572 30.236 ( 0.610 0.000 -9.609) 9.628 30.236 ( -0.610 -0.000 9.609) 9.628 30.578 ( -1.645 -0.000 -19.259) 19.330 30.578 ( 1.645 0.000 19.259) 19.330 31.163 ( -5.437 -0.000 -14.096) 15.108 31.163 ( 5.437 0.000 14.096) 15.108 31.927 ( -1.659 -0.000 -2.621) 3.102 31.927 ( 1.659 0.000 2.621) 3.102 32.039 ( 3.469 0.000 -2.482) 4.266 32.039 ( -3.469 -0.000 2.482) 4.266 33.175 ( 9.520 0.000 -5.690) 11.091 33.175 ( -9.520 -0.000 5.690) 11.091 35.017 ( 0.463 0.000 -1.505) 1.575 35.017 ( -0.463 -0.000 1.505) 1.575 35.210 ( -3.024 -0.000 -3.512) 4.634 35.210 ( 3.024 0.000 3.512) 4.634 35.354 ( -3.190 -0.000 -6.463) 7.208 35.354 ( 3.190 0.000 6.463) 7.208 37.600 ( -9.456 -0.000 -33.244) 34.563 37.600 ( 9.456 0.000 33.244) 34.563 =================== 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 3/41472 10.0 292.921 185.466 133.672 0.000 40.700 0.000 3/41472 20.0 50.306 40.695 23.231 0.000 4.412 0.000 3/41472 30.0 20.210 17.337 9.733 0.000 1.294 0.000 3/41472 40.0 11.703 10.304 5.865 0.000 0.612 0.000 3/41472 50.0 8.087 7.196 4.191 0.000 0.389 0.000 3/41472 60.0 6.163 5.505 3.278 0.000 0.293 0.000 3/41472 70.0 4.985 4.458 2.705 0.000 0.243 0.000 3/41472 80.0 4.193 3.750 2.311 0.000 0.212 0.000 3/41472 90.0 3.624 3.243 2.024 0.000 0.191 0.000 3/41472 100.0 3.197 2.862 1.805 0.000 0.176 0.000 3/41472 110.0 2.863 2.567 1.634 0.000 0.164 0.000 3/41472 120.0 2.596 2.333 1.496 0.000 0.154 0.000 3/41472 130.0 2.378 2.144 1.382 0.000 0.147 0.000 3/41472 140.0 2.196 1.988 1.287 0.000 0.140 0.000 3/41472 150.0 2.041 1.857 1.207 0.000 0.134 0.000 3/41472 160.0 1.909 1.748 1.138 0.000 0.129 0.000 3/41472 170.0 1.795 1.654 1.078 0.000 0.124 0.000 3/41472 180.0 1.695 1.574 1.026 0.000 0.120 0.000 3/41472 190.0 1.607 1.505 0.980 0.000 0.116 0.000 3/41472 200.0 1.530 1.445 0.939 0.000 0.112 0.000 3/41472 210.0 1.460 1.393 0.902 0.000 0.109 0.000 3/41472 220.0 1.398 1.346 0.870 0.000 0.105 0.000 3/41472 230.0 1.342 1.305 0.841 0.000 0.102 0.000 3/41472 240.0 1.292 1.269 0.814 0.000 0.098 0.000 3/41472 250.0 1.246 1.236 0.791 0.000 0.095 0.000 3/41472 260.0 1.204 1.206 0.769 0.000 0.092 0.000 3/41472 270.0 1.166 1.179 0.749 0.000 0.089 0.000 3/41472 280.0 1.130 1.154 0.731 0.000 0.086 0.000 3/41472 290.0 1.098 1.131 0.714 0.000 0.083 0.000 3/41472 300.0 1.068 1.110 0.699 0.000 0.081 0.000 3/41472 310.0 1.040 1.090 0.684 0.000 0.078 0.000 3/41472 320.0 1.014 1.072 0.671 0.000 0.075 0.000 3/41472 330.0 0.989 1.054 0.659 0.000 0.073 0.000 3/41472 340.0 0.967 1.038 0.647 0.000 0.070 0.000 3/41472 350.0 0.945 1.022 0.636 0.000 0.068 0.000 3/41472 360.0 0.925 1.007 0.625 0.000 0.066 0.000 3/41472 370.0 0.906 0.992 0.615 0.000 0.064 0.000 3/41472 380.0 0.888 0.978 0.606 0.000 0.062 0.000 3/41472 390.0 0.871 0.965 0.597 0.000 0.059 0.000 3/41472 400.0 0.854 0.952 0.588 0.000 0.058 0.000 3/41472 410.0 0.838 0.939 0.580 0.000 0.056 0.000 3/41472 420.0 0.824 0.927 0.572 0.000 0.054 0.000 3/41472 430.0 0.809 0.915 0.564 0.000 0.052 0.000 3/41472 440.0 0.795 0.904 0.556 0.000 0.051 0.000 3/41472 450.0 0.782 0.892 0.549 0.000 0.049 0.000 3/41472 460.0 0.770 0.881 0.542 0.000 0.047 0.000 3/41472 470.0 0.757 0.870 0.535 0.000 0.046 0.000 3/41472 480.0 0.746 0.860 0.529 0.000 0.045 0.000 3/41472 490.0 0.734 0.849 0.522 0.000 0.043 0.000 3/41472 500.0 0.723 0.839 0.516 0.000 0.042 0.000 3/41472 510.0 0.712 0.829 0.510 0.000 0.041 0.000 3/41472 520.0 0.702 0.820 0.504 0.000 0.039 0.000 3/41472 530.0 0.692 0.810 0.498 0.000 0.038 0.000 3/41472 540.0 0.682 0.801 0.492 0.000 0.037 0.000 3/41472 550.0 0.673 0.791 0.486 0.000 0.036 0.000 3/41472 560.0 0.664 0.782 0.481 0.000 0.035 0.000 3/41472 570.0 0.655 0.774 0.475 0.000 0.034 0.000 3/41472 580.0 0.646 0.765 0.470 0.000 0.033 0.000 3/41472 590.0 0.638 0.756 0.465 0.000 0.032 0.000 3/41472 600.0 0.629 0.748 0.460 0.000 0.032 0.000 3/41472 610.0 0.621 0.740 0.455 0.000 0.031 0.000 3/41472 620.0 0.613 0.732 0.450 0.000 0.030 0.000 3/41472 630.0 0.606 0.724 0.445 0.000 0.029 0.000 3/41472 640.0 0.598 0.716 0.440 0.000 0.029 0.000 3/41472 650.0 0.591 0.708 0.436 0.000 0.028 0.000 3/41472 660.0 0.584 0.700 0.431 0.000 0.027 0.000 3/41472 670.0 0.577 0.693 0.426 0.000 0.026 0.000 3/41472 680.0 0.570 0.686 0.422 0.000 0.026 0.000 3/41472 690.0 0.563 0.679 0.418 0.000 0.025 0.000 3/41472 700.0 0.557 0.672 0.413 0.000 0.025 0.000 3/41472 710.0 0.551 0.665 0.409 0.000 0.024 0.000 3/41472 720.0 0.544 0.658 0.405 0.000 0.024 0.000 3/41472 730.0 0.538 0.651 0.401 0.000 0.023 0.000 3/41472 740.0 0.532 0.645 0.397 0.000 0.023 0.000 3/41472 750.0 0.526 0.638 0.393 0.000 0.022 0.000 3/41472 760.0 0.521 0.632 0.389 0.000 0.022 0.000 3/41472 770.0 0.515 0.625 0.386 0.000 0.021 0.000 3/41472 780.0 0.510 0.619 0.382 0.000 0.021 0.000 3/41472 790.0 0.504 0.613 0.378 0.000 0.020 0.000 3/41472 800.0 0.499 0.607 0.375 0.000 0.020 0.000 3/41472 810.0 0.494 0.601 0.371 0.000 0.020 0.000 3/41472 820.0 0.489 0.596 0.368 0.000 0.019 0.000 3/41472 830.0 0.484 0.590 0.364 0.000 0.019 0.000 3/41472 840.0 0.479 0.585 0.361 0.000 0.018 0.000 3/41472 850.0 0.474 0.579 0.358 0.000 0.018 0.000 3/41472 860.0 0.469 0.574 0.354 0.000 0.018 0.000 3/41472 870.0 0.465 0.568 0.351 0.000 0.017 0.000 3/41472 880.0 0.460 0.563 0.348 0.000 0.017 0.000 3/41472 890.0 0.456 0.558 0.345 0.000 0.017 0.000 3/41472 900.0 0.452 0.553 0.342 0.000 0.017 0.000 3/41472 910.0 0.447 0.548 0.339 0.000 0.016 0.000 3/41472 920.0 0.443 0.543 0.336 0.000 0.016 0.000 3/41472 930.0 0.439 0.538 0.333 0.000 0.016 0.000 3/41472 940.0 0.435 0.534 0.330 0.000 0.015 0.000 3/41472 950.0 0.431 0.529 0.327 0.000 0.015 0.000 3/41472 960.0 0.427 0.524 0.324 0.000 0.015 0.000 3/41472 970.0 0.423 0.520 0.322 0.000 0.015 0.000 3/41472 980.0 0.419 0.515 0.319 0.000 0.015 0.000 3/41472 990.0 0.416 0.511 0.316 0.000 0.014 0.000 3/41472 1000.0 0.412 0.507 0.314 0.000 0.014 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:50:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|