----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:56:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.670058100514853 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -1.014767106461736 0.000000000000000 6.998070865580751 Atomic positions (fractional): *1 C 0.24898287244388 0.41602873897164 0.24260179492559 12.011 2 C 0.24898287244388 0.08397126102836 0.74260179492559 12.011 3 C 0.75101712755612 0.58397126102836 0.75739820507441 12.011 4 C 0.75101712755612 0.91602873897164 0.25739820507441 12.011 *5 O 0.43723546546575 0.15549936730878 0.72113460979956 15.999 6 O 0.56276453453425 0.65549936730878 0.77886539020044 15.999 7 O 0.56276453453425 0.84450063269122 0.27886539020044 15.999 8 O 0.43723546546575 0.34450063269122 0.22113460979956 15.999 *9 O 0.07439603227705 0.13963668949467 0.81502932536486 15.999 10 O 0.07439603227705 0.36036331050533 0.31502932536486 15.999 11 O 0.92560396772295 0.86036331050533 0.18497067463514 15.999 12 O 0.92560396772295 0.63963668949467 0.68497067463514 15.999 *13 O 0.76385605543514 0.04363900357722 0.31251782190746 15.999 14 O 0.23614394456486 0.54363900357722 0.18748217809254 15.999 15 O 0.23614394456486 0.95636099642278 0.68748217809254 15.999 16 O 0.76385605543514 0.45636099642278 0.81251782190746 15.999 *17 K 0.76032768696019 0.23025077334914 0.02752017534936 39.098 18 K 0.23967231303981 0.73025077334914 0.47247982465064 39.098 19 K 0.23967231303981 0.76974922665086 0.97247982465064 39.098 20 K 0.76032768696019 0.26974922665086 0.52752017534936 39.098 *21 K 0.26024995064756 0.41842588621850 0.80943341555305 39.098 22 K 0.73975004935244 0.91842588621850 0.69056658444695 39.098 23 K 0.73975004935244 0.58157411378150 0.19056658444695 39.098 24 K 0.26024995064756 0.08157411378150 0.30943341555305 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.670058100514853 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -1.014767106461736 0.000000000000000 6.998070865580751 Atomic positions (fractional): *1 C 0.24898287244388 0.41602873897164 0.24260179492559 12.011 > 1 2 C 0.24898287244388 0.08397126102836 0.74260179492559 12.011 > 2 3 C 0.75101712755612 0.58397126102836 0.75739820507441 12.011 > 3 4 C 0.75101712755612 0.91602873897164 0.25739820507441 12.011 > 4 *5 O 0.43723546546575 0.15549936730878 0.72113460979956 15.999 > 5 6 O 0.56276453453425 0.65549936730878 0.77886539020044 15.999 > 6 7 O 0.56276453453425 0.84450063269122 0.27886539020044 15.999 > 7 8 O 0.43723546546575 0.34450063269122 0.22113460979956 15.999 > 8 *9 O 0.07439603227705 0.13963668949467 0.81502932536486 15.999 > 9 10 O 0.07439603227705 0.36036331050533 0.31502932536486 15.999 > 10 11 O 0.92560396772295 0.86036331050533 0.18497067463514 15.999 > 11 12 O 0.92560396772295 0.63963668949467 0.68497067463514 15.999 > 12 *13 O 0.76385605543514 0.04363900357722 0.31251782190746 15.999 > 13 14 O 0.23614394456486 0.54363900357722 0.18748217809254 15.999 > 14 15 O 0.23614394456486 0.95636099642278 0.68748217809254 15.999 > 15 16 O 0.76385605543514 0.45636099642278 0.81251782190746 15.999 > 16 *17 K 0.76032768696019 0.23025077334914 0.02752017534936 39.098 > 17 18 K 0.23967231303981 0.73025077334914 0.47247982465064 39.098 > 18 19 K 0.23967231303981 0.76974922665086 0.97247982465064 39.098 > 19 20 K 0.76032768696019 0.26974922665086 0.52752017534936 39.098 > 20 *21 K 0.26024995064756 0.41842588621850 0.80943341555305 39.098 > 21 22 K 0.73975004935244 0.91842588621850 0.69056658444695 39.098 > 22 23 K 0.73975004935244 0.58157411378150 0.19056658444695 39.098 > 23 24 K 0.26024995064756 0.08157411378150 0.30943341555305 39.098 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.340116201029707 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -2.029534212923472 0.000000000000000 13.996141731161503 Atomic positions (fractional): *1 C 0.12449143622194 0.41602873897164 0.12130089746280 12.011 > 1 2 C 0.62449143622194 0.41602873897164 0.12130089746280 12.011 > 1 3 C 0.12449143622194 0.41602873897164 0.62130089746280 12.011 > 1 4 C 0.62449143622194 0.41602873897164 0.62130089746280 12.011 > 1 5 C 0.12449143622194 0.08397126102836 0.37130089746280 12.011 > 2 6 C 0.62449143622194 0.08397126102836 0.37130089746280 12.011 > 2 7 C 0.12449143622194 0.08397126102836 0.87130089746280 12.011 > 2 8 C 0.62449143622194 0.08397126102836 0.87130089746280 12.011 > 2 9 C 0.37550856377806 0.58397126102836 0.37869910253720 12.011 > 3 10 C 0.87550856377806 0.58397126102836 0.37869910253720 12.011 > 3 11 C 0.37550856377806 0.58397126102836 0.87869910253720 12.011 > 3 12 C 0.87550856377806 0.58397126102836 0.87869910253720 12.011 > 3 13 C 0.37550856377806 0.91602873897164 0.12869910253720 12.011 > 4 14 C 0.87550856377806 0.91602873897164 0.12869910253720 12.011 > 4 15 C 0.37550856377806 0.91602873897164 0.62869910253720 12.011 > 4 16 C 0.87550856377806 0.91602873897164 0.62869910253720 12.011 > 4 *17 O 0.21861773273287 0.15549936730878 0.36056730489978 15.999 > 5 18 O 0.71861773273287 0.15549936730878 0.36056730489978 15.999 > 5 19 O 0.21861773273287 0.15549936730878 0.86056730489978 15.999 > 5 20 O 0.71861773273287 0.15549936730878 0.86056730489978 15.999 > 5 21 O 0.28138226726713 0.65549936730878 0.38943269510022 15.999 > 6 22 O 0.78138226726713 0.65549936730878 0.38943269510022 15.999 > 6 23 O 0.28138226726713 0.65549936730878 0.88943269510022 15.999 > 6 24 O 0.78138226726713 0.65549936730878 0.88943269510022 15.999 > 6 25 O 0.28138226726713 0.84450063269122 0.13943269510022 15.999 > 7 26 O 0.78138226726713 0.84450063269122 0.13943269510022 15.999 > 7 27 O 0.28138226726713 0.84450063269122 0.63943269510022 15.999 > 7 28 O 0.78138226726713 0.84450063269122 0.63943269510022 15.999 > 7 29 O 0.21861773273287 0.34450063269122 0.11056730489978 15.999 > 8 30 O 0.71861773273287 0.34450063269122 0.11056730489978 15.999 > 8 31 O 0.21861773273287 0.34450063269122 0.61056730489978 15.999 > 8 32 O 0.71861773273287 0.34450063269122 0.61056730489978 15.999 > 8 *33 O 0.03719801613853 0.13963668949467 0.40751466268243 15.999 > 9 34 O 0.53719801613853 0.13963668949467 0.40751466268243 15.999 > 9 35 O 0.03719801613853 0.13963668949467 0.90751466268243 15.999 > 9 36 O 0.53719801613853 0.13963668949467 0.90751466268243 15.999 > 9 37 O 0.03719801613853 0.36036331050533 0.15751466268243 15.999 > 10 38 O 0.53719801613853 0.36036331050533 0.15751466268243 15.999 > 10 39 O 0.03719801613853 0.36036331050533 0.65751466268243 15.999 > 10 40 O 0.53719801613853 0.36036331050533 0.65751466268243 15.999 > 10 41 O 0.46280198386147 0.86036331050533 0.09248533731757 15.999 > 11 42 O 0.96280198386147 0.86036331050533 0.09248533731757 15.999 > 11 43 O 0.46280198386147 0.86036331050533 0.59248533731757 15.999 > 11 44 O 0.96280198386147 0.86036331050533 0.59248533731757 15.999 > 11 45 O 0.46280198386147 0.63963668949467 0.34248533731757 15.999 > 12 46 O 0.96280198386147 0.63963668949467 0.34248533731757 15.999 > 12 47 O 0.46280198386147 0.63963668949467 0.84248533731757 15.999 > 12 48 O 0.96280198386147 0.63963668949467 0.84248533731757 15.999 > 12 *49 O 0.38192802771757 0.04363900357722 0.15625891095373 15.999 > 13 50 O 0.88192802771757 0.04363900357722 0.15625891095373 15.999 > 13 51 O 0.38192802771757 0.04363900357722 0.65625891095373 15.999 > 13 52 O 0.88192802771757 0.04363900357722 0.65625891095373 15.999 > 13 53 O 0.11807197228243 0.54363900357722 0.09374108904627 15.999 > 14 54 O 0.61807197228243 0.54363900357722 0.09374108904627 15.999 > 14 55 O 0.11807197228243 0.54363900357722 0.59374108904627 15.999 > 14 56 O 0.61807197228243 0.54363900357722 0.59374108904627 15.999 > 14 57 O 0.11807197228243 0.95636099642278 0.34374108904627 15.999 > 15 58 O 0.61807197228243 0.95636099642278 0.34374108904627 15.999 > 15 59 O 0.11807197228243 0.95636099642278 0.84374108904627 15.999 > 15 60 O 0.61807197228243 0.95636099642278 0.84374108904627 15.999 > 15 61 O 0.38192802771757 0.45636099642278 0.40625891095373 15.999 > 16 62 O 0.88192802771757 0.45636099642278 0.40625891095373 15.999 > 16 63 O 0.38192802771757 0.45636099642278 0.90625891095373 15.999 > 16 64 O 0.88192802771757 0.45636099642278 0.90625891095373 15.999 > 16 *65 K 0.38016384348009 0.23025077334914 0.01376008767468 39.098 > 17 66 K 0.88016384348009 0.23025077334914 0.01376008767468 39.098 > 17 67 K 0.38016384348009 0.23025077334914 0.51376008767468 39.098 > 17 68 K 0.88016384348009 0.23025077334914 0.51376008767468 39.098 > 17 69 K 0.11983615651991 0.73025077334914 0.23623991232532 39.098 > 18 70 K 0.61983615651991 0.73025077334914 0.23623991232532 39.098 > 18 71 K 0.11983615651991 0.73025077334914 0.73623991232532 39.098 > 18 72 K 0.61983615651991 0.73025077334914 0.73623991232532 39.098 > 18 73 K 0.11983615651991 0.76974922665086 0.48623991232532 39.098 > 19 74 K 0.61983615651991 0.76974922665086 0.48623991232532 39.098 > 19 75 K 0.11983615651991 0.76974922665086 0.98623991232532 39.098 > 19 76 K 0.61983615651991 0.76974922665086 0.98623991232532 39.098 > 19 77 K 0.38016384348009 0.26974922665086 0.26376008767468 39.098 > 20 78 K 0.88016384348009 0.26974922665086 0.26376008767468 39.098 > 20 79 K 0.38016384348009 0.26974922665086 0.76376008767468 39.098 > 20 80 K 0.88016384348009 0.26974922665086 0.76376008767468 39.098 > 20 *81 K 0.13012497532378 0.41842588621850 0.40471670777652 39.098 > 21 82 K 0.63012497532378 0.41842588621850 0.40471670777652 39.098 > 21 83 K 0.13012497532378 0.41842588621850 0.90471670777652 39.098 > 21 84 K 0.63012497532378 0.41842588621850 0.90471670777652 39.098 > 21 85 K 0.36987502467622 0.91842588621850 0.34528329222348 39.098 > 22 86 K 0.86987502467622 0.91842588621850 0.34528329222348 39.098 > 22 87 K 0.36987502467622 0.91842588621850 0.84528329222348 39.098 > 22 88 K 0.86987502467622 0.91842588621850 0.84528329222348 39.098 > 22 89 K 0.36987502467622 0.58157411378150 0.09528329222348 39.098 > 23 90 K 0.86987502467622 0.58157411378150 0.09528329222348 39.098 > 23 91 K 0.36987502467622 0.58157411378150 0.59528329222348 39.098 > 23 92 K 0.86987502467622 0.58157411378150 0.59528329222348 39.098 > 23 93 K 0.13012497532378 0.08157411378150 0.15471670777652 39.098 > 24 94 K 0.63012497532378 0.08157411378150 0.15471670777652 39.098 > 24 95 K 0.13012497532378 0.08157411378150 0.65471670777652 39.098 > 24 96 K 0.63012497532378 0.08157411378150 0.65471670777652 39.098 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4643988 0.0000000 -0.1121869 0.0000000 2.4558468 0.0000000 -0.1121872 0.0000000 2.1432959 -------------------------- Born effective charges -------------------------- 1 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 2 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 3 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 4 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 5 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 6 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 7 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 8 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 9 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 10 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 11 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 12 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 13 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 14 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 15 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 16 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 17 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 18 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 19 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 20 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 21 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 22 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 23 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 24 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.673 Solver_block: 200 / 720 - Time: 0.592 Solver_block: 300 / 720 - Time: 0.592 Solver_block: 400 / 720 - Time: 0.583 Solver_block: 500 / 720 - Time: 0.594 Solver_block: 600 / 720 - Time: 0.586 Solver_block: 700 / 720 - Time: 0.596 Solver_block: 720 / 720 - Time: 0.206 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.528 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), 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 2026-01-07 19:57:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.670058100514853 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -1.014767106461736 0.000000000000000 6.998070865580751 Atomic positions (fractional): 1 C 0.24898287244388 0.41602873897164 0.24260179492559 12.011 2 C 0.24898287244388 0.08397126102836 0.74260179492559 12.011 3 C 0.75101712755612 0.58397126102836 0.75739820507441 12.011 4 C 0.75101712755612 0.91602873897164 0.25739820507441 12.011 5 O 0.43723546546575 0.15549936730878 0.72113460979956 15.999 6 O 0.56276453453425 0.65549936730878 0.77886539020044 15.999 7 O 0.56276453453425 0.84450063269122 0.27886539020044 15.999 8 O 0.43723546546575 0.34450063269122 0.22113460979956 15.999 9 O 0.07439603227705 0.13963668949467 0.81502932536486 15.999 10 O 0.07439603227705 0.36036331050533 0.31502932536486 15.999 11 O 0.92560396772295 0.86036331050533 0.18497067463514 15.999 12 O 0.92560396772295 0.63963668949467 0.68497067463514 15.999 13 O 0.76385605543514 0.04363900357722 0.31251782190746 15.999 14 O 0.23614394456486 0.54363900357722 0.18748217809254 15.999 15 O 0.23614394456486 0.95636099642278 0.68748217809254 15.999 16 O 0.76385605543514 0.45636099642278 0.81251782190746 15.999 17 K 0.76032768696019 0.23025077334914 0.02752017534936 39.098 18 K 0.23967231303981 0.73025077334914 0.47247982465064 39.098 19 K 0.23967231303981 0.76974922665086 0.97247982465064 39.098 20 K 0.76032768696019 0.26974922665086 0.52752017534936 39.098 21 K 0.26024995064756 0.41842588621850 0.80943341555305 39.098 22 K 0.73975004935244 0.91842588621850 0.69056658444695 39.098 23 K 0.73975004935244 0.58157411378150 0.19056658444695 39.098 24 K 0.26024995064756 0.08157411378150 0.30943341555305 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.340116201029707 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -2.029534212923472 0.000000000000000 13.996141731161503 Atomic positions (fractional): 1 C 0.12449143622194 0.41602873897164 0.12130089746280 12.011 > 1 2 C 0.62449143622194 0.41602873897164 0.12130089746280 12.011 > 1 3 C 0.12449143622194 0.41602873897164 0.62130089746280 12.011 > 1 4 C 0.62449143622194 0.41602873897164 0.62130089746280 12.011 > 1 5 C 0.12449143622194 0.08397126102836 0.37130089746280 12.011 > 5 6 C 0.62449143622194 0.08397126102836 0.37130089746280 12.011 > 5 7 C 0.12449143622194 0.08397126102836 0.87130089746280 12.011 > 5 8 C 0.62449143622194 0.08397126102836 0.87130089746280 12.011 > 5 9 C 0.37550856377806 0.58397126102836 0.37869910253720 12.011 > 9 10 C 0.87550856377806 0.58397126102836 0.37869910253720 12.011 > 9 11 C 0.37550856377806 0.58397126102836 0.87869910253720 12.011 > 9 12 C 0.87550856377806 0.58397126102836 0.87869910253720 12.011 > 9 13 C 0.37550856377806 0.91602873897164 0.12869910253720 12.011 > 13 14 C 0.87550856377806 0.91602873897164 0.12869910253720 12.011 > 13 15 C 0.37550856377806 0.91602873897164 0.62869910253720 12.011 > 13 16 C 0.87550856377806 0.91602873897164 0.62869910253720 12.011 > 13 17 O 0.21861773273287 0.15549936730878 0.36056730489978 15.999 > 17 18 O 0.71861773273287 0.15549936730878 0.36056730489978 15.999 > 17 19 O 0.21861773273287 0.15549936730878 0.86056730489978 15.999 > 17 20 O 0.71861773273287 0.15549936730878 0.86056730489978 15.999 > 17 21 O 0.28138226726713 0.65549936730878 0.38943269510022 15.999 > 21 22 O 0.78138226726713 0.65549936730878 0.38943269510022 15.999 > 21 23 O 0.28138226726713 0.65549936730878 0.88943269510022 15.999 > 21 24 O 0.78138226726713 0.65549936730878 0.88943269510022 15.999 > 21 25 O 0.28138226726713 0.84450063269122 0.13943269510022 15.999 > 25 26 O 0.78138226726713 0.84450063269122 0.13943269510022 15.999 > 25 27 O 0.28138226726713 0.84450063269122 0.63943269510022 15.999 > 25 28 O 0.78138226726713 0.84450063269122 0.63943269510022 15.999 > 25 29 O 0.21861773273287 0.34450063269122 0.11056730489978 15.999 > 29 30 O 0.71861773273287 0.34450063269122 0.11056730489978 15.999 > 29 31 O 0.21861773273287 0.34450063269122 0.61056730489978 15.999 > 29 32 O 0.71861773273287 0.34450063269122 0.61056730489978 15.999 > 29 33 O 0.03719801613853 0.13963668949467 0.40751466268243 15.999 > 33 34 O 0.53719801613853 0.13963668949467 0.40751466268243 15.999 > 33 35 O 0.03719801613853 0.13963668949467 0.90751466268243 15.999 > 33 36 O 0.53719801613853 0.13963668949467 0.90751466268243 15.999 > 33 37 O 0.03719801613853 0.36036331050533 0.15751466268243 15.999 > 37 38 O 0.53719801613853 0.36036331050533 0.15751466268243 15.999 > 37 39 O 0.03719801613853 0.36036331050533 0.65751466268243 15.999 > 37 40 O 0.53719801613853 0.36036331050533 0.65751466268243 15.999 > 37 41 O 0.46280198386147 0.86036331050533 0.09248533731757 15.999 > 41 42 O 0.96280198386147 0.86036331050533 0.09248533731757 15.999 > 41 43 O 0.46280198386147 0.86036331050533 0.59248533731757 15.999 > 41 44 O 0.96280198386147 0.86036331050533 0.59248533731757 15.999 > 41 45 O 0.46280198386147 0.63963668949467 0.34248533731757 15.999 > 45 46 O 0.96280198386147 0.63963668949467 0.34248533731757 15.999 > 45 47 O 0.46280198386147 0.63963668949467 0.84248533731757 15.999 > 45 48 O 0.96280198386147 0.63963668949467 0.84248533731757 15.999 > 45 49 O 0.38192802771757 0.04363900357722 0.15625891095373 15.999 > 49 50 O 0.88192802771757 0.04363900357722 0.15625891095373 15.999 > 49 51 O 0.38192802771757 0.04363900357722 0.65625891095373 15.999 > 49 52 O 0.88192802771757 0.04363900357722 0.65625891095373 15.999 > 49 53 O 0.11807197228243 0.54363900357722 0.09374108904627 15.999 > 53 54 O 0.61807197228243 0.54363900357722 0.09374108904627 15.999 > 53 55 O 0.11807197228243 0.54363900357722 0.59374108904627 15.999 > 53 56 O 0.61807197228243 0.54363900357722 0.59374108904627 15.999 > 53 57 O 0.11807197228243 0.95636099642278 0.34374108904627 15.999 > 57 58 O 0.61807197228243 0.95636099642278 0.34374108904627 15.999 > 57 59 O 0.11807197228243 0.95636099642278 0.84374108904627 15.999 > 57 60 O 0.61807197228243 0.95636099642278 0.84374108904627 15.999 > 57 61 O 0.38192802771757 0.45636099642278 0.40625891095373 15.999 > 61 62 O 0.88192802771757 0.45636099642278 0.40625891095373 15.999 > 61 63 O 0.38192802771757 0.45636099642278 0.90625891095373 15.999 > 61 64 O 0.88192802771757 0.45636099642278 0.90625891095373 15.999 > 61 65 K 0.38016384348009 0.23025077334914 0.01376008767468 39.098 > 65 66 K 0.88016384348009 0.23025077334914 0.01376008767468 39.098 > 65 67 K 0.38016384348009 0.23025077334914 0.51376008767468 39.098 > 65 68 K 0.88016384348009 0.23025077334914 0.51376008767468 39.098 > 65 69 K 0.11983615651991 0.73025077334914 0.23623991232532 39.098 > 69 70 K 0.61983615651991 0.73025077334914 0.23623991232532 39.098 > 69 71 K 0.11983615651991 0.73025077334914 0.73623991232532 39.098 > 69 72 K 0.61983615651991 0.73025077334914 0.73623991232532 39.098 > 69 73 K 0.11983615651991 0.76974922665086 0.48623991232532 39.098 > 73 74 K 0.61983615651991 0.76974922665086 0.48623991232532 39.098 > 73 75 K 0.11983615651991 0.76974922665086 0.98623991232532 39.098 > 73 76 K 0.61983615651991 0.76974922665086 0.98623991232532 39.098 > 73 77 K 0.38016384348009 0.26974922665086 0.26376008767468 39.098 > 77 78 K 0.88016384348009 0.26974922665086 0.26376008767468 39.098 > 77 79 K 0.38016384348009 0.26974922665086 0.76376008767468 39.098 > 77 80 K 0.88016384348009 0.26974922665086 0.76376008767468 39.098 > 77 81 K 0.13012497532378 0.41842588621850 0.40471670777652 39.098 > 81 82 K 0.63012497532378 0.41842588621850 0.40471670777652 39.098 > 81 83 K 0.13012497532378 0.41842588621850 0.90471670777652 39.098 > 81 84 K 0.63012497532378 0.41842588621850 0.90471670777652 39.098 > 81 85 K 0.36987502467622 0.91842588621850 0.34528329222348 39.098 > 85 86 K 0.86987502467622 0.91842588621850 0.34528329222348 39.098 > 85 87 K 0.36987502467622 0.91842588621850 0.84528329222348 39.098 > 85 88 K 0.86987502467622 0.91842588621850 0.84528329222348 39.098 > 85 89 K 0.36987502467622 0.58157411378150 0.09528329222348 39.098 > 89 90 K 0.86987502467622 0.58157411378150 0.09528329222348 39.098 > 89 91 K 0.36987502467622 0.58157411378150 0.59528329222348 39.098 > 89 92 K 0.86987502467622 0.58157411378150 0.59528329222348 39.098 > 89 93 K 0.13012497532378 0.08157411378150 0.15471670777652 39.098 > 93 94 K 0.63012497532378 0.08157411378150 0.15471670777652 39.098 > 93 95 K 0.13012497532378 0.08157411378150 0.65471670777652 39.098 > 93 96 K 0.63012497532378 0.08157411378150 0.65471670777652 39.098 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4643988 0.0000000 -0.1121869 0.0000000 2.4558468 0.0000000 -0.1121872 0.0000000 2.1432959 -------------------------- Born effective charges -------------------------- 1 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 2 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 3 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 4 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 5 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 6 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 7 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 8 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 9 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 10 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 11 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 12 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 13 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 14 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 15 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 16 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 17 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 18 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 19 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 20 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 21 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 22 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 23 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 24 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.670058100514853 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -1.014767106461736 0.000000000000000 6.998070865580751 Atomic positions (fractional): 1 C 0.24898287244388 0.41602873897164 0.24260179492559 12.011 2 C 0.24898287244388 0.08397126102836 0.74260179492559 12.011 3 C 0.75101712755612 0.58397126102836 0.75739820507441 12.011 4 C 0.75101712755612 0.91602873897164 0.25739820507441 12.011 5 O 0.43723546546575 0.15549936730878 0.72113460979956 15.999 6 O 0.56276453453425 0.65549936730878 0.77886539020044 15.999 7 O 0.56276453453425 0.84450063269122 0.27886539020044 15.999 8 O 0.43723546546575 0.34450063269122 0.22113460979956 15.999 9 O 0.07439603227705 0.13963668949467 0.81502932536486 15.999 10 O 0.07439603227705 0.36036331050533 0.31502932536486 15.999 11 O 0.92560396772295 0.86036331050533 0.18497067463514 15.999 12 O 0.92560396772295 0.63963668949467 0.68497067463514 15.999 13 O 0.76385605543514 0.04363900357722 0.31251782190746 15.999 14 O 0.23614394456486 0.54363900357722 0.18748217809254 15.999 15 O 0.23614394456486 0.95636099642278 0.68748217809254 15.999 16 O 0.76385605543514 0.45636099642278 0.81251782190746 15.999 17 K 0.76032768696019 0.23025077334914 0.02752017534936 39.098 18 K 0.23967231303981 0.73025077334914 0.47247982465064 39.098 19 K 0.23967231303981 0.76974922665086 0.97247982465064 39.098 20 K 0.76032768696019 0.26974922665086 0.52752017534936 39.098 21 K 0.26024995064756 0.41842588621850 0.80943341555305 39.098 22 K 0.73975004935244 0.91842588621850 0.69056658444695 39.098 23 K 0.73975004935244 0.58157411378150 0.19056658444695 39.098 24 K 0.26024995064756 0.08157411378150 0.30943341555305 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.340116201029707 0.000000000000000 0.000000000000000 b 0.000000000000000 9.748850950000000 0.000000000000000 c -2.029534212923472 0.000000000000000 13.996141731161503 Atomic positions (fractional): 1 C 0.12449143622194 0.41602873897164 0.12130089746280 12.011 > 1 2 C 0.62449143622194 0.41602873897164 0.12130089746280 12.011 > 1 3 C 0.12449143622194 0.41602873897164 0.62130089746280 12.011 > 1 4 C 0.62449143622194 0.41602873897164 0.62130089746280 12.011 > 1 5 C 0.12449143622194 0.08397126102836 0.37130089746280 12.011 > 5 6 C 0.62449143622194 0.08397126102836 0.37130089746280 12.011 > 5 7 C 0.12449143622194 0.08397126102836 0.87130089746280 12.011 > 5 8 C 0.62449143622194 0.08397126102836 0.87130089746280 12.011 > 5 9 C 0.37550856377806 0.58397126102836 0.37869910253720 12.011 > 9 10 C 0.87550856377806 0.58397126102836 0.37869910253720 12.011 > 9 11 C 0.37550856377806 0.58397126102836 0.87869910253720 12.011 > 9 12 C 0.87550856377806 0.58397126102836 0.87869910253720 12.011 > 9 13 C 0.37550856377806 0.91602873897164 0.12869910253720 12.011 > 13 14 C 0.87550856377806 0.91602873897164 0.12869910253720 12.011 > 13 15 C 0.37550856377806 0.91602873897164 0.62869910253720 12.011 > 13 16 C 0.87550856377806 0.91602873897164 0.62869910253720 12.011 > 13 17 O 0.21861773273287 0.15549936730878 0.36056730489978 15.999 > 17 18 O 0.71861773273287 0.15549936730878 0.36056730489978 15.999 > 17 19 O 0.21861773273287 0.15549936730878 0.86056730489978 15.999 > 17 20 O 0.71861773273287 0.15549936730878 0.86056730489978 15.999 > 17 21 O 0.28138226726713 0.65549936730878 0.38943269510022 15.999 > 21 22 O 0.78138226726713 0.65549936730878 0.38943269510022 15.999 > 21 23 O 0.28138226726713 0.65549936730878 0.88943269510022 15.999 > 21 24 O 0.78138226726713 0.65549936730878 0.88943269510022 15.999 > 21 25 O 0.28138226726713 0.84450063269122 0.13943269510022 15.999 > 25 26 O 0.78138226726713 0.84450063269122 0.13943269510022 15.999 > 25 27 O 0.28138226726713 0.84450063269122 0.63943269510022 15.999 > 25 28 O 0.78138226726713 0.84450063269122 0.63943269510022 15.999 > 25 29 O 0.21861773273287 0.34450063269122 0.11056730489978 15.999 > 29 30 O 0.71861773273287 0.34450063269122 0.11056730489978 15.999 > 29 31 O 0.21861773273287 0.34450063269122 0.61056730489978 15.999 > 29 32 O 0.71861773273287 0.34450063269122 0.61056730489978 15.999 > 29 33 O 0.03719801613853 0.13963668949467 0.40751466268243 15.999 > 33 34 O 0.53719801613853 0.13963668949467 0.40751466268243 15.999 > 33 35 O 0.03719801613853 0.13963668949467 0.90751466268243 15.999 > 33 36 O 0.53719801613853 0.13963668949467 0.90751466268243 15.999 > 33 37 O 0.03719801613853 0.36036331050533 0.15751466268243 15.999 > 37 38 O 0.53719801613853 0.36036331050533 0.15751466268243 15.999 > 37 39 O 0.03719801613853 0.36036331050533 0.65751466268243 15.999 > 37 40 O 0.53719801613853 0.36036331050533 0.65751466268243 15.999 > 37 41 O 0.46280198386147 0.86036331050533 0.09248533731757 15.999 > 41 42 O 0.96280198386147 0.86036331050533 0.09248533731757 15.999 > 41 43 O 0.46280198386147 0.86036331050533 0.59248533731757 15.999 > 41 44 O 0.96280198386147 0.86036331050533 0.59248533731757 15.999 > 41 45 O 0.46280198386147 0.63963668949467 0.34248533731757 15.999 > 45 46 O 0.96280198386147 0.63963668949467 0.34248533731757 15.999 > 45 47 O 0.46280198386147 0.63963668949467 0.84248533731757 15.999 > 45 48 O 0.96280198386147 0.63963668949467 0.84248533731757 15.999 > 45 49 O 0.38192802771757 0.04363900357722 0.15625891095373 15.999 > 49 50 O 0.88192802771757 0.04363900357722 0.15625891095373 15.999 > 49 51 O 0.38192802771757 0.04363900357722 0.65625891095373 15.999 > 49 52 O 0.88192802771757 0.04363900357722 0.65625891095373 15.999 > 49 53 O 0.11807197228243 0.54363900357722 0.09374108904627 15.999 > 53 54 O 0.61807197228243 0.54363900357722 0.09374108904627 15.999 > 53 55 O 0.11807197228243 0.54363900357722 0.59374108904627 15.999 > 53 56 O 0.61807197228243 0.54363900357722 0.59374108904627 15.999 > 53 57 O 0.11807197228243 0.95636099642278 0.34374108904627 15.999 > 57 58 O 0.61807197228243 0.95636099642278 0.34374108904627 15.999 > 57 59 O 0.11807197228243 0.95636099642278 0.84374108904627 15.999 > 57 60 O 0.61807197228243 0.95636099642278 0.84374108904627 15.999 > 57 61 O 0.38192802771757 0.45636099642278 0.40625891095373 15.999 > 61 62 O 0.88192802771757 0.45636099642278 0.40625891095373 15.999 > 61 63 O 0.38192802771757 0.45636099642278 0.90625891095373 15.999 > 61 64 O 0.88192802771757 0.45636099642278 0.90625891095373 15.999 > 61 65 K 0.38016384348009 0.23025077334914 0.01376008767468 39.098 > 65 66 K 0.88016384348009 0.23025077334914 0.01376008767468 39.098 > 65 67 K 0.38016384348009 0.23025077334914 0.51376008767468 39.098 > 65 68 K 0.88016384348009 0.23025077334914 0.51376008767468 39.098 > 65 69 K 0.11983615651991 0.73025077334914 0.23623991232532 39.098 > 69 70 K 0.61983615651991 0.73025077334914 0.23623991232532 39.098 > 69 71 K 0.11983615651991 0.73025077334914 0.73623991232532 39.098 > 69 72 K 0.61983615651991 0.73025077334914 0.73623991232532 39.098 > 69 73 K 0.11983615651991 0.76974922665086 0.48623991232532 39.098 > 73 74 K 0.61983615651991 0.76974922665086 0.48623991232532 39.098 > 73 75 K 0.11983615651991 0.76974922665086 0.98623991232532 39.098 > 73 76 K 0.61983615651991 0.76974922665086 0.98623991232532 39.098 > 73 77 K 0.38016384348009 0.26974922665086 0.26376008767468 39.098 > 77 78 K 0.88016384348009 0.26974922665086 0.26376008767468 39.098 > 77 79 K 0.38016384348009 0.26974922665086 0.76376008767468 39.098 > 77 80 K 0.88016384348009 0.26974922665086 0.76376008767468 39.098 > 77 81 K 0.13012497532378 0.41842588621850 0.40471670777652 39.098 > 81 82 K 0.63012497532378 0.41842588621850 0.40471670777652 39.098 > 81 83 K 0.13012497532378 0.41842588621850 0.90471670777652 39.098 > 81 84 K 0.63012497532378 0.41842588621850 0.90471670777652 39.098 > 81 85 K 0.36987502467622 0.91842588621850 0.34528329222348 39.098 > 85 86 K 0.86987502467622 0.91842588621850 0.34528329222348 39.098 > 85 87 K 0.36987502467622 0.91842588621850 0.84528329222348 39.098 > 85 88 K 0.86987502467622 0.91842588621850 0.84528329222348 39.098 > 85 89 K 0.36987502467622 0.58157411378150 0.09528329222348 39.098 > 89 90 K 0.86987502467622 0.58157411378150 0.09528329222348 39.098 > 89 91 K 0.36987502467622 0.58157411378150 0.59528329222348 39.098 > 89 92 K 0.86987502467622 0.58157411378150 0.59528329222348 39.098 > 89 93 K 0.13012497532378 0.08157411378150 0.15471670777652 39.098 > 93 94 K 0.63012497532378 0.08157411378150 0.15471670777652 39.098 > 93 95 K 0.13012497532378 0.08157411378150 0.65471670777652 39.098 > 93 96 K 0.63012497532378 0.08157411378150 0.65471670777652 39.098 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4643988 0.0000000 -0.1121869 0.0000000 2.4558468 0.0000000 -0.1121872 0.0000000 2.1432959 -------------------------- Born effective charges -------------------------- 1 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 2 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 3 C 2.7089203 -0.1876829 -0.8082864 -0.2011741 2.6867506 -0.7481581 -0.7748138 -0.6455399 0.4888902 4 C 2.7089203 0.1876829 -0.8082864 0.2011741 2.6867506 0.7481581 -0.7748138 0.6455399 0.4888902 5 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 6 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 7 O -2.0421219 -0.6024976 0.2077453 -0.6012295 -1.4586816 -0.0422187 0.2269075 0.0004821 -0.8593979 8 O -2.0421219 0.6024976 0.2077453 0.6012295 -1.4586816 0.0422187 0.2269075 -0.0004821 -0.8593979 9 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 10 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 11 O -2.0034018 0.4561601 0.5401282 0.4453797 -1.3233309 -0.3330179 0.4922664 -0.2701763 -1.0246249 12 O -2.0034018 -0.4561601 0.5401282 -0.4453797 -1.3233309 0.3330179 0.4922664 0.2701763 -1.0246249 13 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 14 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 15 O -1.1114631 -0.0117657 0.0940725 -0.0365328 -2.3194471 -0.4237101 0.0965642 -0.3438983 -0.9401770 16 O -1.1114631 0.0117657 0.0940725 0.0365328 -2.3194471 0.4237101 0.0965642 0.3438983 -0.9401770 17 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 18 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 19 K 1.2594950 -0.0376708 -0.0290904 -0.0381100 1.2455805 -0.0130869 -0.0579258 -0.0257754 1.2446232 20 K 1.2594950 0.0376708 -0.0290904 0.0381100 1.2455805 0.0130869 -0.0579258 0.0257754 1.2446232 21 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 22 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 23 K 1.1885714 0.0037054 -0.0045692 -0.0052939 1.1691284 0.0185103 0.0170014 0.0803283 1.0906864 24 K 1.1885714 -0.0037054 -0.0045692 0.0052939 1.1691284 -0.0185103 0.0170014 -0.0803283 1.0906864 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (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 ... [ 9 5 7 ] 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: 0.57, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 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 1.758 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 19.686 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 0.000) 0.000 19.768 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 25.069 ( 0.000 0.000 0.000) 0.000 25.076 ( 0.000 0.000 0.000) 0.000 25.121 ( 0.000 0.000 0.000) 0.000 25.133 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 31.497 ( 0.000 0.000 0.000) 0.000 31.508 ( 0.000 0.000 0.000) 0.000 31.525 ( 0.000 0.000 0.000) 0.000 41.489 ( 0.000 0.000 0.000) 0.000 41.661 ( 0.000 0.000 0.000) 0.000 41.936 ( 0.000 0.000 0.000) 0.000 41.976 ( 0.000 0.000 0.000) 0.000 42.108 ( 0.000 0.000 0.000) 0.000 42.294 ( 0.000 0.000 0.000) 0.000 42.554 ( 0.000 0.000 0.000) 0.000 44.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 19.020 0.000 6.488) 20.096 0.594 ( 30.127 0.000 -1.969) 30.191 1.059 ( 54.501 0.000 -11.833) 55.771 1.779 ( 1.477 0.000 2.129) 2.591 2.082 ( -9.505 0.000 -4.669) 10.589 2.269 ( 0.120 0.000 4.744) 4.745 2.382 ( 4.305 0.000 5.560) 7.032 2.488 ( -5.788 0.000 -1.113) 5.894 2.740 ( 8.382 0.000 1.737) 8.560 2.766 ( 4.891 0.000 -0.720) 4.944 2.833 ( 4.163 0.000 10.537) 11.330 2.955 ( 4.458 0.000 -3.245) 5.514 3.015 ( -1.848 0.000 0.337) 1.879 3.100 ( -1.854 0.000 11.527) 11.675 3.146 ( 5.806 0.000 -0.971) 5.887 3.360 ( 4.296 0.000 2.270) 4.859 3.427 ( -0.554 0.000 1.151) 1.277 3.463 ( 3.200 0.000 0.488) 3.237 3.607 ( 10.738 0.000 -1.656) 10.865 3.778 ( -0.249 0.000 1.245) 1.269 3.820 ( 0.176 0.000 -3.576) 3.581 3.871 ( -4.944 0.000 0.809) 5.009 3.882 ( -4.660 0.000 -5.275) 7.038 4.045 ( -3.220 0.000 -1.408) 3.515 4.082 ( 6.425 0.000 -0.458) 6.441 4.121 ( -4.661 0.000 -4.240) 6.301 4.198 ( -5.404 0.000 0.526) 5.429 4.257 ( 4.717 0.000 4.274) 6.365 4.338 ( -4.967 0.000 -2.174) 5.421 4.345 ( 0.590 0.000 -1.640) 1.743 4.467 ( -2.764 0.000 4.787) 5.527 4.679 ( 7.960 0.000 3.669) 8.765 4.752 ( -1.976 0.000 5.117) 5.485 4.789 ( 3.456 0.000 -1.987) 3.986 4.828 ( -4.919 0.000 -0.888) 4.999 4.999 ( 2.309 0.000 -5.264) 5.748 5.042 ( 1.795 0.000 2.239) 2.869 5.216 ( 7.262 0.000 -1.219) 7.363 5.288 ( -4.868 0.000 13.041) 13.920 5.378 ( -3.989 0.000 -0.614) 4.036 5.436 ( -4.986 0.000 -6.608) 8.278 5.512 ( -5.225 0.000 11.656) 12.774 5.616 ( -3.467 0.000 6.192) 7.097 5.781 ( 0.130 0.000 0.758) 0.769 5.819 ( -0.209 0.000 10.600) 10.602 5.863 ( 3.902 0.000 -12.262) 12.868 6.172 ( -3.458 0.000 1.283) 3.688 7.536 ( -6.046 0.000 -13.101) 14.429 19.687 ( -0.052 0.000 0.212) 0.218 19.699 ( 0.664 0.000 -0.593) 0.890 19.763 ( -0.396 0.000 -0.124) 0.415 19.768 ( -0.582 0.000 -0.038) 0.583 19.896 ( -0.221 0.000 0.370) 0.431 19.913 ( 0.467 0.000 -1.143) 1.235 19.946 ( 1.599 0.000 -0.011) 1.599 20.003 ( 1.596 0.000 -0.249) 1.616 25.077 ( 0.147 0.000 0.060) 0.159 25.086 ( -0.417 0.000 3.214) 3.241 25.121 ( 0.030 0.000 0.103) 0.107 25.131 ( -0.124 0.000 -0.224) 0.257 31.488 ( -0.067 0.000 -0.394) 0.400 31.495 ( -0.139 0.000 0.123) 0.185 31.508 ( -0.021 0.000 -0.023) 0.031 31.524 ( 0.004 0.000 -0.846) 0.846 41.488 ( -0.299 0.000 1.288) 1.322 41.654 ( -0.699 0.000 -1.257) 1.438 41.939 ( -0.059 0.000 0.003) 0.060 42.160 ( 5.668 0.000 -4.547) 7.267 42.317 ( 1.357 0.000 4.298) 4.507 42.558 ( 0.215 0.000 3.038) 3.045 44.007 ( -5.625 0.000 1.910) 5.940 44.369 ( 13.131 0.000 -89.395) 90.354 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 18.599 0.000 4.988) 19.256 1.156 ( 27.462 0.000 -2.953) 27.620 1.788 ( 1.080 0.000 5.413) 5.520 1.915 ( -5.851 0.000 -2.123) 6.224 2.052 ( 44.830 0.000 -13.017) 46.681 2.332 ( 5.771 0.000 2.869) 6.445 2.340 ( -7.441 0.000 -3.158) 8.084 2.505 ( 6.629 0.000 7.310) 9.868 2.845 ( 3.204 0.000 0.964) 3.346 2.865 ( 0.458 0.000 7.062) 7.077 2.929 ( 4.791 0.000 4.947) 6.887 3.038 ( 3.053 0.000 4.600) 5.521 3.078 ( 7.396 0.000 1.294) 7.509 3.145 ( 5.080 0.000 4.320) 6.669 3.291 ( 8.248 0.000 0.314) 8.254 3.349 ( -5.038 0.000 -1.017) 5.139 3.474 ( 5.756 0.000 0.033) 5.756 3.519 ( -0.328 0.000 -1.306) 1.346 3.689 ( -4.585 0.000 -1.384) 4.789 3.774 ( -1.074 0.000 0.487) 1.179 3.775 ( -4.978 0.000 -5.634) 7.519 3.844 ( 4.576 0.000 -1.242) 4.741 3.896 ( 3.416 0.000 -2.542) 4.258 3.978 ( -6.676 0.000 2.017) 6.974 4.042 ( 9.096 0.000 -6.424) 11.136 4.063 ( -5.135 0.000 0.910) 5.215 4.192 ( -0.196 0.000 -2.280) 2.288 4.232 ( -3.732 0.000 1.268) 3.941 4.345 ( 1.938 0.000 -0.374) 1.974 4.360 ( 2.065 0.000 -1.858) 2.778 4.482 ( 2.458 0.000 4.938) 5.516 4.708 ( -1.245 0.000 0.808) 1.484 4.727 ( -5.312 0.000 -0.389) 5.326 4.833 ( 2.879 0.000 4.743) 5.548 4.835 ( 2.041 0.000 -0.744) 2.172 5.039 ( 1.789 0.000 -4.551) 4.890 5.079 ( -3.608 0.000 3.339) 4.916 5.197 ( 2.274 0.000 -2.530) 3.402 5.246 ( -5.792 0.000 -5.944) 8.299 5.338 ( -0.836 0.000 -0.414) 0.933 5.342 ( -2.632 0.000 2.412) 3.570 5.479 ( 1.547 0.000 5.296) 5.518 5.562 ( -4.535 0.000 5.663) 7.256 5.765 ( -1.406 0.000 1.600) 2.131 5.853 ( -2.538 0.000 10.426) 10.730 5.877 ( 3.518 0.000 -10.767) 11.328 6.128 ( -0.251 0.000 0.165) 0.300 7.308 ( -15.139 0.000 -0.488) 15.147 19.685 ( -0.105 0.000 0.309) 0.326 19.713 ( 1.004 0.000 -0.914) 1.358 19.755 ( -0.622 0.000 -0.116) 0.633 19.759 ( 0.060 0.000 -0.142) 0.154 19.899 ( 0.349 0.000 0.441) 0.562 19.924 ( 0.972 0.000 -1.086) 1.457 19.981 ( 1.724 0.000 0.223) 1.738 20.033 ( 1.402 0.000 -0.260) 1.426 25.081 ( 0.223 0.000 0.099) 0.244 25.087 ( -0.122 0.000 1.358) 1.363 25.122 ( 0.045 0.000 0.154) 0.160 25.127 ( -0.181 0.000 -0.351) 0.395 31.487 ( 0.095 0.000 -0.568) 0.576 31.493 ( -0.118 0.000 0.210) 0.241 31.507 ( -0.052 0.000 -0.001) 0.052 31.520 ( -0.055 0.000 -1.316) 1.317 41.482 ( -0.806 0.000 2.142) 2.288 41.625 ( -1.551 0.000 -2.686) 3.102 41.919 ( -1.961 0.000 -1.103) 2.250 42.285 ( 8.033 0.000 -6.467) 10.312 42.343 ( -1.298 0.000 7.363) 7.476 42.594 ( 2.429 0.000 5.086) 5.636 43.910 ( -2.885 0.000 -0.935) 3.033 44.364 ( 4.812 0.000 -39.306) 39.599 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 17.025 0.000 2.818) 17.257 1.608 ( 17.078 0.000 -3.797) 17.495 1.771 ( -3.470 0.000 4.234) 5.474 1.859 ( 0.865 0.000 0.569) 1.036 2.221 ( -1.976 0.000 -2.209) 2.964 2.429 ( 6.392 0.000 1.255) 6.514 2.574 ( 5.273 0.000 5.097) 7.334 2.786 ( 12.781 0.000 -7.417) 14.777 2.869 ( -0.818 0.000 1.100) 1.371 2.999 ( -1.388 0.000 9.570) 9.670 3.005 ( 12.932 0.000 5.807) 14.176 3.106 ( 2.999 0.000 4.484) 5.394 3.216 ( 4.959 0.000 5.882) 7.694 3.277 ( 12.292 0.000 -8.759) 15.093 3.330 ( -7.535 0.000 -2.109) 7.825 3.360 ( 9.446 0.000 2.688) 9.821 3.493 ( 5.532 0.000 -3.341) 6.463 3.523 ( -0.747 0.000 -6.018) 6.064 3.682 ( -2.582 0.000 -2.994) 3.953 3.726 ( 3.894 0.000 1.806) 4.292 3.755 ( -1.675 0.000 -1.274) 2.104 3.795 ( -3.206 0.000 -5.757) 6.590 3.895 ( -1.450 0.000 2.253) 2.679 3.908 ( 0.448 0.000 -1.023) 1.117 4.047 ( 2.116 0.000 3.511) 4.099 4.124 ( -3.584 0.000 -0.390) 3.605 4.135 ( -1.824 0.000 -4.967) 5.292 4.277 ( -1.212 0.000 2.546) 2.820 4.403 ( 9.970 0.000 -1.930) 10.155 4.403 ( 3.433 0.000 -0.963) 3.565 4.518 ( -1.308 0.000 -0.265) 1.335 4.637 ( -3.767 0.000 1.232) 3.963 4.694 ( -0.608 0.000 0.358) 0.705 4.814 ( -5.262 0.000 2.734) 5.930 4.864 ( 0.020 0.000 -1.692) 1.692 4.931 ( -7.876 0.000 1.679) 8.053 4.989 ( -6.159 0.000 8.792) 10.734 5.099 ( -5.752 0.000 -0.260) 5.758 5.292 ( -3.458 0.000 -2.753) 4.419 5.321 ( 0.107 0.000 -6.825) 6.825 5.398 ( 5.485 0.000 -0.044) 5.485 5.504 ( 5.149 0.000 4.121) 6.595 5.539 ( 3.373 0.000 -1.447) 3.670 5.772 ( 3.438 0.000 -2.134) 4.047 5.799 ( -2.838 0.000 4.598) 5.403 5.961 ( 5.255 0.000 -1.013) 5.352 6.145 ( 1.232 0.000 -1.482) 1.927 6.949 ( -21.826 0.000 5.067) 22.406 19.686 ( 0.165 0.000 0.219) 0.274 19.729 ( 0.638 0.000 -0.674) 0.928 19.746 ( -0.051 0.000 -0.223) 0.228 19.763 ( 0.309 0.000 -0.047) 0.313 19.910 ( 0.567 0.000 0.369) 0.677 19.943 ( 1.249 0.000 -1.062) 1.640 20.008 ( 0.769 0.000 0.450) 0.891 20.053 ( 0.708 0.000 -0.208) 0.738 25.086 ( 0.194 0.000 0.099) 0.218 25.088 ( -0.027 0.000 0.641) 0.641 25.123 ( -0.151 0.000 -0.321) 0.355 25.124 ( 0.039 0.000 0.131) 0.137 31.489 ( 0.341 0.000 -0.421) 0.541 31.492 ( -0.013 0.000 0.214) 0.215 31.506 ( -0.069 0.000 0.023) 0.073 31.514 ( -0.181 0.000 -1.233) 1.246 41.471 ( -0.812 0.000 2.090) 2.243 41.588 ( -1.122 0.000 -3.062) 3.261 41.862 ( -3.086 0.000 -1.574) 3.464 42.289 ( -5.837 0.000 6.546) 8.770 42.414 ( 6.314 0.000 -4.979) 8.041 42.672 ( 3.648 0.000 4.152) 5.527 43.927 ( 4.578 0.000 1.462) 4.806 44.323 ( -0.403 0.000 -21.569) 21.573 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 13.585 0.000 0.269) 13.588 1.667 ( -8.384 0.000 2.304) 8.695 1.759 ( 2.374 0.000 0.062) 2.375 1.889 ( -0.163 0.000 -1.666) 1.674 2.329 ( 10.262 0.000 -0.441) 10.271 2.519 ( 2.045 0.000 0.009) 2.045 2.673 ( 5.129 0.000 4.897) 7.092 2.794 ( -6.829 0.000 -1.338) 6.959 2.816 ( -4.358 0.000 -4.344) 6.153 2.959 ( -2.464 0.000 6.922) 7.348 3.139 ( -1.202 0.000 -1.787) 2.154 3.151 ( 5.257 0.000 5.751) 7.791 3.272 ( 3.095 0.000 2.309) 3.862 3.298 ( 2.580 0.000 3.809) 4.601 3.396 ( -2.322 0.000 -8.915) 9.212 3.515 ( -3.045 0.000 -2.189) 3.750 3.519 ( -0.070 0.000 5.692) 5.692 3.611 ( 2.906 0.000 -6.392) 7.022 3.724 ( 0.815 0.000 -2.906) 3.018 3.729 ( 7.214 0.000 -2.598) 7.667 3.785 ( 6.008 0.000 -6.325) 8.724 3.795 ( 2.157 0.000 1.093) 2.418 3.912 ( 1.249 0.000 3.437) 3.657 3.956 ( 1.532 0.000 2.706) 3.109 4.071 ( 1.079 0.000 0.296) 1.119 4.087 ( 1.673 0.000 -2.279) 2.827 4.144 ( 1.494 0.000 -1.207) 1.921 4.229 ( 4.513 0.000 2.120) 4.986 4.458 ( -0.129 0.000 -3.106) 3.109 4.482 ( 0.923 0.000 -0.459) 1.031 4.556 ( -9.054 0.000 3.552) 9.726 4.573 ( -0.301 0.000 -0.958) 1.004 4.598 ( -3.286 0.000 -0.479) 3.321 4.697 ( -1.461 0.000 0.353) 1.503 4.745 ( -9.212 0.000 3.391) 9.816 4.852 ( -0.759 0.000 0.244) 0.797 4.983 ( 1.616 0.000 5.546) 5.776 5.033 ( -1.830 0.000 -0.103) 1.833 5.194 ( -3.698 0.000 -0.317) 3.711 5.281 ( -1.380 0.000 -4.535) 4.740 5.382 ( -1.179 0.000 1.152) 1.648 5.611 ( 3.553 0.000 -2.620) 4.415 5.667 ( 2.481 0.000 1.767) 3.046 5.768 ( -1.693 0.000 3.251) 3.665 6.018 ( 23.284 0.000 -8.680) 24.849 6.051 ( 3.281 0.000 0.166) 3.285 6.149 ( -0.372 0.000 -1.172) 1.230 6.497 ( -25.609 0.000 7.791) 26.768 19.691 ( 0.165 0.000 0.072) 0.180 19.733 ( 0.030 0.000 -0.115) 0.119 19.750 ( 0.262 0.000 -0.233) 0.351 19.768 ( 0.132 0.000 0.001) 0.132 19.919 ( 0.277 0.000 0.151) 0.316 19.963 ( 0.786 0.000 -0.583) 0.979 20.014 ( -0.071 0.000 0.356) 0.363 20.061 ( 0.175 0.000 -0.086) 0.195 25.089 ( 0.077 0.000 0.044) 0.089 25.089 ( -0.002 0.000 0.193) 0.193 25.120 ( -0.058 0.000 -0.132) 0.144 25.124 ( 0.015 0.000 0.051) 0.053 31.493 ( 0.024 0.000 0.096) 0.099 31.497 ( 0.413 0.000 0.038) 0.414 31.505 ( -0.040 0.000 0.011) 0.042 31.506 ( -0.320 0.000 -0.691) 0.761 41.465 ( -0.304 0.000 0.906) 0.956 41.569 ( -0.189 0.000 -1.457) 1.469 41.809 ( -1.468 0.000 -0.738) 1.643 42.197 ( -3.534 0.000 2.566) 4.368 42.491 ( 2.317 0.000 -1.735) 2.894 42.737 ( 1.683 0.000 1.441) 2.215 44.067 ( 7.442 0.000 6.322) 9.765 44.221 ( -5.017 0.000 -12.383) 13.361 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 17.583 0.000) 17.583 0.646 ( 0.000 31.102 0.000) 31.102 0.923 ( 0.000 36.192 0.000) 36.192 1.664 ( 0.000 -3.202 0.000) 3.202 2.190 ( 0.000 -3.906 0.000) 3.906 2.268 ( 0.000 -0.585 0.000) 0.585 2.361 ( 0.000 -3.625 0.000) 3.625 2.448 ( 0.000 -9.706 0.000) 9.706 2.503 ( 0.000 -0.010 0.000) 0.010 2.762 ( 0.000 2.920 0.000) 2.920 2.799 ( 0.000 7.045 0.000) 7.045 2.946 ( 0.000 3.974 0.000) 3.974 3.046 ( 0.000 -2.121 0.000) 2.121 3.120 ( 0.000 1.000 0.000) 1.000 3.235 ( 0.000 8.629 0.000) 8.629 3.318 ( 0.000 0.593 0.000) 0.593 3.338 ( 0.000 -1.203 0.000) 1.203 3.465 ( 0.000 3.126 0.000) 3.126 3.542 ( 0.000 0.038 0.000) 0.038 3.701 ( 0.000 -9.665 0.000) 9.665 3.811 ( 0.000 -12.300 0.000) 12.300 3.836 ( 0.000 1.320 0.000) 1.320 3.888 ( 0.000 -1.728 0.000) 1.728 4.039 ( 0.000 3.200 0.000) 3.200 4.052 ( 0.000 1.253 0.000) 1.253 4.101 ( 0.000 -0.504 0.000) 0.504 4.159 ( 0.000 -2.680 0.000) 2.680 4.323 ( 0.000 -3.012 0.000) 3.012 4.360 ( 0.000 -3.403 0.000) 3.403 4.465 ( 0.000 0.583 0.000) 0.583 4.471 ( 0.000 -5.085 0.000) 5.085 4.574 ( 0.000 12.062 0.000) 12.062 4.676 ( 0.000 -4.261 0.000) 4.261 4.839 ( 0.000 -2.890 0.000) 2.890 4.891 ( 0.000 3.195 0.000) 3.195 4.944 ( 0.000 -2.543 0.000) 2.543 5.009 ( 0.000 -1.239 0.000) 1.239 5.090 ( 0.000 -3.488 0.000) 3.488 5.320 ( 0.000 -1.852 0.000) 1.852 5.405 ( 0.000 -0.230 0.000) 0.230 5.463 ( 0.000 2.696 0.000) 2.696 5.597 ( 0.000 -0.388 0.000) 0.388 5.623 ( 0.000 -2.959 0.000) 2.959 5.736 ( 0.000 -2.779 0.000) 2.779 5.823 ( 0.000 1.011 0.000) 1.011 5.992 ( 0.000 2.798 0.000) 2.798 6.358 ( 0.000 17.031 0.000) 17.031 7.382 ( 0.000 -8.218 0.000) 8.218 19.700 ( 0.000 0.705 0.000) 0.705 19.709 ( 0.000 0.716 0.000) 0.716 19.762 ( 0.000 -0.524 0.000) 0.524 19.764 ( 0.000 -0.523 0.000) 0.523 19.897 ( 0.000 -0.283 0.000) 0.283 19.898 ( 0.000 -0.271 0.000) 0.271 19.935 ( 0.000 0.600 0.000) 0.600 19.979 ( 0.000 -0.459 0.000) 0.459 25.071 ( 0.000 0.115 0.000) 0.115 25.080 ( 0.000 -0.090 0.000) 0.090 25.122 ( 0.000 0.090 0.000) 0.090 25.131 ( 0.000 -0.128 0.000) 0.128 31.486 ( 0.000 -0.088 0.000) 0.088 31.504 ( 0.000 -0.371 0.000) 0.371 31.504 ( 0.000 0.534 0.000) 0.534 31.525 ( 0.000 -0.046 0.000) 0.046 41.694 ( 0.000 2.943 0.000) 2.943 41.911 ( 0.000 -2.222 0.000) 2.222 41.982 ( 0.000 0.346 0.000) 0.346 41.985 ( 0.000 0.018 0.000) 0.018 42.317 ( 0.000 2.198 0.000) 2.198 42.528 ( 0.000 -2.441 0.000) 2.441 44.080 ( 0.000 1.046 0.000) 1.046 44.182 ( 0.000 -1.216 0.000) 1.216 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 14.187 10.985 -0.730) 17.957 0.879 ( 19.711 19.358 -1.649) 27.676 1.355 ( 35.056 17.707 -5.027) 39.594 1.686 ( 3.677 1.173 -1.794) 4.256 2.104 ( -5.828 -0.870 -0.125) 5.894 2.273 ( 0.629 -0.397 3.585) 3.661 2.377 ( 0.002 0.490 1.745) 1.812 2.484 ( 2.772 -5.410 1.866) 6.358 2.558 ( 3.662 -7.362 -2.195) 8.510 2.784 ( 4.547 3.545 3.532) 6.761 2.886 ( 5.060 4.865 6.281) 9.419 2.939 ( 1.949 1.973 -0.203) 2.780 3.078 ( 1.714 -0.597 5.267) 5.571 3.168 ( 2.887 2.941 0.035) 4.122 3.228 ( 0.154 9.878 -0.330) 9.884 3.339 ( 4.516 -1.861 1.622) 5.147 3.427 ( 1.735 0.172 -0.105) 1.747 3.480 ( 2.065 -0.635 1.519) 2.641 3.570 ( 6.152 -1.392 -1.919) 6.593 3.686 ( -1.547 -9.936 -1.422) 10.156 3.796 ( 0.191 -3.700 1.268) 3.916 3.850 ( 0.082 1.289 -0.284) 1.323 3.908 ( -7.902 1.204 -2.812) 8.473 3.959 ( 4.833 -6.446 -1.052) 8.125 3.994 ( -3.526 -4.055 -5.094) 7.405 4.091 ( -2.696 -1.021 -1.924) 3.466 4.212 ( 4.452 0.068 1.809) 4.806 4.227 ( -5.108 -2.033 -3.232) 6.377 4.336 ( -2.403 2.275 2.665) 4.249 4.503 ( -1.140 1.469 1.240) 2.235 4.528 ( 2.705 2.179 0.925) 3.594 4.603 ( 2.245 0.939 2.804) 3.712 4.665 ( -1.315 -5.865 0.120) 6.012 4.804 ( 1.561 0.173 -2.373) 2.846 4.921 ( 0.896 -3.302 -0.157) 3.425 4.988 ( -3.637 0.680 -1.238) 3.902 5.058 ( 3.386 1.752 -0.144) 3.815 5.091 ( 3.997 -3.437 -1.322) 5.435 5.257 ( -0.958 -1.618 1.632) 2.490 5.380 ( -1.883 1.012 -0.997) 2.358 5.468 ( 0.021 2.983 -1.561) 3.367 5.537 ( -7.991 1.262 13.848) 16.038 5.610 ( -1.191 -1.144 3.204) 3.605 5.716 ( -1.832 -3.129 1.960) 4.121 5.825 ( 1.560 0.881 -6.559) 6.799 6.034 ( 3.621 2.380 -0.189) 4.338 6.282 ( -7.701 15.994 1.876) 17.851 7.359 ( -4.267 -12.577 -3.540) 13.745 19.682 ( -0.784 0.192 0.015) 0.808 19.704 ( -0.129 0.583 -0.095) 0.605 19.756 ( -0.685 -0.671 0.006) 0.958 19.765 ( -0.079 -0.533 -0.462) 0.710 19.894 ( 0.092 -0.109 0.078) 0.162 19.909 ( 0.898 -0.473 -0.309) 1.062 19.954 ( 1.516 0.941 -0.048) 1.785 20.007 ( 2.071 -0.071 -0.249) 2.087 25.075 ( 0.225 -0.061 0.500) 0.552 25.082 ( 0.040 -0.159 1.067) 1.079 25.122 ( 0.019 0.070 0.030) 0.079 25.130 ( -0.110 -0.109 -0.177) 0.235 31.485 ( -0.050 -0.067 -0.121) 0.147 31.501 ( -0.161 0.084 -0.173) 0.251 31.506 ( 0.048 0.093 0.042) 0.113 31.524 ( 0.013 -0.036 -0.817) 0.818 41.534 ( -8.778 3.808 -0.361) 9.575 41.798 ( -4.633 2.235 1.899) 5.483 41.977 ( 2.255 5.369 -0.029) 5.824 42.161 ( 7.170 -0.197 -3.478) 7.972 42.349 ( 1.582 2.715 4.839) 5.770 42.537 ( 0.611 -1.963 3.241) 3.838 44.018 ( -5.335 1.100 -0.233) 5.452 44.227 ( 9.208 -7.754 -45.404) 46.972 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 17.596 5.450 1.184) 18.459 1.307 ( 23.074 9.062 -2.815) 24.949 1.649 ( 1.183 -6.122 1.616) 6.442 1.976 ( 1.494 4.063 1.156) 4.481 2.171 ( 23.246 5.305 -5.905) 24.564 2.299 ( -1.937 1.557 -2.832) 3.767 2.409 ( 11.593 3.256 1.600) 12.147 2.520 ( 2.474 1.215 1.988) 3.398 2.695 ( 9.358 -6.782 2.812) 11.895 2.868 ( 1.891 -1.017 10.649) 10.864 3.017 ( 4.754 5.699 2.673) 7.888 3.029 ( 5.504 -0.658 2.717) 6.173 3.091 ( -0.335 3.606 0.387) 3.642 3.225 ( 4.369 4.818 4.602) 7.968 3.325 ( 6.891 3.101 -0.522) 7.575 3.352 ( -2.284 0.687 -2.459) 3.426 3.474 ( 4.762 -0.344 -1.326) 4.955 3.511 ( -0.391 -3.454 1.990) 4.006 3.645 ( -5.302 -4.603 -4.586) 8.386 3.678 ( 0.181 -2.183 0.901) 2.368 3.752 ( 0.486 -1.936 -2.941) 3.554 3.814 ( 0.497 -2.702 -0.378) 2.773 3.893 ( -3.504 -1.856 -6.179) 7.342 3.944 ( 4.317 -5.765 -2.858) 7.748 3.969 ( 0.660 -0.253 3.008) 3.089 4.125 ( 1.120 -1.575 0.733) 2.067 4.130 ( -1.230 -2.243 -1.414) 2.923 4.273 ( 3.059 -1.898 -1.018) 3.741 4.299 ( -2.260 1.092 1.350) 2.850 4.445 ( -2.780 7.102 -0.206) 7.629 4.562 ( -0.089 3.406 1.898) 3.900 4.637 ( -0.154 -9.254 -0.240) 9.259 4.664 ( 2.448 -4.972 2.390) 6.036 4.809 ( -1.347 -1.578 -5.420) 5.803 4.854 ( -6.631 4.144 -2.159) 8.112 4.952 ( 0.297 -1.681 0.193) 1.718 5.115 ( 3.899 -0.103 1.747) 4.274 5.160 ( 3.526 2.407 -1.898) 4.672 5.328 ( 1.490 -2.975 -3.712) 4.984 5.337 ( -2.905 2.877 2.934) 5.032 5.419 ( -1.639 -3.479 8.349) 9.192 5.436 ( -3.135 7.584 -2.546) 8.592 5.574 ( -3.840 0.905 5.347) 6.645 5.706 ( 0.764 -2.767 1.514) 3.245 5.862 ( 4.044 0.067 -4.555) 6.092 6.089 ( -9.626 4.829 2.442) 11.043 6.112 ( 1.784 10.002 0.308) 10.165 7.178 ( -13.581 -11.599 1.943) 17.966 19.679 ( 0.273 -0.650 0.038) 0.706 19.702 ( 0.032 -0.245 -0.199) 0.317 19.744 ( -0.551 -0.730 0.064) 0.917 19.762 ( 0.044 -0.298 -0.507) 0.590 19.903 ( 0.671 0.217 -0.075) 0.710 19.927 ( 0.983 -0.236 -0.730) 1.247 19.986 ( 1.591 1.111 0.271) 1.960 20.045 ( 1.698 0.553 -0.226) 1.800 25.081 ( 0.228 -0.020 0.252) 0.340 25.086 ( 0.015 -0.094 0.906) 0.911 25.123 ( 0.029 0.023 0.074) 0.083 25.127 ( -0.160 -0.059 -0.287) 0.334 31.485 ( 0.077 -0.019 -0.154) 0.173 31.497 ( -0.127 0.119 -0.238) 0.294 31.507 ( 0.005 0.101 0.003) 0.101 31.521 ( -0.017 0.010 -1.245) 1.245 41.427 ( -2.916 -0.296 -0.645) 3.001 41.707 ( -5.243 -0.476 -0.302) 5.273 41.995 ( -0.678 8.765 0.525) 8.807 42.285 ( 6.038 0.111 -4.987) 7.832 42.389 ( 0.942 3.678 6.237) 7.302 42.580 ( 2.735 -1.321 5.120) 5.953 43.923 ( -2.556 1.364 -2.541) 3.853 44.261 ( 5.312 -8.400 -31.191) 32.736 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 16.656 3.409 1.099) 17.036 1.639 ( 3.020 -8.780 0.370) 9.293 1.737 ( 13.919 11.314 -3.603) 18.296 1.965 ( -0.892 6.344 3.535) 7.316 2.206 ( -0.992 -0.458 -0.695) 1.295 2.424 ( 6.554 -1.652 4.043) 7.876 2.570 ( 1.606 -1.368 2.753) 3.469 2.662 ( 4.766 -5.986 -4.332) 8.793 2.943 ( 2.225 -2.727 9.219) 9.868 3.015 ( 0.087 5.721 -3.586) 6.753 3.046 ( 2.904 -1.786 7.160) 7.930 3.089 ( 12.198 5.356 1.193) 13.375 3.184 ( 5.633 -1.128 3.547) 6.752 3.326 ( 7.636 3.021 -6.416) 10.421 3.360 ( 6.483 0.588 3.914) 7.596 3.404 ( -5.262 5.067 -2.846) 7.840 3.496 ( 1.896 -2.768 -2.870) 4.415 3.507 ( 2.357 -0.768 -4.674) 5.290 3.571 ( 2.465 -3.003 -0.100) 3.886 3.729 ( -0.805 -1.010 -0.581) 1.416 3.744 ( -0.296 -0.597 -3.819) 3.877 3.783 ( -1.558 -2.193 -3.828) 4.679 3.823 ( 1.772 -2.111 0.041) 2.757 3.971 ( 3.509 -2.818 -0.296) 4.510 4.015 ( -2.957 4.203 2.934) 5.918 4.085 ( -1.462 -7.822 2.871) 8.459 4.147 ( -1.856 0.895 -0.620) 2.152 4.248 ( -1.744 -3.685 -0.505) 4.108 4.369 ( 4.281 -3.008 -1.607) 5.474 4.472 ( 6.760 6.097 -0.783) 9.137 4.551 ( -1.155 0.703 1.476) 2.002 4.632 ( -1.471 -4.755 -3.760) 6.238 4.680 ( -2.456 1.313 1.011) 2.963 4.724 ( -1.879 1.517 -1.941) 3.098 4.821 ( 1.211 -2.319 0.356) 2.640 4.927 ( -2.594 -1.597 3.366) 4.539 5.052 ( -8.681 3.589 5.006) 10.644 5.203 ( -4.440 4.233 2.846) 6.763 5.279 ( -3.607 -1.648 -4.928) 6.325 5.312 ( 0.192 -0.765 -3.769) 3.851 5.433 ( 5.510 3.215 0.246) 6.384 5.501 ( 1.306 1.790 0.082) 2.217 5.543 ( 6.088 0.486 1.908) 6.398 5.751 ( 3.487 -1.421 -0.802) 3.850 5.886 ( -9.152 6.068 4.885) 12.019 5.949 ( 5.235 -0.734 -2.915) 6.036 6.166 ( 2.196 2.908 -1.348) 3.886 6.854 ( -20.138 -8.873 6.180) 22.857 19.688 ( 0.546 -0.119 0.196) 0.593 19.707 ( 0.559 -1.323 -0.333) 1.474 19.735 ( -0.376 -0.632 0.034) 0.736 19.765 ( 0.335 -0.280 -0.347) 0.558 19.916 ( 0.602 0.308 -0.079) 0.681 19.941 ( 0.715 -0.436 -0.792) 1.152 20.014 ( 1.109 1.253 0.340) 1.707 20.070 ( 0.863 0.928 -0.109) 1.272 25.086 ( 0.183 -0.011 0.179) 0.256 25.088 ( 0.022 -0.028 0.480) 0.481 25.123 ( -0.120 -0.005 -0.265) 0.291 25.123 ( 0.017 -0.021 0.078) 0.083 31.487 ( 0.223 -0.032 -0.033) 0.228 31.495 ( -0.029 0.042 -0.209) 0.215 31.507 ( 0.008 0.179 -0.079) 0.195 31.516 ( -0.086 0.130 -1.082) 1.093 41.396 ( -0.265 -2.955 -0.349) 2.987 41.595 ( -5.653 -2.998 -1.243) 6.519 41.967 ( -1.804 9.399 0.149) 9.572 42.293 ( -4.185 0.143 2.869) 5.076 42.463 ( 5.167 4.164 -1.479) 6.799 42.664 ( 3.899 -0.886 4.010) 5.662 43.936 ( 4.225 1.109 -0.116) 4.369 44.252 ( 0.801 -6.314 -18.804) 19.852 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 12.226 1.709 0.014) 12.345 1.629 ( -3.884 -2.437 1.054) 4.705 1.855 ( 0.279 7.474 -0.081) 7.480 1.953 ( -1.172 5.557 -0.773) 5.732 2.356 ( 13.343 2.674 -0.957) 13.642 2.538 ( 3.821 -1.268 2.562) 4.772 2.580 ( -1.448 -3.295 1.624) 3.949 2.676 ( -0.926 -7.798 0.358) 7.861 2.799 ( -10.961 -0.509 -1.185) 11.037 3.071 ( 1.357 0.500 3.612) 3.891 3.109 ( 4.378 -6.943 2.909) 8.708 3.200 ( 1.605 4.934 0.533) 5.216 3.231 ( -0.769 6.987 1.858) 7.270 3.340 ( -0.637 -3.406 -0.572) 3.512 3.380 ( -1.237 -0.512 -2.957) 3.246 3.446 ( 1.308 -2.866 1.229) 3.382 3.531 ( 0.557 0.697 0.124) 0.901 3.608 ( 0.506 -0.866 -5.951) 6.035 3.663 ( -1.736 -3.958 -4.642) 6.343 3.685 ( 6.069 -3.777 -1.718) 7.352 3.712 ( 1.721 -1.703 -0.923) 2.591 3.823 ( 1.902 -0.848 0.201) 2.092 3.917 ( 3.207 -0.377 1.412) 3.525 3.951 ( -1.512 0.921 2.734) 3.257 4.065 ( 2.516 -0.679 2.406) 3.547 4.100 ( 2.005 -0.194 3.416) 3.966 4.141 ( 8.099 -0.795 -6.774) 10.589 4.221 ( -1.148 1.189 0.929) 1.896 4.391 ( -3.233 -4.389 -1.243) 5.591 4.520 ( -1.764 1.704 -1.558) 2.906 4.564 ( -3.246 0.044 -2.073) 3.852 4.598 ( 3.974 -0.295 -1.553) 4.277 4.622 ( -1.564 2.593 4.588) 5.497 4.738 ( 2.423 5.439 -1.289) 6.092 4.793 ( -2.382 -1.875 1.967) 3.613 4.899 ( -6.989 6.988 -0.392) 9.891 4.947 ( 1.924 -1.888 6.203) 6.763 5.066 ( -7.294 3.380 -1.350) 8.152 5.198 ( -1.983 0.089 -0.438) 2.033 5.288 ( -1.072 0.933 -2.136) 2.566 5.462 ( -0.306 6.413 1.603) 6.617 5.576 ( 3.677 -1.161 -1.296) 4.068 5.703 ( 3.277 0.987 1.802) 3.868 5.776 ( -2.920 1.167 2.092) 3.776 5.897 ( 12.330 -7.600 -6.572) 15.905 6.042 ( 5.049 -2.758 -0.974) 5.835 6.199 ( 3.059 3.278 -2.220) 5.003 6.450 ( -21.774 -4.235 7.891) 23.544 19.698 ( 0.366 0.533 0.130) 0.660 19.718 ( 0.526 -1.381 -0.221) 1.494 19.728 ( -0.387 -1.115 0.054) 1.181 19.770 ( 0.181 -0.290 -0.127) 0.365 19.924 ( 0.248 0.253 0.007) 0.355 19.949 ( 0.240 -0.988 -0.387) 1.088 20.030 ( 0.414 1.577 0.153) 1.638 20.079 ( 0.172 1.123 -0.019) 1.136 25.089 ( 0.076 -0.014 0.095) 0.122 25.089 ( 0.004 -0.007 0.120) 0.121 25.120 ( -0.048 0.037 -0.109) 0.125 25.124 ( 0.011 -0.048 0.034) 0.060 31.492 ( 0.145 -0.085 0.114) 0.203 31.495 ( 0.009 -0.148 -0.121) 0.191 31.507 ( 0.033 0.281 -0.143) 0.316 31.512 ( -0.101 0.316 -0.394) 0.515 41.412 ( 1.777 -3.675 0.186) 4.087 41.493 ( -4.003 -5.067 -0.935) 6.525 41.941 ( -0.710 9.392 -0.058) 9.419 42.215 ( -3.034 1.139 1.637) 3.631 42.536 ( 2.165 3.971 -0.964) 4.624 42.732 ( 1.780 -0.621 1.373) 2.332 44.056 ( 6.332 -0.737 4.810) 7.986 44.182 ( -3.662 -3.519 -10.733) 11.874 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 18.324 0.000) 18.324 1.072 ( 0.000 -13.663 0.000) 13.663 1.268 ( 0.000 29.293 0.000) 29.293 1.835 ( 0.000 -24.979 0.000) 24.979 2.025 ( 0.000 24.713 0.000) 24.713 2.238 ( 0.000 -2.888 0.000) 2.888 2.347 ( 0.000 10.268 0.000) 10.268 2.470 ( 0.000 3.834 0.000) 3.834 2.489 ( 0.000 -1.594 0.000) 1.594 2.831 ( 0.000 -19.481 0.000) 19.481 2.838 ( 0.000 1.989 0.000) 1.989 2.888 ( 0.000 0.179 0.000) 0.179 3.094 ( 0.000 10.372 0.000) 10.372 3.145 ( 0.000 2.802 0.000) 2.802 3.225 ( 0.000 -4.365 0.000) 4.365 3.300 ( 0.000 -6.061 0.000) 6.061 3.411 ( 0.000 3.695 0.000) 3.695 3.457 ( 0.000 -3.496 0.000) 3.496 3.553 ( 0.000 0.792 0.000) 0.792 3.579 ( 0.000 -1.120 0.000) 1.120 3.660 ( 0.000 1.226 0.000) 1.226 3.769 ( 0.000 -5.837 0.000) 5.837 3.988 ( 0.000 9.350 0.000) 9.350 4.088 ( 0.000 1.146 0.000) 1.146 4.110 ( 0.000 2.607 0.000) 2.607 4.114 ( 0.000 0.164 0.000) 0.164 4.115 ( 0.000 2.245 0.000) 2.245 4.229 ( 0.000 -4.785 0.000) 4.785 4.240 ( 0.000 -9.036 0.000) 9.036 4.261 ( 0.000 -10.936 0.000) 10.936 4.512 ( 0.000 3.201 0.000) 3.201 4.579 ( 0.000 -3.524 0.000) 3.524 4.786 ( 0.000 6.592 0.000) 6.592 4.853 ( 0.000 3.775 0.000) 3.775 4.867 ( 0.000 -3.171 0.000) 3.171 4.942 ( 0.000 -2.489 0.000) 2.489 4.989 ( 0.000 1.216 0.000) 1.216 5.017 ( 0.000 -1.649 0.000) 1.649 5.383 ( 0.000 2.917 0.000) 2.917 5.402 ( 0.000 -0.030 0.000) 0.030 5.520 ( 0.000 2.511 0.000) 2.511 5.566 ( 0.000 -2.191 0.000) 2.191 5.592 ( 0.000 0.972 0.000) 0.972 5.659 ( 0.000 -4.385 0.000) 4.385 5.867 ( 0.000 3.403 0.000) 3.403 5.951 ( 0.000 -4.208 0.000) 4.208 6.769 ( 0.000 20.140 0.000) 20.140 7.138 ( 0.000 -15.303 0.000) 15.303 19.721 ( 0.000 1.242 0.000) 1.242 19.728 ( 0.000 1.003 0.000) 1.003 19.746 ( 0.000 -1.155 0.000) 1.155 19.747 ( 0.000 -0.884 0.000) 0.884 19.892 ( 0.000 -0.094 0.000) 0.094 19.893 ( 0.000 -0.183 0.000) 0.183 19.950 ( 0.000 0.798 0.000) 0.798 19.966 ( 0.000 -0.751 0.000) 0.751 25.074 ( 0.000 0.175 0.000) 0.175 25.077 ( 0.000 -0.159 0.000) 0.159 25.124 ( 0.000 0.165 0.000) 0.165 25.128 ( 0.000 -0.189 0.000) 0.189 31.488 ( 0.000 0.244 0.000) 0.244 31.495 ( 0.000 -0.445 0.000) 0.445 31.515 ( 0.000 0.451 0.000) 0.451 31.522 ( 0.000 -0.231 0.000) 0.231 41.770 ( 0.000 4.126 0.000) 4.126 41.851 ( 0.000 -3.558 0.000) 3.558 41.986 ( 0.000 0.074 0.000) 0.074 41.986 ( 0.000 0.031 0.000) 0.031 42.380 ( 0.000 3.741 0.000) 3.741 42.461 ( 0.000 -3.894 0.000) 3.894 44.110 ( 0.000 1.782 0.000) 1.782 44.149 ( 0.000 -1.887 0.000) 1.887 ======================= Grid point 19 (12/96) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 7.542 15.360 -2.243) 17.259 1.074 ( 4.784 -8.177 -2.543) 9.809 1.495 ( 15.672 15.529 1.233) 22.097 1.894 ( 4.609 -18.672 2.606) 19.408 2.125 ( 9.047 21.653 -6.878) 24.454 2.265 ( 1.256 0.236 -1.195) 1.749 2.378 ( 7.344 0.612 4.256) 8.511 2.415 ( -2.440 0.566 -3.082) 3.972 2.557 ( 4.231 7.032 1.584) 8.359 2.847 ( 0.871 -3.265 2.470) 4.186 2.917 ( 6.757 -2.303 1.780) 7.358 2.983 ( 7.359 -6.872 7.695) 12.672 3.082 ( 0.218 10.007 0.600) 10.027 3.204 ( 4.845 2.720 -0.120) 5.558 3.279 ( 3.790 -3.954 -0.433) 5.494 3.312 ( 0.768 -9.935 2.855) 10.366 3.409 ( -0.130 5.467 0.235) 5.473 3.478 ( 3.302 -0.129 -0.760) 3.391 3.557 ( 1.042 0.155 -0.695) 1.262 3.589 ( 0.898 -1.098 0.099) 1.422 3.680 ( 0.483 -0.526 0.692) 0.994 3.798 ( -0.733 -7.281 0.894) 7.372 3.916 ( -4.902 0.447 -5.195) 7.157 3.924 ( -7.692 -0.867 -3.797) 8.622 3.983 ( -1.369 6.256 -1.670) 6.618 4.107 ( -2.652 0.315 -0.577) 2.732 4.149 ( -3.177 -2.270 -2.130) 4.448 4.246 ( 1.274 -2.256 -0.540) 2.647 4.323 ( 4.733 -6.983 0.616) 8.458 4.347 ( 2.724 -1.998 0.693) 3.448 4.529 ( 2.463 0.723 1.761) 3.113 4.565 ( -0.763 -2.414 3.236) 4.108 4.752 ( -4.463 5.957 -2.001) 7.708 4.811 ( 0.377 -0.166 -2.272) 2.309 4.905 ( 1.620 0.946 1.968) 2.719 4.952 ( -1.300 -2.734 1.010) 3.191 5.053 ( 6.793 -0.151 -0.285) 6.801 5.061 ( 4.610 -0.855 -3.782) 6.024 5.310 ( -5.300 3.880 2.234) 6.938 5.379 ( -2.147 -2.085 -3.252) 4.419 5.529 ( 0.005 2.675 -0.912) 2.826 5.540 ( -3.008 1.021 3.934) 5.056 5.595 ( 0.494 -0.425 3.978) 4.031 5.640 ( -2.188 -4.079 3.066) 5.552 5.884 ( 1.801 4.433 -3.797) 6.109 5.983 ( 2.652 -4.619 -1.425) 5.514 6.686 ( -8.284 20.113 2.572) 21.903 7.064 ( -7.388 -16.410 1.786) 18.084 19.697 ( -1.639 1.154 0.026) 2.004 19.716 ( -1.062 0.051 -0.164) 1.076 19.739 ( -0.396 -0.474 0.008) 0.617 19.749 ( 0.024 -0.870 -0.284) 0.915 19.894 ( 0.435 0.133 -0.016) 0.455 19.899 ( 0.687 -0.382 -0.010) 0.786 19.977 ( 2.181 1.150 -0.154) 2.471 19.997 ( 2.492 -0.808 -0.208) 2.627 25.076 ( 0.185 0.117 0.338) 0.402 25.079 ( 0.135 -0.151 0.367) 0.419 25.124 ( -0.020 0.136 -0.038) 0.143 25.127 ( -0.069 -0.160 -0.110) 0.206 31.487 ( -0.028 0.259 -0.003) 0.260 31.495 ( -0.035 -0.428 -0.017) 0.429 31.514 ( -0.013 0.432 -0.363) 0.565 31.521 ( 0.007 -0.227 -0.640) 0.679 41.634 ( -8.807 5.558 -0.177) 10.416 41.746 ( -6.710 -4.898 0.624) 8.331 42.083 ( 7.362 3.934 -1.512) 8.483 42.141 ( 8.967 -1.844 -2.399) 9.464 42.413 ( 2.062 3.412 4.797) 6.237 42.483 ( 1.486 -3.180 3.953) 5.286 44.052 ( -4.056 2.239 -5.495) 7.187 44.113 ( -0.093 -3.878 -16.369) 16.823 ======================= Grid point 20 (13/96) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 13.864 10.630 -2.059) 17.591 1.239 ( 11.413 -11.482 -3.024) 16.469 1.778 ( 12.843 13.490 1.482) 18.685 1.997 ( 4.744 -4.940 1.923) 7.114 2.206 ( 2.670 1.584 1.437) 3.421 2.275 ( -2.401 -4.800 0.336) 5.377 2.457 ( 6.140 3.638 -3.879) 8.122 2.545 ( 2.732 -3.884 -0.299) 4.758 2.757 ( 18.683 13.093 2.015) 22.903 2.883 ( 1.417 1.034 6.510) 6.742 3.053 ( 6.723 3.212 1.952) 7.702 3.141 ( 4.625 6.057 3.235) 8.279 3.153 ( 5.132 -0.959 3.820) 6.469 3.263 ( 0.285 -1.928 -1.220) 2.300 3.304 ( 2.391 -4.711 -1.016) 5.380 3.364 ( 0.011 -3.728 0.881) 3.831 3.432 ( 3.335 6.645 -0.470) 7.450 3.534 ( 3.066 5.052 -3.123) 6.684 3.613 ( 1.900 -4.124 -0.693) 4.593 3.641 ( -6.779 -1.973 -1.151) 7.153 3.663 ( 9.100 -5.915 -1.958) 11.029 3.709 ( 2.532 -7.688 0.590) 8.116 3.855 ( -3.028 2.176 2.435) 4.453 3.878 ( -0.792 1.825 -2.067) 2.869 3.977 ( -1.867 -0.646 -1.798) 2.671 4.031 ( -1.509 -3.414 -0.427) 3.756 4.103 ( -0.804 -1.462 -1.280) 2.103 4.171 ( -5.290 -7.442 -3.280) 9.702 4.356 ( 1.073 3.790 -1.130) 4.097 4.426 ( 3.032 -3.548 0.765) 4.730 4.591 ( 2.515 0.209 4.134) 4.843 4.596 ( 2.160 -1.489 1.548) 3.047 4.674 ( -1.422 8.429 -2.785) 8.990 4.803 ( -0.483 -1.890 -5.546) 5.880 4.883 ( -4.590 -0.106 -0.777) 4.657 4.913 ( -1.632 -2.429 -3.413) 4.496 5.156 ( 2.224 2.220 0.826) 3.249 5.179 ( 5.431 -0.342 0.565) 5.471 5.266 ( 0.519 0.086 1.449) 1.541 5.334 ( -2.177 -4.757 3.678) 6.395 5.440 ( -3.977 5.719 3.138) 7.640 5.521 ( -3.663 -0.817 0.349) 3.770 5.602 ( 0.792 2.388 2.711) 3.699 5.652 ( 2.797 -2.370 -0.450) 3.693 5.910 ( 2.246 4.454 -4.811) 6.930 6.014 ( 0.372 -4.988 -2.294) 5.503 6.496 ( -11.210 19.446 5.307) 23.065 6.876 ( -12.571 -17.124 4.956) 21.813 19.676 ( -0.442 0.534 0.111) 0.701 19.694 ( -0.806 -0.866 0.074) 1.186 19.736 ( -0.057 0.257 -0.116) 0.288 19.749 ( 0.113 -0.794 -0.413) 0.902 19.908 ( 0.837 0.307 -0.320) 0.947 19.916 ( 0.919 -0.539 -0.387) 1.133 20.019 ( 1.958 1.652 0.024) 2.562 20.044 ( 2.093 -0.677 -0.126) 2.203 25.081 ( 0.212 0.073 0.335) 0.403 25.083 ( 0.149 -0.116 0.467) 0.503 25.123 ( -0.025 0.065 -0.048) 0.084 25.125 ( -0.099 -0.086 -0.169) 0.214 31.487 ( 0.050 0.254 0.001) 0.259 31.494 ( -0.035 -0.336 -0.066) 0.344 31.513 ( 0.028 0.379 -0.537) 0.658 31.519 ( 0.026 -0.189 -0.979) 0.997 41.487 ( -5.890 5.390 -0.903) 8.035 41.616 ( -6.525 -6.435 -0.506) 9.178 42.178 ( 1.656 7.133 0.276) 7.328 42.271 ( 4.254 -2.129 -2.474) 5.362 42.470 ( 2.513 3.860 5.687) 7.318 42.539 ( 3.077 -2.733 5.268) 6.685 43.974 ( -0.882 3.856 -7.890) 8.826 44.089 ( 2.706 -7.396 -17.772) 19.438 ======================= Grid point 21 (14/96) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 14.454 6.969 -1.243) 16.094 1.451 ( 9.799 -9.065 -1.643) 13.450 1.988 ( 6.211 10.535 -3.008) 12.594 2.076 ( 2.164 2.670 1.699) 3.834 2.224 ( 2.931 3.012 3.709) 5.605 2.345 ( 6.922 -5.947 7.006) 11.505 2.513 ( 1.121 -1.902 -2.586) 3.400 2.556 ( 0.265 -4.647 -1.859) 5.012 2.929 ( 0.890 2.107 7.127) 7.485 2.991 ( -0.067 -2.681 4.172) 4.960 3.124 ( -4.943 3.233 0.187) 5.910 3.148 ( -2.681 1.896 -2.518) 4.138 3.269 ( 9.973 5.281 1.637) 11.403 3.322 ( 1.994 -2.941 -2.884) 4.577 3.349 ( 4.094 -1.981 -1.663) 4.842 3.356 ( 1.806 -3.487 1.547) 4.221 3.526 ( 4.857 2.997 -4.353) 7.178 3.564 ( 0.763 3.237 -0.191) 3.331 3.589 ( 4.081 2.958 -3.035) 5.883 3.687 ( 4.396 -4.538 2.966) 6.979 3.734 ( -3.945 3.048 -0.270) 4.993 3.793 ( -1.646 3.432 -5.545) 6.726 3.849 ( 5.238 3.086 0.985) 6.158 3.882 ( 0.271 -5.500 3.759) 6.667 3.901 ( 4.038 -5.497 -1.039) 6.900 4.038 ( -0.895 -6.704 1.030) 6.841 4.115 ( 3.895 -2.592 -0.050) 4.679 4.128 ( 0.871 -2.545 -1.469) 3.065 4.381 ( 1.573 4.155 -1.374) 4.650 4.473 ( 2.245 -4.127 -0.479) 4.722 4.601 ( -1.077 1.957 0.099) 2.236 4.633 ( 0.200 0.161 -1.263) 1.289 4.697 ( 1.025 4.760 -4.409) 6.569 4.766 ( -0.170 1.343 -5.914) 6.067 4.813 ( -1.044 0.225 -0.005) 1.068 4.859 ( -2.202 -4.789 4.418) 6.878 5.142 ( -5.024 3.870 3.822) 7.404 5.198 ( -2.569 -2.305 2.764) 4.421 5.249 ( -3.171 0.093 1.661) 3.581 5.284 ( -1.302 -2.148 1.295) 2.826 5.495 ( 2.810 1.647 0.595) 3.311 5.508 ( 7.077 -0.238 -1.177) 7.179 5.633 ( 2.038 5.572 -3.394) 6.835 5.712 ( 3.603 -2.471 -3.877) 5.841 5.944 ( 1.420 0.740 -1.033) 1.905 5.960 ( -5.487 0.217 0.265) 5.497 6.323 ( -6.776 12.405 4.506) 14.836 6.610 ( -15.768 -14.056 7.421) 22.389 19.679 ( 0.594 -0.147 0.160) 0.633 19.688 ( 0.110 -0.833 0.187) 0.861 19.734 ( -0.081 0.630 -0.180) 0.660 19.752 ( 0.249 -0.881 -0.341) 0.978 19.921 ( 0.570 0.279 -0.391) 0.745 19.929 ( 0.496 -0.561 -0.506) 0.904 20.051 ( 1.243 1.820 0.119) 2.207 20.076 ( 1.147 -0.473 -0.008) 1.241 25.086 ( 0.156 0.041 0.233) 0.283 25.087 ( 0.098 -0.062 0.306) 0.327 25.123 ( -0.066 0.002 -0.147) 0.161 25.123 ( -0.024 -0.017 -0.031) 0.043 31.489 ( 0.106 0.156 0.013) 0.189 31.493 ( -0.027 -0.202 -0.101) 0.227 31.513 ( 0.082 0.318 -0.474) 0.577 31.517 ( 0.037 -0.085 -0.817) 0.823 41.397 ( -3.042 2.865 -0.919) 4.278 41.492 ( -5.675 -5.741 -0.858) 8.118 42.161 ( -2.579 8.039 1.059) 8.509 42.272 ( -3.015 -2.833 0.819) 4.217 42.556 ( 4.601 4.409 1.728) 6.603 42.630 ( 4.350 -2.599 3.339) 6.068 43.986 ( 3.509 3.993 -5.017) 7.309 44.103 ( 2.554 -7.189 -12.227) 14.412 ======================= Grid point 22 (15/96) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 8.463 2.939 -0.519) 8.974 1.577 ( 2.382 -2.735 -0.263) 3.637 2.013 ( -0.575 6.816 -0.229) 6.844 2.065 ( -1.238 3.118 -0.283) 3.366 2.384 ( 5.150 -0.058 1.083) 5.263 2.473 ( 2.387 -6.736 4.153) 8.266 2.538 ( 6.374 3.627 -1.488) 7.483 2.611 ( 6.040 -0.753 -0.684) 6.125 2.811 ( -13.315 2.400 0.653) 13.545 2.924 ( -4.593 -8.137 2.682) 9.721 3.071 ( 0.697 0.252 0.661) 0.993 3.144 ( 0.796 -6.395 -0.028) 6.445 3.299 ( -0.129 0.376 -3.703) 3.725 3.328 ( -2.161 -2.006 -0.898) 3.082 3.414 ( 3.211 4.141 3.119) 6.098 3.444 ( 3.714 0.290 2.005) 4.230 3.575 ( 0.397 1.836 -2.094) 2.814 3.596 ( -0.346 -0.102 -2.563) 2.588 3.620 ( -0.729 2.620 -3.365) 4.326 3.659 ( -1.664 1.183 -0.205) 2.052 3.714 ( 0.164 1.744 0.479) 1.815 3.775 ( 1.278 -3.545 1.640) 4.110 3.864 ( -0.756 -2.174 1.422) 2.706 3.943 ( 0.402 -6.855 -0.385) 6.878 4.051 ( 8.729 4.635 2.062) 10.096 4.112 ( 3.010 0.141 0.572) 3.067 4.149 ( 3.347 1.378 -1.637) 3.973 4.213 ( 5.661 -4.175 1.718) 7.241 4.364 ( -3.777 4.025 -3.508) 6.540 4.486 ( -1.997 -6.003 -2.968) 6.988 4.557 ( -1.637 2.097 -1.545) 3.076 4.603 ( -1.292 -1.541 -2.016) 2.847 4.666 ( -0.262 2.077 0.117) 2.096 4.709 ( -4.019 -2.425 2.002) 5.102 4.887 ( 7.493 4.818 1.145) 8.982 4.939 ( 6.645 -0.047 2.511) 7.104 5.023 ( -6.411 5.163 1.559) 8.377 5.104 ( -8.007 -1.641 2.434) 8.528 5.221 ( 0.425 3.468 -1.754) 3.909 5.295 ( 0.910 -1.682 -0.793) 2.071 5.571 ( 3.920 3.138 -0.924) 5.106 5.615 ( 1.031 2.761 -0.549) 2.998 5.686 ( 5.734 -0.267 -2.609) 6.305 5.755 ( 1.157 -4.167 -6.809) 8.066 5.838 ( -3.882 3.687 4.760) 7.164 5.950 ( -2.141 -5.926 1.988) 6.608 6.263 ( -0.261 3.266 0.151) 3.280 6.347 ( -10.828 -5.034 5.423) 13.115 19.693 ( 0.481 -0.682 0.008) 0.835 19.694 ( 0.279 -0.651 0.206) 0.738 19.731 ( -0.157 1.113 -0.121) 1.130 19.755 ( 0.123 -1.058 -0.135) 1.074 19.927 ( 0.195 0.141 -0.155) 0.286 19.933 ( 0.088 -0.498 -0.256) 0.567 20.068 ( 0.438 1.733 0.061) 1.788 20.089 ( 0.313 -0.265 0.024) 0.411 25.088 ( 0.062 0.008 0.092) 0.112 25.089 ( 0.027 -0.021 0.090) 0.096 25.121 ( -0.026 0.056 -0.059) 0.085 25.123 ( -0.003 -0.064 -0.007) 0.064 31.491 ( 0.078 0.010 0.024) 0.083 31.492 ( -0.036 -0.101 -0.064) 0.125 31.513 ( 0.056 0.279 -0.211) 0.354 31.516 ( 0.010 0.034 -0.289) 0.291 41.365 ( 0.072 -0.357 -0.359) 0.512 41.400 ( -3.300 -3.506 -0.412) 4.832 42.119 ( -1.373 7.092 0.438) 7.236 42.213 ( -2.190 -2.005 0.691) 3.048 42.629 ( 2.030 4.508 0.274) 4.952 42.702 ( 1.946 -2.464 1.068) 3.316 44.053 ( 3.394 0.890 0.226) 3.517 44.101 ( -0.372 -3.625 -5.994) 7.015 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -6.098 0.000 20.076) 20.982 0.445 ( 0.753 0.000 21.229) 21.242 0.677 ( -21.763 0.000 31.944) 38.653 1.892 ( -0.619 0.000 11.331) 11.348 2.142 ( -5.325 0.000 -6.477) 8.385 2.168 ( 6.409 0.000 -13.962) 15.363 2.363 ( 2.743 0.000 1.554) 3.153 2.367 ( -3.561 0.000 -18.647) 18.983 2.587 ( 12.740 0.000 5.870) 14.027 2.761 ( -2.498 0.000 4.182) 4.871 2.868 ( 6.266 0.000 -0.824) 6.320 3.001 ( -1.467 0.000 4.475) 4.709 3.078 ( -0.337 0.000 3.809) 3.824 3.102 ( -1.798 0.000 2.501) 3.080 3.242 ( 3.886 0.000 -2.494) 4.618 3.385 ( -3.197 0.000 3.846) 5.001 3.428 ( 7.115 0.000 -0.821) 7.163 3.431 ( 0.207 0.000 -0.139) 0.250 3.648 ( -0.615 0.000 6.224) 6.255 3.709 ( -0.650 0.000 -4.752) 4.796 3.805 ( 1.151 0.000 -0.962) 1.500 3.875 ( 2.828 0.000 -2.835) 4.005 3.915 ( -7.932 0.000 -3.754) 8.775 4.033 ( -1.730 0.000 -5.100) 5.386 4.038 ( -2.278 0.000 -2.860) 3.656 4.116 ( 3.100 0.000 -0.899) 3.228 4.277 ( -2.061 0.000 -0.405) 2.100 4.309 ( 0.131 0.000 1.835) 1.839 4.310 ( -1.781 0.000 6.557) 6.795 4.404 ( -4.293 0.000 -2.491) 4.963 4.494 ( 6.321 0.000 -0.980) 6.397 4.552 ( 8.449 0.000 3.598) 9.183 4.727 ( -3.893 0.000 -1.343) 4.118 4.814 ( 4.133 0.000 2.021) 4.601 4.923 ( -5.066 0.000 0.520) 5.093 5.003 ( -2.292 0.000 2.835) 3.646 5.030 ( 1.778 0.000 0.795) 1.948 5.085 ( 4.153 0.000 -10.241) 11.051 5.202 ( 32.543 0.000 -0.766) 32.552 5.250 ( 1.960 0.000 -8.351) 8.578 5.454 ( -5.141 0.000 1.829) 5.456 5.464 ( -1.797 0.000 -8.417) 8.607 5.658 ( 5.546 0.000 2.435) 6.057 5.748 ( -0.738 0.000 -1.106) 1.330 5.750 ( 2.976 0.000 1.487) 3.326 6.117 ( -0.614 0.000 5.625) 5.658 6.297 ( -1.459 0.000 14.301) 14.375 7.663 ( -19.115 0.000 -4.354) 19.605 19.686 ( 0.193 0.000 -0.059) 0.202 19.693 ( -0.053 0.000 0.003) 0.053 19.767 ( 0.086 0.000 -0.080) 0.117 19.768 ( -0.096 0.000 -0.070) 0.119 19.899 ( 0.515 0.000 -0.098) 0.524 19.903 ( -1.093 0.000 -0.347) 1.146 19.936 ( -0.240 0.000 0.608) 0.654 19.982 ( -0.319 0.000 -0.180) 0.367 25.077 ( 0.039 0.000 0.155) 0.159 25.117 ( -0.046 0.000 -0.313) 0.316 25.136 ( -0.295 0.000 0.279) 0.406 25.164 ( 4.132 0.000 0.011) 4.132 31.489 ( -0.411 0.000 0.024) 0.412 31.495 ( 0.181 0.000 -0.132) 0.224 31.509 ( -0.057 0.000 0.052) 0.077 31.524 ( 0.057 0.000 -0.053) 0.078 41.496 ( 1.410 0.000 0.741) 1.593 41.653 ( -2.616 0.000 -0.800) 2.736 41.902 ( -1.035 0.000 -1.759) 2.041 42.150 ( -47.834 0.000 -3.313) 47.949 42.193 ( -4.281 0.000 6.403) 7.702 42.337 ( -15.822 0.000 3.024) 16.109 42.601 ( 2.502 0.000 4.799) 5.412 44.190 ( -13.857 0.000 -11.958) 18.303 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 12.759 0.000 15.072) 19.747 0.673 ( 21.433 0.000 8.541) 23.072 1.028 ( 38.693 0.000 9.795) 39.913 1.917 ( 0.230 0.000 8.793) 8.796 1.962 ( -8.351 0.000 -8.155) 11.673 2.265 ( 5.375 0.000 -3.667) 6.507 2.297 ( -0.888 0.000 -11.540) 11.574 2.459 ( 7.067 0.000 -0.127) 7.068 2.770 ( 2.694 0.000 2.562) 3.718 2.857 ( 11.416 0.000 4.630) 12.319 2.934 ( -2.800 0.000 3.202) 4.254 2.956 ( -1.162 0.000 3.638) 3.819 3.048 ( 5.764 0.000 -4.444) 7.278 3.165 ( 2.810 0.000 8.678) 9.121 3.289 ( 0.101 0.000 3.025) 3.026 3.395 ( 3.038 0.000 3.284) 4.473 3.471 ( 3.695 0.000 -0.169) 3.699 3.573 ( 8.216 0.000 -0.976) 8.273 3.609 ( 0.162 0.000 11.386) 11.387 3.687 ( -1.076 0.000 -6.229) 6.321 3.752 ( -5.401 0.000 -6.495) 8.447 3.810 ( 0.091 0.000 -0.211) 0.229 3.892 ( -3.557 0.000 0.425) 3.583 3.941 ( -6.204 0.000 -6.666) 9.107 4.044 ( 4.958 0.000 -4.293) 6.558 4.118 ( -2.883 0.000 0.957) 3.037 4.197 ( -5.958 0.000 -2.091) 6.314 4.288 ( -2.336 0.000 -1.956) 3.047 4.308 ( 0.991 0.000 0.582) 1.149 4.338 ( -0.579 0.000 3.149) 3.202 4.548 ( -1.252 0.000 2.587) 2.875 4.709 ( 3.210 0.000 -4.705) 5.695 4.735 ( 8.069 0.000 1.817) 8.271 4.785 ( -2.734 0.000 0.117) 2.736 4.807 ( -4.138 0.000 -1.718) 4.480 4.954 ( -1.842 0.000 -0.257) 1.860 5.079 ( 2.499 0.000 1.250) 2.794 5.211 ( 1.731 0.000 0.435) 1.785 5.243 ( 4.825 0.000 -11.038) 12.047 5.328 ( -7.694 0.000 0.688) 7.724 5.438 ( 2.509 0.000 -11.263) 11.539 5.588 ( -5.900 0.000 7.652) 9.663 5.706 ( 1.535 0.000 1.007) 1.836 5.769 ( 2.233 0.000 -1.432) 2.653 5.792 ( 0.158 0.000 0.897) 0.911 6.086 ( -4.018 0.000 7.381) 8.403 6.267 ( -5.148 0.000 12.664) 13.671 7.351 ( -5.178 0.000 -3.774) 6.408 19.687 ( -0.092 0.000 -0.241) 0.258 19.690 ( 0.197 0.000 0.092) 0.217 19.760 ( -0.532 0.000 -0.158) 0.555 19.764 ( -0.513 0.000 -0.255) 0.572 19.898 ( 0.328 0.000 -0.380) 0.502 19.904 ( 0.071 0.000 0.389) 0.396 19.951 ( 1.518 0.000 0.426) 1.577 19.995 ( 1.484 0.000 -0.466) 1.555 25.080 ( 0.151 0.000 0.171) 0.228 25.111 ( -0.437 0.000 -0.275) 0.517 25.129 ( -0.368 0.000 0.040) 0.370 25.163 ( -1.922 0.000 1.972) 2.753 31.481 ( -0.357 0.000 -0.273) 0.450 31.497 ( 0.001 0.000 0.054) 0.054 31.508 ( -0.023 0.000 0.007) 0.024 31.512 ( -0.966 0.000 -0.112) 0.973 41.529 ( 1.247 0.000 2.765) 3.033 41.604 ( -1.374 0.000 -3.782) 4.024 41.892 ( 0.459 0.000 -3.990) 4.017 42.171 ( 0.256 0.000 4.990) 4.996 42.363 ( 13.134 0.000 -4.531) 13.894 42.644 ( 52.920 0.000 -34.433) 63.136 42.667 ( 2.610 0.000 7.753) 8.181 43.958 ( -8.384 0.000 -11.106) 13.916 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 14.251 0.000 10.776) 17.867 1.143 ( 23.359 0.000 1.263) 23.393 1.826 ( -2.534 0.000 -7.737) 8.141 1.880 ( 43.132 0.000 -2.974) 43.235 1.939 ( -0.821 0.000 7.839) 7.881 2.227 ( -3.845 0.000 -5.115) 6.399 2.344 ( 3.735 0.000 -0.384) 3.755 2.605 ( 5.994 0.000 1.326) 6.139 2.873 ( 7.322 0.000 0.447) 7.335 2.912 ( -1.374 0.000 1.717) 2.199 2.971 ( 6.403 0.000 -2.499) 6.874 3.043 ( 5.641 0.000 2.183) 6.049 3.206 ( 6.419 0.000 4.776) 8.001 3.260 ( 6.477 0.000 2.013) 6.782 3.277 ( -2.195 0.000 2.875) 3.618 3.452 ( 0.608 0.000 2.475) 2.548 3.492 ( -5.807 0.000 -1.244) 5.939 3.525 ( -2.645 0.000 9.765) 10.117 3.649 ( 2.094 0.000 -2.772) 3.474 3.675 ( -1.064 0.000 -3.316) 3.482 3.800 ( -2.555 0.000 2.251) 3.405 3.802 ( -5.082 0.000 -3.322) 6.072 3.839 ( 0.557 0.000 -3.223) 3.271 3.931 ( 13.503 0.000 -1.994) 13.649 4.041 ( -0.659 0.000 2.105) 2.206 4.061 ( -3.908 0.000 -2.830) 4.825 4.109 ( 0.793 0.000 -3.658) 3.743 4.251 ( 0.154 0.000 0.540) 0.562 4.334 ( -1.613 0.000 -0.576) 1.713 4.350 ( 1.387 0.000 0.800) 1.601 4.535 ( -0.539 0.000 -0.370) 0.654 4.679 ( -3.777 0.000 -4.183) 5.636 4.735 ( -2.123 0.000 1.456) 2.574 4.812 ( 3.475 0.000 0.763) 3.558 4.868 ( 4.227 0.000 -1.454) 4.470 4.983 ( 5.602 0.000 -2.891) 6.304 5.120 ( -2.276 0.000 0.231) 2.288 5.171 ( -2.023 0.000 0.169) 2.030 5.190 ( -1.681 0.000 2.310) 2.856 5.301 ( -1.078 0.000 -3.843) 3.991 5.440 ( -8.847 0.000 9.957) 13.320 5.519 ( 8.291 0.000 -9.355) 12.500 5.679 ( -3.704 0.000 5.192) 6.377 5.722 ( -7.372 0.000 1.378) 7.500 5.776 ( -1.312 0.000 -0.345) 1.357 6.049 ( -0.480 0.000 2.206) 2.257 6.189 ( -5.577 0.000 10.434) 11.831 7.239 ( -7.692 0.000 -5.947) 9.723 19.692 ( -0.029 0.000 0.322) 0.324 19.693 ( 0.807 0.000 -0.783) 1.124 19.751 ( -0.576 0.000 -0.237) 0.623 19.754 ( 0.080 0.000 -0.296) 0.307 19.907 ( 0.767 0.000 -0.572) 0.957 19.909 ( 0.332 0.000 0.582) 0.670 19.987 ( 1.819 0.000 0.348) 1.852 20.025 ( 1.484 0.000 -0.517) 1.572 25.084 ( 0.181 0.000 0.108) 0.210 25.101 ( -0.470 0.000 -0.053) 0.473 25.123 ( -0.261 0.000 -0.078) 0.272 25.143 ( -0.752 0.000 1.589) 1.758 31.476 ( 0.042 0.000 -0.411) 0.413 31.496 ( -0.062 0.000 0.125) 0.139 31.497 ( -0.438 0.000 -0.719) 0.842 31.508 ( -0.002 0.000 0.076) 0.076 41.551 ( -0.201 0.000 4.794) 4.798 41.553 ( -2.172 0.000 -4.220) 4.746 41.877 ( -1.241 0.000 -3.850) 4.045 42.229 ( 4.477 0.000 1.913) 4.868 42.480 ( 0.471 0.000 5.365) 5.385 42.755 ( 3.601 0.000 10.597) 11.192 43.408 ( 32.262 0.000 -38.410) 50.161 43.824 ( -0.276 0.000 -12.616) 12.619 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 13.538 0.000 7.876) 15.663 1.531 ( 14.258 0.000 -3.558) 14.695 1.836 ( 5.292 0.000 -4.036) 6.655 1.906 ( -5.197 0.000 7.713) 9.301 2.153 ( -0.614 0.000 -2.801) 2.867 2.416 ( 5.326 0.000 -2.079) 5.718 2.576 ( 22.757 0.000 -6.276) 23.607 2.669 ( 0.653 0.000 0.412) 0.772 2.892 ( -2.345 0.000 1.992) 3.077 3.045 ( 8.145 0.000 -8.791) 11.985 3.117 ( 1.893 0.000 3.545) 4.019 3.119 ( 10.715 0.000 0.505) 10.727 3.247 ( -10.501 0.000 -1.829) 10.659 3.297 ( 5.388 0.000 1.737) 5.661 3.316 ( 2.795 0.000 7.783) 8.269 3.443 ( 0.609 0.000 -1.278) 1.416 3.449 ( 6.125 0.000 -1.372) 6.277 3.538 ( 2.187 0.000 10.377) 10.605 3.625 ( -4.765 0.000 -6.460) 8.027 3.690 ( -5.304 0.000 2.186) 5.737 3.710 ( 1.964 0.000 0.403) 2.005 3.787 ( 1.304 0.000 2.145) 2.510 3.895 ( 5.845 0.000 -2.657) 6.421 3.931 ( -0.874 0.000 0.669) 1.101 4.017 ( -0.144 0.000 -4.978) 4.980 4.116 ( 0.557 0.000 1.106) 1.239 4.120 ( -1.393 0.000 0.395) 1.448 4.269 ( -3.737 0.000 -1.787) 4.143 4.360 ( 0.431 0.000 -1.086) 1.168 4.426 ( 13.751 0.000 1.655) 13.851 4.478 ( -3.408 0.000 -2.912) 4.482 4.627 ( -1.585 0.000 -0.954) 1.850 4.706 ( -1.371 0.000 0.556) 1.480 4.856 ( -0.137 0.000 -1.454) 1.461 4.878 ( -2.549 0.000 1.084) 2.770 4.981 ( -9.064 0.000 4.995) 10.349 5.108 ( -0.679 0.000 0.951) 1.169 5.155 ( 3.504 0.000 4.896) 6.021 5.219 ( -3.423 0.000 -0.464) 3.454 5.257 ( -2.646 0.000 -1.068) 2.853 5.386 ( 7.310 0.000 1.870) 7.545 5.525 ( -6.021 0.000 -0.280) 6.027 5.620 ( -2.149 0.000 5.913) 6.292 5.703 ( 7.682 0.000 -9.362) 12.110 5.736 ( -1.922 0.000 -1.326) 2.335 6.057 ( 0.202 0.000 0.191) 0.278 6.131 ( -2.248 0.000 5.537) 5.976 6.991 ( -16.376 0.000 -1.372) 16.434 19.693 ( 0.029 0.000 0.359) 0.360 19.711 ( 1.089 0.000 -0.853) 1.383 19.743 ( -0.102 0.000 -0.160) 0.190 19.759 ( 0.440 0.000 -0.274) 0.519 19.918 ( 0.360 0.000 0.481) 0.601 19.926 ( 1.251 0.000 -0.694) 1.431 20.016 ( 0.890 0.000 0.377) 0.967 20.046 ( 0.852 0.000 -0.427) 0.953 25.087 ( 0.113 0.000 -0.034) 0.118 25.094 ( -0.309 0.000 -0.101) 0.325 25.120 ( -0.038 0.000 0.021) 0.043 25.137 ( -0.366 0.000 0.989) 1.055 31.482 ( 0.611 0.000 -0.328) 0.694 31.491 ( 0.073 0.000 -0.831) 0.835 31.495 ( -0.070 0.000 0.088) 0.112 31.507 ( -0.064 0.000 0.148) 0.161 41.512 ( -0.483 0.000 -4.171) 4.199 41.545 ( -1.867 0.000 5.143) 5.471 41.829 ( -2.126 0.000 -2.187) 3.050 42.341 ( 6.061 0.000 -0.446) 6.078 42.406 ( -8.398 0.000 4.480) 9.518 42.852 ( 2.487 0.000 12.425) 12.671 43.770 ( 15.676 0.000 -24.270) 28.893 43.889 ( 9.129 0.000 -9.983) 13.528 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 10.223 0.000 5.961) 11.833 1.665 ( 3.020 0.000 -6.177) 6.876 1.765 ( -11.121 0.000 6.181) 12.723 1.920 ( 2.356 0.000 1.712) 2.913 2.266 ( 10.737 0.000 -4.896) 11.801 2.494 ( 2.691 0.000 -2.572) 3.722 2.642 ( -3.170 0.000 -7.514) 8.156 2.733 ( 1.865 0.000 -1.967) 2.711 2.808 ( -6.429 0.000 2.354) 6.847 2.996 ( -9.814 0.000 -0.951) 9.860 3.126 ( 0.512 0.000 -7.159) 7.178 3.209 ( 3.148 0.000 6.447) 7.174 3.285 ( 3.900 0.000 2.057) 4.409 3.324 ( -5.717 0.000 0.465) 5.736 3.392 ( 4.184 0.000 -1.010) 4.304 3.496 ( 2.115 0.000 1.049) 2.361 3.533 ( -3.432 0.000 1.807) 3.879 3.607 ( 4.388 0.000 -6.711) 8.018 3.648 ( 13.596 0.000 -4.422) 14.297 3.728 ( 7.868 0.000 11.948) 14.306 3.761 ( 3.228 0.000 3.324) 4.633 3.806 ( -0.444 0.000 -1.187) 1.267 3.940 ( 0.077 0.000 -0.360) 0.368 3.988 ( 3.124 0.000 -3.947) 5.034 4.008 ( -0.286 0.000 -0.474) 0.554 4.060 ( -3.816 0.000 -0.654) 3.872 4.146 ( 2.515 0.000 0.315) 2.535 4.279 ( 7.959 0.000 3.053) 8.525 4.362 ( 1.006 0.000 -4.791) 4.895 4.449 ( 0.529 0.000 -2.447) 2.503 4.606 ( 0.303 0.000 4.945) 4.955 4.608 ( 0.815 0.000 0.603) 1.014 4.649 ( -6.383 0.000 2.378) 6.812 4.767 ( -8.407 0.000 7.791) 11.462 4.787 ( -5.956 0.000 -1.954) 6.268 4.850 ( -2.507 0.000 -0.258) 2.520 4.986 ( -6.740 0.000 -3.013) 7.382 5.114 ( -4.819 0.000 6.919) 8.432 5.153 ( -4.670 0.000 -0.664) 4.717 5.309 ( 3.531 0.000 4.334) 5.590 5.466 ( -1.391 0.000 3.981) 4.217 5.511 ( 5.453 0.000 -4.300) 6.945 5.675 ( -1.491 0.000 -0.995) 1.792 5.788 ( 1.722 0.000 -2.885) 3.359 5.850 ( 21.651 0.000 -6.028) 22.474 6.051 ( -0.414 0.000 -1.419) 1.479 6.131 ( 0.969 0.000 0.889) 1.315 6.605 ( -22.495 0.000 2.384) 22.621 19.694 ( -0.005 0.000 0.251) 0.252 19.725 ( 0.501 0.000 -0.516) 0.719 19.747 ( 0.478 0.000 -0.096) 0.487 19.765 ( 0.180 0.000 -0.218) 0.283 19.923 ( -0.052 0.000 0.194) 0.201 19.951 ( 1.418 0.000 -0.587) 1.535 20.022 ( -0.340 0.000 0.402) 0.526 20.057 ( 0.377 0.000 -0.282) 0.471 25.088 ( 0.011 0.000 -0.156) 0.156 25.088 ( -0.247 0.000 -0.247) 0.350 25.121 ( 0.150 0.000 0.243) 0.286 25.133 ( -0.266 0.000 0.640) 0.693 31.493 ( 0.285 0.000 -0.430) 0.516 31.493 ( -0.141 0.000 -0.044) 0.148 31.498 ( 0.954 0.000 -0.073) 0.957 31.506 ( -0.094 0.000 0.119) 0.152 41.510 ( -2.777 0.000 3.005) 4.092 41.519 ( 2.289 0.000 -3.146) 3.890 41.806 ( 0.415 0.000 0.628) 0.752 42.241 ( -7.771 0.000 1.559) 7.926 42.440 ( 3.816 0.000 -0.902) 3.921 42.904 ( -1.227 0.000 12.722) 12.781 43.887 ( 3.676 0.000 -19.257) 19.604 44.110 ( 13.551 0.000 -2.176) 13.724 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -15.778 0.000 2.740) 16.014 1.684 ( 1.631 0.000 -4.488) 4.775 1.709 ( 4.762 0.000 6.786) 8.290 1.966 ( 0.673 0.000 3.048) 3.122 2.300 ( -8.168 0.000 -2.096) 8.432 2.483 ( -3.178 0.000 -4.789) 5.748 2.520 ( -5.469 0.000 -8.931) 10.473 2.751 ( 1.695 0.000 -7.894) 8.074 2.763 ( 1.322 0.000 -7.407) 7.524 2.889 ( -0.852 0.000 3.772) 3.867 3.066 ( -2.155 0.000 -0.478) 2.207 3.159 ( -6.644 0.000 -1.490) 6.809 3.300 ( -2.655 0.000 3.901) 4.719 3.315 ( 3.812 0.000 6.180) 7.262 3.425 ( -1.063 0.000 -1.903) 2.180 3.551 ( 1.772 0.000 -0.502) 1.841 3.587 ( 6.182 0.000 5.963) 8.589 3.655 ( 1.084 0.000 -7.126) 7.208 3.749 ( 0.865 0.000 3.271) 3.383 3.764 ( -2.430 0.000 -1.664) 2.945 3.788 ( -3.249 0.000 3.664) 4.897 3.824 ( -7.456 0.000 -2.219) 7.779 3.961 ( 4.618 0.000 10.522) 11.490 3.982 ( -1.231 0.000 2.114) 2.447 4.006 ( -0.456 0.000 -2.263) 2.308 4.086 ( 6.408 0.000 -4.017) 7.563 4.185 ( 0.841 0.000 1.849) 2.031 4.275 ( -20.107 0.000 8.230) 21.726 4.406 ( 5.671 0.000 -9.001) 10.638 4.451 ( -0.009 0.000 -2.909) 2.909 4.543 ( 9.593 0.000 2.261) 9.856 4.590 ( -6.891 0.000 2.123) 7.211 4.631 ( 0.549 0.000 1.903) 1.981 4.735 ( 0.335 0.000 3.030) 3.049 4.752 ( 6.082 0.000 1.857) 6.359 4.829 ( 0.398 0.000 -1.587) 1.636 4.894 ( -1.455 0.000 -1.809) 2.321 5.065 ( -0.702 0.000 2.741) 2.829 5.129 ( 4.139 0.000 -3.841) 5.647 5.361 ( 2.254 0.000 -2.034) 3.037 5.440 ( -2.357 0.000 3.191) 3.967 5.616 ( 3.328 0.000 4.040) 5.234 5.620 ( -3.612 0.000 -1.633) 3.963 5.754 ( -4.136 0.000 0.621) 4.182 6.034 ( -0.636 0.000 -1.818) 1.926 6.156 ( -22.641 0.000 3.703) 22.942 6.156 ( 1.005 0.000 -0.484) 1.116 6.324 ( 26.325 0.000 -7.629) 27.408 19.692 ( -0.329 0.000 0.145) 0.360 19.730 ( 0.230 0.000 -0.263) 0.350 19.755 ( 0.123 0.000 0.107) 0.163 19.765 ( -0.120 0.000 -0.260) 0.287 19.917 ( -0.553 0.000 -0.105) 0.563 19.971 ( 0.524 0.000 0.113) 0.536 20.010 ( -0.759 0.000 0.044) 0.760 20.060 ( -0.002 0.000 -0.140) 0.140 25.082 ( -0.257 0.000 -0.385) 0.463 25.086 ( -0.083 0.000 -0.169) 0.189 25.126 ( 0.229 0.000 0.442) 0.498 25.129 ( -0.224 0.000 0.411) 0.468 31.489 ( -0.177 0.000 -0.222) 0.284 31.497 ( 0.153 0.000 0.058) 0.163 31.505 ( -0.023 0.000 0.025) 0.034 31.518 ( 0.934 0.000 0.330) 0.991 41.466 ( -1.849 0.000 0.427) 1.898 41.573 ( 3.376 0.000 -0.981) 3.516 41.849 ( 3.014 0.000 3.683) 4.759 42.146 ( -1.487 0.000 -2.198) 2.654 42.477 ( 0.214 0.000 -0.824) 0.851 42.868 ( -6.028 0.000 11.676) 13.140 43.853 ( -1.314 0.000 -14.276) 14.336 44.359 ( 11.739 0.000 0.622) 11.755 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -18.687 0.000 2.968) 18.921 1.681 ( -8.404 0.000 3.272) 9.018 1.779 ( 0.671 0.000 5.596) 5.636 1.856 ( -6.742 0.000 0.993) 6.814 2.208 ( 3.018 0.000 -3.339) 4.501 2.325 ( -9.017 0.000 -9.749) 13.280 2.418 ( -2.906 0.000 -9.596) 10.026 2.716 ( -1.644 0.000 -11.392) 11.509 2.761 ( 1.354 0.000 -5.172) 5.346 2.899 ( -1.080 0.000 -1.294) 1.685 3.012 ( -9.173 0.000 4.455) 10.198 3.083 ( -2.537 0.000 0.787) 2.656 3.202 ( -16.420 0.000 5.800) 17.414 3.324 ( -6.303 0.000 -0.895) 6.367 3.378 ( -0.713 0.000 2.548) 2.646 3.488 ( -11.831 0.000 9.296) 15.046 3.574 ( -0.168 0.000 3.864) 3.867 3.627 ( -6.300 0.000 3.427) 7.172 3.629 ( 2.422 0.000 -10.231) 10.514 3.702 ( -2.406 0.000 0.164) 2.412 3.811 ( 3.237 0.000 6.607) 7.357 3.839 ( 4.961 0.000 1.598) 5.212 3.949 ( -1.322 0.000 7.235) 7.355 3.979 ( -1.335 0.000 -2.270) 2.633 4.008 ( 1.901 0.000 4.167) 4.580 4.148 ( 0.974 0.000 2.581) 2.759 4.175 ( -0.041 0.000 -6.587) 6.587 4.209 ( 1.054 0.000 2.033) 2.290 4.389 ( -4.348 0.000 -2.113) 4.834 4.479 ( -4.188 0.000 -2.315) 4.785 4.505 ( -4.621 0.000 6.207) 7.738 4.515 ( 7.809 0.000 -11.514) 13.912 4.717 ( 0.594 0.000 2.811) 2.873 4.778 ( 2.058 0.000 -1.210) 2.387 4.846 ( 1.112 0.000 -1.012) 1.504 4.893 ( 6.790 0.000 -1.618) 6.980 4.919 ( 4.455 0.000 -0.272) 4.464 5.158 ( 8.771 0.000 3.323) 9.379 5.287 ( 9.879 0.000 -3.965) 10.645 5.377 ( -3.626 0.000 -0.889) 3.734 5.383 ( 0.414 0.000 -2.007) 2.049 5.499 ( -8.953 0.000 2.688) 9.348 5.621 ( -4.735 0.000 6.375) 7.941 5.669 ( -3.445 0.000 -2.218) 4.097 5.814 ( -10.733 0.000 1.861) 10.893 6.037 ( 1.491 0.000 2.867) 3.231 6.154 ( -1.189 0.000 0.076) 1.192 6.814 ( 25.271 0.000 -7.319) 26.309 19.684 ( -0.345 0.000 0.037) 0.347 19.733 ( -0.014 0.000 -0.148) 0.149 19.752 ( -0.244 0.000 0.187) 0.307 19.761 ( -0.194 0.000 -0.286) 0.346 19.903 ( -0.686 0.000 -0.246) 0.729 19.967 ( -0.994 0.000 1.124) 1.501 19.997 ( -0.601 0.000 -0.534) 0.804 20.054 ( -0.628 0.000 -0.103) 0.636 25.076 ( -0.266 0.000 -0.428) 0.504 25.084 ( -0.157 0.000 -0.107) 0.190 25.126 ( -0.181 0.000 0.254) 0.311 25.132 ( 0.210 0.000 0.567) 0.605 31.486 ( -0.032 0.000 -0.354) 0.355 31.499 ( -0.023 0.000 0.451) 0.452 31.505 ( 0.068 0.000 -0.027) 0.073 31.533 ( 0.482 0.000 0.505) 0.698 41.446 ( -0.155 0.000 -0.969) 0.981 41.630 ( 2.246 0.000 1.022) 2.468 41.928 ( 3.069 0.000 5.691) 6.466 42.158 ( 2.957 0.000 -5.880) 6.582 42.454 ( -1.846 0.000 -0.427) 1.895 42.739 ( -9.834 0.000 9.303) 13.537 43.789 ( -0.646 0.000 -11.858) 11.876 44.569 ( 9.398 0.000 1.182) 9.472 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -18.230 0.000 6.001) 19.193 1.274 ( -27.383 0.000 8.668) 28.722 1.772 ( -3.696 0.000 4.438) 5.775 1.940 ( 9.363 0.000 0.247) 9.366 2.146 ( -4.786 0.000 -12.015) 12.934 2.294 ( 5.304 0.000 -6.749) 8.584 2.317 ( -12.494 0.000 -1.880) 12.635 2.446 ( -32.521 0.000 13.408) 35.177 2.654 ( -1.098 0.000 -10.116) 10.175 2.797 ( 2.146 0.000 -4.325) 4.828 2.857 ( -3.073 0.000 -6.115) 6.844 2.974 ( -7.601 0.000 2.749) 8.082 3.003 ( -3.675 0.000 0.932) 3.792 3.252 ( -4.487 0.000 5.525) 7.118 3.297 ( -6.250 0.000 1.834) 6.513 3.426 ( -3.765 0.000 4.043) 5.524 3.488 ( -3.958 0.000 2.380) 4.619 3.525 ( -3.889 0.000 -0.372) 3.907 3.670 ( 3.535 0.000 -4.022) 5.355 3.795 ( 7.219 0.000 2.297) 7.576 3.840 ( -8.608 0.000 -1.644) 8.763 3.887 ( 1.738 0.000 5.038) 5.330 3.913 ( -4.370 0.000 -1.177) 4.526 4.002 ( 5.007 0.000 5.274) 7.272 4.072 ( 3.504 0.000 1.301) 3.738 4.141 ( 2.730 0.000 0.943) 2.888 4.184 ( -3.415 0.000 -1.496) 3.728 4.206 ( 3.847 0.000 -0.663) 3.904 4.344 ( 0.097 0.000 -5.103) 5.104 4.403 ( -2.622 0.000 2.039) 3.322 4.430 ( -5.614 0.000 5.513) 7.869 4.646 ( 8.728 0.000 -9.891) 13.191 4.724 ( -1.253 0.000 1.955) 2.322 4.746 ( -4.940 0.000 -2.393) 5.489 4.833 ( -0.728 0.000 0.206) 0.756 4.992 ( 2.211 0.000 -4.486) 5.001 5.037 ( 7.490 0.000 -8.707) 11.485 5.244 ( -3.750 0.000 3.829) 5.359 5.264 ( -3.225 0.000 2.958) 4.376 5.364 ( -1.547 0.000 -0.474) 1.618 5.427 ( 0.215 0.000 7.246) 7.250 5.494 ( 6.036 0.000 0.595) 6.065 5.509 ( -4.452 0.000 4.504) 6.333 5.612 ( 0.543 0.000 -9.428) 9.443 5.719 ( -0.544 0.000 -2.175) 2.242 6.097 ( 1.255 0.000 -2.188) 2.522 6.141 ( 1.323 0.000 11.789) 11.863 7.262 ( 22.038 0.000 -4.545) 22.502 19.681 ( 0.002 0.000 -0.087) 0.087 19.721 ( -1.032 0.000 -0.117) 1.038 19.756 ( 0.504 0.000 -0.046) 0.506 19.758 ( 0.098 0.000 -0.186) 0.210 19.891 ( -0.376 0.000 -0.258) 0.457 19.948 ( -1.146 0.000 1.099) 1.588 19.977 ( -1.340 0.000 -0.219) 1.358 20.034 ( -1.342 0.000 -0.141) 1.350 25.070 ( -0.109 0.000 -0.098) 0.146 25.080 ( -0.168 0.000 -0.013) 0.168 25.124 ( -0.130 0.000 0.141) 0.192 25.137 ( 0.096 0.000 0.592) 0.600 31.487 ( 0.188 0.000 -0.380) 0.424 31.498 ( -0.131 0.000 0.561) 0.576 31.507 ( 0.099 0.000 0.015) 0.101 31.538 ( -0.167 0.000 0.247) 0.298 41.452 ( 0.936 0.000 -1.209) 1.529 41.663 ( 0.781 0.000 1.134) 1.377 41.973 ( -0.550 0.000 4.954) 4.985 42.197 ( 2.477 0.000 -6.730) 7.171 42.417 ( -3.138 0.000 4.357) 5.369 42.568 ( -7.596 0.000 3.669) 8.436 43.766 ( 1.180 0.000 -14.088) 14.138 44.726 ( 6.308 0.000 -5.230) 8.194 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -12.486 0.000 14.134) 18.859 0.757 ( -27.088 0.000 12.955) 30.027 1.382 ( -43.015 0.000 17.332) 46.376 1.898 ( -6.575 0.000 13.755) 15.246 2.103 ( 3.537 0.000 -14.260) 14.692 2.133 ( 7.953 0.000 -2.187) 8.248 2.326 ( -0.073 0.000 1.798) 1.800 2.361 ( 5.428 0.000 -6.458) 8.436 2.575 ( -6.549 0.000 -12.048) 13.713 2.779 ( 1.255 0.000 -2.560) 2.852 2.836 ( -4.995 0.000 5.880) 7.715 2.865 ( 5.336 0.000 -1.145) 5.457 3.015 ( 3.033 0.000 1.641) 3.449 3.188 ( -5.404 0.000 3.258) 6.310 3.209 ( -1.537 0.000 8.266) 8.408 3.320 ( -2.999 0.000 -1.199) 3.230 3.458 ( -2.596 0.000 -0.266) 2.609 3.469 ( -3.579 0.000 3.603) 5.079 3.654 ( -5.426 0.000 2.887) 6.146 3.722 ( 1.963 0.000 -3.216) 3.768 3.818 ( -3.638 0.000 -2.640) 4.495 3.866 ( 0.289 0.000 -1.778) 1.801 3.965 ( 3.395 0.000 3.174) 4.648 4.062 ( 0.055 0.000 1.110) 1.111 4.088 ( -2.006 0.000 -2.274) 3.033 4.142 ( -3.929 0.000 -5.417) 6.692 4.217 ( 6.268 0.000 3.365) 7.114 4.315 ( -0.413 0.000 11.006) 11.014 4.327 ( -0.983 0.000 -1.821) 2.069 4.381 ( 5.785 0.000 2.349) 6.244 4.397 ( 2.277 0.000 -1.559) 2.760 4.561 ( -9.257 0.000 -4.654) 10.361 4.721 ( -0.838 0.000 1.683) 1.880 4.773 ( 2.763 0.000 -3.801) 4.699 4.846 ( 4.523 0.000 -0.758) 4.586 5.001 ( 0.952 0.000 -1.153) 1.495 5.100 ( -0.682 0.000 -12.389) 12.408 5.131 ( -8.003 0.000 -3.121) 8.591 5.162 ( -4.231 0.000 2.915) 5.137 5.264 ( -7.837 0.000 2.185) 8.136 5.486 ( 7.159 0.000 6.082) 9.394 5.518 ( -0.780 0.000 -5.476) 5.531 5.532 ( -0.098 0.000 -0.885) 0.890 5.673 ( 4.761 0.000 0.737) 4.817 5.742 ( 2.112 0.000 -2.815) 3.519 6.096 ( 0.829 0.000 0.500) 0.968 6.242 ( 2.680 0.000 14.527) 14.772 7.639 ( 16.241 0.000 -3.226) 16.559 19.683 ( 0.153 0.000 -0.129) 0.200 19.700 ( -0.891 0.000 -0.248) 0.925 19.764 ( 0.408 0.000 -0.079) 0.416 19.765 ( 0.359 0.000 -0.178) 0.401 19.890 ( 0.296 0.000 -0.258) 0.392 19.928 ( -1.130 0.000 0.206) 1.149 19.950 ( -1.225 0.000 0.320) 1.266 20.004 ( -1.564 0.000 -0.129) 1.570 25.077 ( -0.091 0.000 0.084) 0.124 25.080 ( 1.499 0.000 1.432) 2.073 25.122 ( -0.062 0.000 0.092) 0.111 25.139 ( -0.100 0.000 0.493) 0.503 31.491 ( 0.282 0.000 -0.300) 0.412 31.496 ( -0.276 0.000 0.358) 0.452 31.509 ( 0.025 0.000 0.075) 0.079 31.529 ( -0.563 0.000 -0.231) 0.608 41.471 ( 1.208 0.000 -0.566) 1.334 41.669 ( -0.304 0.000 0.377) 0.484 41.942 ( -2.674 0.000 1.426) 3.031 42.223 ( 2.320 0.000 -4.857) 5.383 42.303 ( -8.531 0.000 8.053) 11.732 42.540 ( 2.328 0.000 1.409) 2.721 43.618 ( -19.783 0.000 -31.313) 37.039 44.653 ( -15.132 0.000 -29.149) 32.843 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -2.845 13.874 3.106) 14.499 0.805 ( -8.189 23.849 13.846) 28.768 1.166 ( -6.671 23.844 18.772) 31.071 1.746 ( -2.889 -4.462 4.607) 7.034 2.138 ( 3.249 -0.348 -5.487) 6.386 2.230 ( 0.112 0.367 -1.799) 1.840 2.271 ( 3.668 0.342 -6.280) 7.280 2.455 ( 0.227 -8.629 -4.298) 9.643 2.508 ( -4.005 -2.875 -0.114) 4.932 2.686 ( 8.203 5.387 5.568) 11.283 2.877 ( 5.682 0.629 -1.056) 5.813 2.971 ( 1.413 -0.664 0.582) 1.666 3.122 ( -3.397 -0.501 2.780) 4.418 3.165 ( 2.799 -1.502 4.268) 5.320 3.268 ( 1.033 8.451 2.845) 8.976 3.317 ( 3.350 -3.126 -0.139) 4.585 3.359 ( -0.530 -0.364 3.417) 3.477 3.470 ( -0.463 1.783 0.259) 1.860 3.567 ( 0.023 -3.237 2.041) 3.827 3.696 ( -1.867 -6.540 -0.359) 6.811 3.776 ( 0.431 -3.940 -2.549) 4.712 3.811 ( 4.623 -1.740 -2.249) 5.428 3.897 ( -5.897 -2.659 -0.268) 6.474 4.008 ( -2.883 0.829 -4.397) 5.323 4.029 ( -4.084 -0.303 -1.622) 4.405 4.082 ( 0.293 0.927 0.824) 1.274 4.213 ( -1.357 -4.328 1.485) 4.772 4.276 ( -3.527 -2.554 -1.061) 4.482 4.395 ( -0.887 -1.728 -0.114) 1.946 4.413 ( 3.845 0.805 -1.136) 4.089 4.481 ( 3.682 -2.602 0.805) 4.580 4.574 ( 2.320 5.927 -0.453) 6.381 4.651 ( -0.573 -4.920 -2.188) 5.415 4.847 ( -6.026 -0.960 -1.936) 6.402 4.882 ( 11.289 -1.636 -0.634) 11.425 4.977 ( -1.675 -2.616 2.925) 4.267 5.009 ( -2.336 -2.566 -0.588) 3.519 5.088 ( -3.018 -4.561 1.001) 5.560 5.237 ( -0.977 5.380 -6.461) 8.464 5.337 ( 6.792 3.082 -10.269) 12.692 5.463 ( 7.024 5.795 -1.060) 9.167 5.519 ( 1.056 3.803 -0.615) 3.994 5.593 ( -0.562 -0.127 8.069) 8.090 5.708 ( 1.674 -3.162 -2.930) 4.624 5.963 ( 0.964 4.867 -2.314) 5.474 6.143 ( -2.675 -0.450 16.736) 16.955 6.363 ( 1.177 12.239 2.119) 12.477 7.429 ( -6.279 -14.738 0.718) 16.036 19.697 ( 0.153 0.856 -0.328) 0.930 19.702 ( -0.017 0.871 -0.185) 0.890 19.762 ( -0.214 -0.496 -0.035) 0.541 19.766 ( -0.291 -0.474 0.027) 0.557 19.895 ( -0.244 -0.395 -0.148) 0.487 19.898 ( 0.431 -0.152 -0.063) 0.461 19.938 ( -0.269 0.317 0.335) 0.534 19.977 ( -0.310 -0.477 -0.200) 0.604 25.077 ( 0.086 -0.002 0.212) 0.229 25.103 ( 0.794 -1.464 0.866) 1.877 25.127 ( 0.430 -0.378 0.755) 0.948 25.136 ( -0.045 -0.264 0.478) 0.548 31.487 ( -0.144 -0.063 0.019) 0.158 31.502 ( -0.198 0.298 -0.129) 0.381 31.506 ( 0.084 -0.184 0.038) 0.206 31.518 ( -0.425 -0.222 -0.329) 0.582 41.684 ( -0.769 3.311 -0.834) 3.500 41.853 ( 8.946 2.483 -3.845) 10.049 41.935 ( 5.913 3.594 -3.115) 7.588 42.050 ( -12.540 -2.858 2.827) 13.168 42.327 ( 5.561 2.891 1.165) 6.375 42.569 ( 2.620 -2.573 3.946) 5.390 43.114 ( -30.684 48.448 -43.302) 71.860 44.139 ( -10.859 -4.795 -12.012) 16.888 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 17.144 2.816 3.223) 17.670 0.954 ( 16.324 16.773 7.605) 24.610 1.386 ( 22.776 17.466 8.169) 29.842 1.703 ( -1.726 -2.657 -0.678) 3.240 2.109 ( -3.148 4.343 1.258) 5.510 2.240 ( 1.330 -1.298 -4.667) 5.023 2.360 ( 3.664 4.302 -4.488) 7.215 2.484 ( 5.057 0.006 -2.520) 5.650 2.525 ( 5.947 -13.621 3.469) 15.262 2.911 ( 10.359 4.424 6.055) 12.789 2.942 ( -0.390 1.981 3.450) 3.998 2.997 ( 4.602 -0.208 2.262) 5.133 3.103 ( 1.827 1.178 -3.692) 4.284 3.209 ( -2.177 2.203 1.861) 3.614 3.291 ( 3.372 4.431 5.615) 7.908 3.374 ( 3.500 -2.751 1.096) 4.584 3.456 ( 1.143 -0.778 3.638) 3.891 3.513 ( 7.567 -3.084 -1.584) 8.323 3.575 ( 0.099 -1.672 5.789) 6.026 3.644 ( -2.356 -7.280 -2.113) 7.938 3.776 ( -0.361 1.450 -2.455) 2.874 3.804 ( 1.292 0.361 -4.198) 4.407 3.874 ( -6.523 -2.507 -4.418) 8.267 3.919 ( -4.556 0.610 1.260) 4.766 3.986 ( 3.361 -7.091 2.334) 8.187 4.043 ( -0.174 -1.502 -3.179) 3.520 4.160 ( -4.658 -3.247 -2.493) 6.201 4.237 ( 0.464 -1.021 0.124) 1.128 4.339 ( -2.502 2.950 -2.176) 4.438 4.490 ( 1.174 5.797 0.045) 5.915 4.546 ( 1.227 -3.046 -0.090) 3.285 4.646 ( 4.359 -5.638 0.608) 7.152 4.659 ( 2.681 -3.135 -2.747) 4.956 4.733 ( -4.874 -1.709 -1.142) 5.290 4.890 ( -5.777 -0.788 -4.347) 7.272 4.955 ( -0.343 -0.956 1.277) 1.632 5.067 ( 3.201 -1.204 0.958) 3.552 5.117 ( -0.248 -1.534 1.111) 1.910 5.209 ( 6.001 0.944 -3.462) 6.992 5.389 ( 2.257 4.257 -10.519) 11.570 5.469 ( -0.744 2.570 -1.426) 3.032 5.539 ( -6.833 -2.091 9.253) 11.691 5.657 ( 4.343 -1.692 0.667) 4.709 5.714 ( -0.629 -2.378 -0.534) 2.517 6.008 ( 3.589 3.634 -2.003) 5.486 6.086 ( -8.217 -0.126 17.452) 19.290 6.324 ( -5.473 12.066 3.344) 13.665 7.289 ( -5.331 -6.904 -3.363) 9.349 19.683 ( -0.774 0.279 0.126) 0.833 19.701 ( -0.057 0.635 -0.116) 0.648 19.753 ( -0.494 -0.657 -0.281) 0.869 19.759 ( -0.544 -0.505 -0.126) 0.753 19.894 ( 0.163 -0.162 -0.074) 0.241 19.907 ( 0.449 -0.055 0.104) 0.464 19.955 ( 1.637 0.533 0.175) 1.730 19.997 ( 1.971 -0.076 -0.638) 2.073 25.080 ( 0.162 0.057 0.202) 0.265 25.105 ( -0.345 -0.665 0.122) 0.759 25.128 ( -0.255 -0.100 0.150) 0.312 25.140 ( -0.253 -1.067 1.574) 1.918 31.482 ( -0.243 0.138 -0.165) 0.324 31.498 ( -0.171 0.028 -0.128) 0.215 31.505 ( -0.238 -0.148 -0.493) 0.568 31.509 ( -0.298 -0.199 0.045) 0.361 41.530 ( -8.521 3.738 -0.050) 9.305 41.842 ( -6.170 0.465 1.470) 6.360 41.933 ( 2.514 7.202 -2.588) 8.055 42.156 ( 5.761 -1.661 1.654) 6.220 42.444 ( 4.104 4.840 3.965) 7.483 42.648 ( 2.971 -1.630 7.769) 8.476 43.000 ( 28.606 30.938 -47.861) 63.766 43.924 ( -7.941 -3.424 -12.854) 15.492 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 18.418 -1.109 3.656) 18.810 1.321 ( 18.518 7.521 3.589) 20.307 1.648 ( 0.595 -6.253 -3.466) 7.175 1.980 ( 20.819 5.834 -0.662) 21.632 2.108 ( 9.961 11.455 1.476) 15.252 2.220 ( -2.237 0.194 -2.941) 3.700 2.403 ( 3.252 2.810 -1.775) 4.650 2.573 ( 3.225 -2.921 2.802) 5.175 2.748 ( 14.641 -4.105 0.345) 15.209 2.983 ( 3.843 1.806 -0.833) 4.327 3.035 ( 0.214 3.293 2.591) 4.196 3.089 ( 4.645 3.696 4.250) 7.301 3.146 ( -1.845 -0.757 3.651) 4.160 3.224 ( 6.836 -0.742 -5.642) 8.895 3.345 ( 1.121 2.304 2.494) 3.576 3.435 ( 1.019 -2.239 -1.642) 2.958 3.459 ( 0.502 -5.004 8.120) 9.551 3.543 ( -3.553 4.536 0.283) 5.769 3.588 ( -1.495 -6.224 0.141) 6.402 3.666 ( 1.220 -1.911 -1.759) 2.870 3.745 ( -1.638 -0.227 -0.638) 1.773 3.760 ( -0.455 -3.054 -0.434) 3.118 3.828 ( -2.539 -0.938 0.956) 2.871 3.923 ( 4.161 -2.072 -0.873) 4.730 4.024 ( 5.999 -0.527 0.508) 6.043 4.079 ( -1.865 -1.030 -2.099) 2.991 4.115 ( 2.887 -0.845 -2.120) 3.680 4.236 ( 1.436 -0.871 -2.717) 3.194 4.297 ( -1.673 0.093 -0.516) 1.753 4.463 ( -2.969 6.640 1.984) 7.540 4.547 ( -0.194 -5.400 -1.915) 5.733 4.658 ( -2.781 -1.676 -1.104) 3.429 4.696 ( 0.028 -2.506 -2.270) 3.382 4.726 ( 2.069 -8.037 2.318) 8.617 4.786 ( -0.451 -1.682 -2.917) 3.398 4.969 ( 0.702 -2.889 0.009) 2.973 5.064 ( -1.102 4.000 -3.291) 5.295 5.166 ( 6.518 2.367 0.577) 6.958 5.314 ( 0.263 2.847 -0.375) 2.883 5.361 ( -1.560 2.457 -0.325) 2.929 5.404 ( -6.584 0.484 6.335) 9.150 5.530 ( 6.399 0.688 -7.929) 10.212 5.658 ( -4.592 -1.190 2.589) 5.404 5.688 ( -1.727 -0.208 2.403) 2.966 5.949 ( -8.383 0.862 10.731) 13.645 6.070 ( 2.938 1.812 -2.082) 4.031 6.192 ( -8.340 9.295 5.751) 13.749 7.160 ( -8.267 -7.778 -3.788) 11.966 19.680 ( 0.338 -0.487 0.067) 0.596 19.699 ( -0.080 0.216 0.004) 0.230 19.744 ( -0.497 -0.670 -0.012) 0.835 19.750 ( 0.034 -0.427 -0.606) 0.742 19.902 ( 0.585 -0.088 -0.078) 0.597 19.918 ( 0.647 0.090 -0.069) 0.657 19.990 ( 1.744 0.741 0.216) 1.907 20.035 ( 1.870 0.497 -0.683) 2.052 25.084 ( 0.165 0.052 0.113) 0.207 25.098 ( -0.345 -0.298 0.034) 0.457 25.124 ( -0.210 0.061 0.011) 0.219 25.137 ( -0.365 -0.434 1.236) 1.360 31.479 ( 0.047 0.221 -0.360) 0.425 31.495 ( -0.187 -0.146 -0.152) 0.282 31.496 ( -0.138 0.051 -0.720) 0.735 31.508 ( -0.008 -0.018 0.117) 0.119 41.426 ( -2.892 -0.614 0.494) 2.997 41.721 ( -6.694 0.130 1.417) 6.844 41.974 ( 1.073 10.344 -2.767) 10.761 42.227 ( 3.576 0.296 0.564) 3.633 42.522 ( 0.897 3.715 5.606) 6.785 42.735 ( 3.283 -1.775 9.778) 10.466 43.461 ( 25.369 4.938 -34.779) 43.331 43.796 ( 0.272 -2.740 -13.710) 13.984 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 15.971 -0.454 4.196) 16.519 1.652 ( 7.492 -10.851 -0.168) 13.187 1.680 ( 8.628 11.865 -1.898) 14.793 2.037 ( -1.875 6.032 3.262) 7.109 2.170 ( 0.300 2.676 -2.136) 3.437 2.444 ( 6.437 0.830 -1.776) 6.729 2.545 ( 10.361 -3.159 -4.656) 11.790 2.615 ( 1.815 -3.179 1.489) 3.951 2.950 ( -4.260 2.939 -2.624) 5.803 3.087 ( 9.883 2.117 -1.704) 10.249 3.091 ( 2.709 -0.222 -1.147) 2.951 3.144 ( 3.023 -1.954 3.692) 5.156 3.152 ( 7.382 -2.477 0.395) 7.797 3.297 ( 3.144 -1.056 -1.779) 3.764 3.355 ( -4.619 4.791 0.625) 6.684 3.449 ( 3.270 -0.261 -2.591) 4.180 3.468 ( 0.946 -1.649 1.661) 2.524 3.504 ( 1.177 -1.537 6.090) 6.390 3.603 ( -1.623 -3.415 2.155) 4.352 3.613 ( -0.187 0.979 -2.557) 2.744 3.711 ( -1.374 0.136 1.017) 1.714 3.816 ( 2.442 0.767 2.515) 3.588 3.855 ( 4.358 -1.700 2.710) 5.407 3.940 ( 2.101 -0.782 -2.468) 3.334 4.044 ( -0.495 0.832 -2.244) 2.444 4.103 ( -2.828 -2.371 -0.814) 3.779 4.117 ( 0.229 0.023 -0.769) 0.803 4.252 ( -1.054 -0.474 0.029) 1.156 4.343 ( 2.676 -3.242 -0.035) 4.204 4.461 ( 5.124 4.863 -0.181) 7.066 4.544 ( 0.189 1.327 -2.097) 2.488 4.587 ( -3.402 -7.303 0.259) 8.060 4.676 ( 0.960 0.210 -0.512) 1.108 4.749 ( -0.081 -3.713 3.386) 5.026 4.823 ( 0.512 -3.641 -2.363) 4.371 4.970 ( -2.160 0.758 2.576) 3.446 5.099 ( 6.458 -1.646 -0.630) 6.695 5.205 ( -5.786 3.543 -0.581) 6.810 5.258 ( -4.359 1.067 2.378) 5.079 5.297 ( -5.383 4.633 1.452) 7.249 5.420 ( 9.141 2.925 -1.586) 9.728 5.511 ( -5.962 -0.222 2.851) 6.612 5.636 ( -0.409 0.179 2.872) 2.906 5.696 ( 5.001 -1.055 -4.729) 6.963 5.842 ( -4.358 5.215 -0.795) 6.842 6.066 ( -4.400 -2.624 7.543) 9.118 6.116 ( 1.445 6.041 -3.260) 7.015 6.921 ( -15.602 -6.931 -0.172) 17.073 19.693 ( 0.753 -0.340 0.197) 0.849 19.701 ( 0.357 -0.345 -0.156) 0.520 19.735 ( -0.351 -0.657 -0.014) 0.745 19.755 ( 0.548 -0.464 -0.537) 0.897 19.915 ( 0.730 -0.095 -0.011) 0.736 19.930 ( 0.626 -0.037 -0.267) 0.682 20.019 ( 1.049 0.882 0.202) 1.385 20.062 ( 1.069 0.872 -0.569) 1.492 25.087 ( 0.096 0.013 -0.040) 0.105 25.092 ( -0.235 -0.118 -0.101) 0.282 25.121 ( -0.043 0.119 0.094) 0.158 25.134 ( -0.264 -0.217 0.854) 0.920 31.483 ( 0.496 0.121 -0.311) 0.598 31.492 ( 0.113 -0.005 -0.598) 0.609 31.495 ( 0.014 0.105 -0.174) 0.204 31.508 ( -0.006 0.038 0.073) 0.082 41.400 ( 0.009 -3.256 0.507) 3.295 41.594 ( -6.316 -1.946 1.320) 6.739 41.958 ( -1.412 10.772 -1.250) 10.936 42.291 ( 0.903 -2.064 -0.863) 2.413 42.498 ( -2.552 5.981 3.809) 7.536 42.824 ( 2.496 -2.750 10.558) 11.192 43.768 ( 14.523 -0.031 -21.891) 26.271 43.867 ( 9.314 -1.988 -9.975) 13.791 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 10.990 0.434 4.657) 11.944 1.672 ( -2.101 -2.542 0.795) 3.392 1.784 ( -1.518 5.981 -2.118) 6.524 2.008 ( -0.892 6.347 3.235) 7.179 2.287 ( 10.687 2.478 -5.358) 12.209 2.528 ( 2.498 -3.395 -5.527) 6.951 2.561 ( -1.022 0.762 -1.200) 1.750 2.648 ( -2.184 -6.381 -1.966) 7.025 2.798 ( -8.491 -1.031 1.416) 8.670 3.045 ( -3.144 0.564 -3.294) 4.589 3.161 ( -1.592 -5.248 0.333) 5.495 3.206 ( -2.968 2.043 -4.622) 5.861 3.237 ( 4.700 1.370 3.303) 5.905 3.294 ( 1.201 -1.930 0.117) 2.276 3.411 ( 0.651 -2.618 -0.932) 2.854 3.469 ( 4.022 0.098 1.713) 4.373 3.504 ( -4.336 -0.852 -1.046) 4.541 3.583 ( 5.509 -0.904 -2.474) 6.107 3.629 ( 8.295 -3.210 3.686) 9.628 3.670 ( 3.395 -1.989 1.003) 4.060 3.762 ( 4.488 1.640 6.139) 7.780 3.843 ( -0.469 1.711 -0.335) 1.805 3.912 ( 1.614 -0.437 -0.860) 1.880 3.998 ( -5.066 -3.882 2.176) 6.743 4.034 ( 2.582 0.268 -1.782) 3.149 4.047 ( 1.971 3.478 -2.898) 4.937 4.152 ( 4.788 0.047 0.956) 4.883 4.254 ( 1.231 0.627 0.165) 1.391 4.357 ( 2.843 -1.011 -1.965) 3.601 4.481 ( -4.318 -1.806 1.988) 5.085 4.558 ( -2.845 -5.675 -0.101) 6.349 4.607 ( 7.534 2.155 0.360) 7.845 4.707 ( -0.005 1.914 3.975) 4.412 4.756 ( 0.381 0.990 2.863) 3.054 4.795 ( -0.869 0.560 -2.584) 2.783 4.877 ( -7.163 4.654 -0.926) 8.592 5.026 ( -10.289 4.585 1.465) 11.359 5.126 ( -5.449 1.126 6.454) 8.521 5.172 ( -2.917 1.007 -0.332) 3.104 5.305 ( 3.114 0.120 3.419) 4.626 5.493 ( 4.283 -0.372 -4.724) 6.388 5.543 ( -0.535 4.717 3.317) 5.791 5.701 ( 0.991 -3.730 -6.258) 7.352 5.734 ( 5.950 -2.198 0.043) 6.344 5.837 ( 6.921 1.828 -1.282) 7.272 6.043 ( 0.323 -2.192 1.340) 2.590 6.137 ( 1.971 2.387 -3.332) 4.548 6.564 ( -20.374 -4.227 2.683) 20.980 19.701 ( 0.075 0.521 0.134) 0.543 19.713 ( 0.735 -0.887 -0.175) 1.165 19.730 ( -0.246 -1.212 0.113) 1.242 19.764 ( 0.448 -0.374 -0.392) 0.703 19.925 ( 0.206 0.139 0.124) 0.278 19.943 ( 0.834 -0.617 -0.203) 1.057 20.032 ( 0.172 1.197 0.066) 1.211 20.073 ( 0.293 1.002 -0.484) 1.150 25.087 ( -0.043 -0.016 -0.171) 0.177 25.088 ( -0.157 -0.016 -0.225) 0.275 25.122 ( 0.109 0.087 0.266) 0.301 25.131 ( -0.215 -0.125 0.587) 0.638 31.492 ( 0.365 -0.071 -0.124) 0.392 31.493 ( -0.104 -0.048 -0.027) 0.117 31.499 ( 0.584 0.241 -0.305) 0.701 31.509 ( 0.182 0.191 -0.032) 0.265 41.431 ( 2.968 -4.335 0.771) 5.310 41.490 ( -4.535 -3.040 1.327) 5.619 41.935 ( -0.336 9.418 -0.348) 9.431 42.228 ( -4.852 -0.765 -0.195) 4.916 42.508 ( 1.687 5.675 0.100) 5.921 42.873 ( -0.983 -3.093 10.294) 10.794 43.892 ( 4.454 0.708 -16.427) 17.035 44.077 ( 12.463 -2.988 -2.747) 13.107 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -13.761 1.809 2.472) 14.098 1.670 ( 0.795 -1.723 4.538) 4.918 1.779 ( 4.316 6.710 -3.822) 8.846 2.027 ( 0.852 5.006 3.498) 6.167 2.336 ( -11.136 3.346 -2.698) 11.937 2.421 ( -5.023 -7.708 -8.144) 12.287 2.515 ( -1.874 2.754 -4.142) 5.315 2.652 ( 1.588 -5.095 -1.064) 5.442 2.763 ( 4.784 -0.072 -5.494) 7.285 2.978 ( -2.878 -0.087 -1.952) 3.478 3.089 ( -3.646 -2.709 0.100) 4.543 3.110 ( -2.803 3.317 -4.571) 6.305 3.279 ( -2.030 -0.265 4.620) 5.053 3.372 ( 4.744 2.591 3.313) 6.339 3.404 ( -1.992 -1.642 -1.818) 3.157 3.472 ( 1.516 -6.069 1.556) 6.446 3.577 ( 5.585 -1.126 1.390) 5.865 3.645 ( -1.631 -4.805 -2.205) 5.532 3.659 ( 0.854 0.912 -2.069) 2.417 3.748 ( -2.282 -3.785 2.912) 5.293 3.812 ( -4.388 1.299 -0.090) 4.577 3.862 ( 2.101 -0.913 5.697) 6.140 3.891 ( 1.335 -0.732 1.006) 1.825 3.953 ( -1.291 -3.418 4.648) 5.913 4.007 ( -1.264 -1.746 2.885) 3.602 4.049 ( -1.013 2.654 -2.994) 4.127 4.229 ( 2.109 0.329 0.615) 2.221 4.305 ( -14.996 0.513 8.062) 17.034 4.386 ( 8.033 -3.285 -4.771) 9.904 4.434 ( 4.189 1.498 -4.847) 6.579 4.510 ( 0.362 2.491 -1.880) 3.142 4.655 ( -5.612 1.067 1.929) 6.029 4.691 ( -1.116 -0.293 4.313) 4.465 4.745 ( -0.113 -3.506 -1.952) 4.015 4.757 ( -0.240 4.430 -0.143) 4.438 4.880 ( -4.020 2.185 0.780) 4.642 4.927 ( 9.109 9.483 1.840) 13.277 5.081 ( 0.621 1.082 0.345) 1.295 5.173 ( 5.098 4.066 -1.030) 6.601 5.355 ( 2.160 -0.981 1.185) 2.652 5.499 ( -3.606 4.130 1.304) 5.635 5.536 ( -0.882 -2.467 -0.204) 2.628 5.673 ( -1.103 0.867 0.032) 1.403 5.756 ( -2.303 0.108 -0.256) 2.320 5.994 ( -1.315 -3.339 1.881) 4.052 6.054 ( -4.775 -5.617 -0.267) 7.377 6.224 ( -9.043 1.905 0.244) 9.245 6.281 ( 19.557 -3.314 -7.260) 21.123 19.697 ( -0.487 0.310 0.017) 0.578 19.720 ( -0.191 -1.034 -0.047) 1.052 19.728 ( 0.194 -1.230 0.097) 1.249 19.769 ( 0.097 -0.275 -0.210) 0.359 19.925 ( -0.223 0.536 0.069) 0.584 19.958 ( 0.460 -0.953 0.376) 1.122 20.026 ( -0.712 1.473 -0.173) 1.645 20.074 ( -0.079 0.871 -0.477) 0.996 25.082 ( -0.230 0.048 -0.353) 0.424 25.086 ( -0.087 -0.029 -0.183) 0.204 25.126 ( 0.181 0.005 0.424) 0.461 25.129 ( -0.182 -0.051 0.401) 0.444 31.489 ( -0.205 0.003 -0.139) 0.248 31.497 ( 0.147 -0.092 0.120) 0.211 31.506 ( 0.174 0.265 -0.083) 0.327 31.520 ( 0.763 0.135 0.239) 0.811 41.429 ( -2.080 -2.560 1.384) 3.577 41.518 ( 5.307 -4.308 1.416) 6.980 41.944 ( 1.000 7.555 0.682) 7.651 42.171 ( -0.004 1.683 -2.304) 2.853 42.519 ( -0.879 3.860 -0.711) 4.022 42.835 ( -5.689 -3.197 9.012) 11.126 43.884 ( -0.423 3.176 -11.564) 12.000 44.298 ( 10.003 -5.712 0.193) 11.521 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -17.648 4.247 1.863) 18.247 1.673 ( -0.966 -6.060 3.650) 7.140 1.818 ( -7.591 9.223 3.603) 12.477 1.930 ( -8.518 5.366 1.921) 10.249 2.167 ( 2.007 -1.703 -4.882) 5.547 2.278 ( -7.200 -4.727 -9.195) 12.599 2.480 ( -0.581 4.782 -6.494) 8.086 2.681 ( 2.112 -2.417 -1.266) 3.450 2.763 ( -3.336 -1.148 -8.685) 9.374 2.914 ( -2.749 -0.476 -4.198) 5.040 3.032 ( -2.496 1.401 -0.962) 3.020 3.116 ( -1.268 4.868 2.524) 5.628 3.166 ( -14.855 -0.942 4.199) 15.465 3.331 ( -4.724 1.679 0.260) 5.021 3.414 ( 0.210 -1.438 -2.193) 2.631 3.504 ( -9.834 0.238 8.886) 13.256 3.537 ( -7.523 -2.343 -0.111) 7.880 3.582 ( 4.658 -1.401 3.169) 5.806 3.627 ( -3.474 -0.586 2.797) 4.498 3.685 ( 0.435 1.161 -3.440) 3.657 3.744 ( -0.786 -4.263 -0.237) 4.341 3.888 ( 2.867 3.834 4.563) 6.614 3.912 ( -4.809 -1.199 5.314) 7.266 3.971 ( -0.184 -5.118 4.595) 6.881 4.019 ( 5.343 -5.474 -2.255) 7.975 4.068 ( 1.349 -0.587 2.759) 3.126 4.146 ( -2.479 0.855 2.236) 3.446 4.260 ( 0.328 -1.725 -0.226) 1.771 4.380 ( -2.462 -0.612 0.167) 2.542 4.472 ( -3.988 0.444 -3.803) 5.529 4.533 ( -0.885 4.232 1.276) 4.508 4.587 ( 4.785 3.425 -9.155) 10.883 4.662 ( -1.390 -5.819 -2.260) 6.396 4.754 ( 0.033 1.460 0.515) 1.549 4.807 ( 5.369 -2.579 -1.052) 6.049 4.867 ( 1.407 1.955 2.492) 3.466 5.039 ( 3.304 5.892 1.814) 6.994 5.140 ( 2.548 -2.880 -3.174) 4.986 5.308 ( 2.465 -1.891 -0.883) 3.230 5.401 ( -0.493 0.739 0.512) 1.025 5.456 ( 2.940 5.182 3.330) 6.825 5.505 ( -0.175 5.180 1.715) 5.459 5.585 ( -8.163 -1.547 4.345) 9.376 5.712 ( -1.129 3.789 -2.466) 4.660 5.828 ( -6.108 0.654 0.929) 6.212 6.029 ( 1.123 -0.918 2.842) 3.191 6.166 ( -1.548 1.358 -1.159) 2.363 6.703 ( 22.955 -10.209 -7.697) 26.275 19.686 ( -0.518 -0.033 0.068) 0.524 19.711 ( -0.536 -1.606 0.053) 1.694 19.733 ( 0.307 -0.591 -0.123) 0.677 19.768 ( -0.098 -0.205 -0.057) 0.234 19.918 ( -0.536 0.898 0.089) 1.050 19.959 ( -0.508 -0.815 0.838) 1.274 20.006 ( -1.170 1.315 -0.359) 1.797 20.066 ( -0.705 0.640 -0.487) 1.070 25.077 ( -0.249 0.097 -0.383) 0.467 25.083 ( -0.153 -0.039 -0.134) 0.207 25.127 ( -0.145 0.022 0.271) 0.309 25.131 ( 0.172 -0.081 0.527) 0.561 31.485 ( -0.109 -0.013 -0.212) 0.239 31.500 ( 0.088 -0.168 0.124) 0.226 31.508 ( 0.047 0.466 0.152) 0.493 31.534 ( 0.421 -0.034 0.460) 0.625 41.416 ( 0.376 -0.954 1.440) 1.768 41.632 ( 5.476 -2.446 1.894) 6.290 41.972 ( 1.373 5.760 1.243) 6.050 42.204 ( 3.405 2.999 -4.290) 6.244 42.474 ( -3.001 1.953 -0.746) 3.657 42.707 ( -9.324 -3.033 6.850) 11.961 43.838 ( -0.528 4.891 -9.418) 10.626 44.465 ( 6.792 -9.418 0.960) 11.651 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -17.411 6.302 2.778) 18.723 1.435 ( -23.272 10.459 9.149) 27.105 1.660 ( -2.996 -7.944 3.334) 9.121 1.952 ( 3.485 1.384 -1.394) 4.000 2.144 ( -2.687 0.329 -7.429) 7.907 2.230 ( 3.986 -1.299 -7.190) 8.323 2.448 ( -1.173 5.353 -4.977) 7.403 2.555 ( -35.492 10.507 13.016) 39.236 2.665 ( -4.329 -3.974 -4.269) 7.263 2.724 ( 0.957 -2.290 1.093) 2.712 2.830 ( -4.165 1.743 -9.631) 10.637 2.978 ( -5.335 3.348 -2.652) 6.834 3.119 ( 0.356 4.939 1.394) 5.144 3.250 ( -5.330 1.424 4.363) 7.034 3.346 ( -5.417 3.192 1.460) 6.455 3.400 ( -3.518 -2.612 0.761) 4.447 3.478 ( -2.459 -4.215 -0.307) 4.890 3.512 ( -3.719 1.637 2.851) 4.964 3.663 ( -0.156 -0.745 -0.395) 0.857 3.736 ( -0.254 -4.232 1.915) 4.652 3.768 ( 1.591 -4.533 -1.749) 5.113 3.812 ( 1.696 -2.902 -0.193) 3.367 3.940 ( -5.561 -1.370 2.658) 6.314 3.995 ( 2.474 -1.331 4.664) 5.445 4.056 ( 2.600 -3.256 0.240) 4.174 4.118 ( -1.354 -4.399 4.973) 6.776 4.155 ( 5.227 0.151 0.559) 5.259 4.256 ( 0.586 2.462 -1.706) 3.052 4.302 ( -5.572 -0.957 2.132) 6.043 4.404 ( 0.486 3.142 -4.698) 5.673 4.537 ( 0.009 4.873 -0.360) 4.886 4.608 ( -1.410 -6.854 -0.500) 7.015 4.666 ( 0.971 -5.627 -2.842) 6.378 4.787 ( 2.855 3.178 -7.231) 8.399 4.893 ( 4.177 2.953 1.770) 5.414 4.933 ( 5.262 0.865 -3.697) 6.488 5.053 ( -6.113 -5.220 -1.254) 8.135 5.119 ( 3.497 5.101 -3.921) 7.323 5.267 ( -5.823 -3.308 3.030) 7.351 5.364 ( -4.898 -2.790 0.060) 5.637 5.457 ( -2.217 -0.380 -0.082) 2.251 5.520 ( 4.952 0.986 4.773) 6.948 5.566 ( -1.212 6.348 6.861) 9.425 5.645 ( -4.388 3.315 -0.774) 5.554 5.888 ( 9.332 11.921 -4.116) 15.689 6.085 ( 1.482 -1.101 -0.803) 2.013 6.142 ( 1.459 2.035 6.485) 6.951 7.101 ( 19.033 -14.195 -5.021) 24.269 19.679 ( -0.190 -0.368 0.133) 0.435 19.703 ( -0.187 -0.555 -0.072) 0.590 19.741 ( 0.577 -0.752 -0.175) 0.964 19.767 ( 0.095 -0.200 0.035) 0.224 19.904 ( -0.793 0.803 0.048) 1.130 19.944 ( -1.284 -0.736 0.789) 1.677 19.980 ( -1.321 1.049 -0.221) 1.701 20.042 ( -1.545 0.322 -0.471) 1.647 25.072 ( -0.122 0.123 -0.123) 0.212 25.080 ( -0.133 -0.029 -0.039) 0.141 25.125 ( -0.108 0.084 0.175) 0.223 25.135 ( 0.078 -0.148 0.545) 0.570 31.484 ( 0.071 -0.080 -0.169) 0.200 31.502 ( 0.095 -0.190 0.090) 0.231 31.509 ( -0.076 0.495 0.232) 0.552 31.537 ( -0.168 -0.090 0.258) 0.321 41.451 ( 2.763 1.598 1.507) 3.529 41.727 ( 3.436 0.959 1.016) 3.709 41.990 ( -0.303 4.574 1.058) 4.704 42.242 ( 1.390 3.183 -5.388) 6.411 42.414 ( -4.134 -0.274 3.582) 5.477 42.541 ( -7.007 -2.491 1.967) 7.692 43.820 ( 1.106 5.193 -11.772) 12.914 44.556 ( 2.004 -14.244 -3.387) 14.778 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -15.344 9.420 3.409) 18.325 1.045 ( -18.324 18.202 12.906) 28.873 1.503 ( -20.212 0.632 8.816) 22.060 1.853 ( -14.373 6.696 8.972) 18.219 2.076 ( 0.744 -0.726 -1.175) 1.569 2.206 ( 2.402 3.254 0.055) 4.045 2.259 ( 1.245 0.577 -9.421) 9.520 2.434 ( 0.957 -0.103 -1.106) 1.466 2.609 ( -3.284 -7.702 0.338) 8.380 2.663 ( -4.904 3.653 -6.133) 8.661 2.793 ( 2.561 0.719 -1.207) 2.921 2.904 ( 1.050 3.882 -2.813) 4.908 3.132 ( 0.275 2.858 1.508) 3.243 3.183 ( -2.927 -0.001 5.968) 6.648 3.271 ( -4.417 4.424 3.848) 7.341 3.304 ( -1.762 0.497 -1.770) 2.547 3.412 ( -3.470 -2.176 -0.204) 4.101 3.506 ( -1.351 1.787 1.810) 2.880 3.597 ( -5.561 -4.105 0.712) 6.948 3.685 ( 2.274 -6.473 -0.544) 6.882 3.787 ( -0.965 -2.783 -0.195) 2.952 3.808 ( -3.175 -1.665 -3.139) 4.765 3.964 ( 5.469 -1.096 -0.693) 5.620 4.014 ( -3.259 -2.636 2.346) 4.804 4.052 ( -0.385 -2.567 2.714) 3.756 4.151 ( -2.569 0.886 -0.647) 2.793 4.189 ( 0.950 -4.763 3.480) 5.975 4.276 ( 2.980 3.333 -0.120) 4.473 4.293 ( 3.273 -1.439 1.455) 3.860 4.433 ( 2.725 -0.006 -3.125) 4.147 4.507 ( -4.666 -3.551 -2.465) 6.361 4.555 ( -0.384 8.675 -1.240) 8.772 4.662 ( -0.306 -7.588 -1.345) 7.712 4.785 ( -0.461 1.012 -3.152) 3.343 4.955 ( -3.794 -7.430 1.539) 8.483 4.964 ( 1.720 -1.950 -0.546) 2.656 5.056 ( 3.271 7.364 -0.997) 8.119 5.100 ( 0.605 0.622 -10.561) 10.596 5.218 ( 1.552 0.076 -0.063) 1.555 5.268 ( -3.898 2.683 1.472) 4.955 5.434 ( -0.990 2.900 -1.009) 3.227 5.536 ( -1.097 2.568 0.459) 2.830 5.568 ( -0.688 2.908 4.684) 5.556 5.656 ( 4.237 -2.109 -1.132) 4.867 5.980 ( -0.488 8.535 -1.972) 8.773 6.104 ( 2.112 0.346 9.004) 9.255 6.270 ( 6.714 7.871 3.666) 10.976 7.392 ( 10.251 -18.443 -1.273) 21.138 19.683 ( 0.617 0.216 0.098) 0.661 19.703 ( 0.041 0.619 -0.203) 0.653 19.755 ( 0.744 -0.681 -0.124) 1.016 19.770 ( 0.065 -0.315 0.008) 0.322 19.892 ( -0.251 0.187 -0.100) 0.328 19.916 ( -1.518 -0.868 0.311) 1.776 19.955 ( -1.187 0.714 0.095) 1.388 20.005 ( -1.941 -0.152 -0.383) 1.985 25.074 ( 0.252 -0.103 0.470) 0.543 25.080 ( 0.410 -0.064 0.438) 0.603 25.123 ( -0.053 0.123 0.135) 0.190 25.137 ( -0.077 -0.168 0.464) 0.499 31.486 ( 0.127 -0.152 -0.027) 0.200 31.504 ( 0.068 -0.038 0.054) 0.095 31.507 ( -0.186 0.281 0.090) 0.349 31.529 ( -0.570 -0.043 -0.222) 0.613 41.545 ( 7.216 4.923 0.731) 8.766 41.773 ( 1.593 4.423 -0.936) 4.794 41.959 ( -2.610 3.436 -0.354) 4.329 42.233 ( -3.094 -0.582 -2.702) 4.149 42.291 ( -5.341 0.655 4.185) 6.816 42.514 ( 1.992 -2.461 1.091) 3.349 43.729 ( -9.954 9.032 -24.801) 28.209 44.448 ( -12.140 -14.820 -15.556) 24.678 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -3.026 20.791 -1.264) 21.048 1.120 ( -4.066 -17.578 3.066) 18.301 1.335 ( -1.244 26.131 6.409) 26.934 1.841 ( 1.957 -20.581 -0.101) 20.674 2.072 ( -2.916 15.810 4.794) 16.776 2.245 ( -0.874 -2.408 2.553) 3.617 2.344 ( -3.132 4.685 -9.297) 10.872 2.418 ( -3.273 5.236 5.598) 8.334 2.480 ( 5.461 6.822 -0.597) 8.759 2.831 ( 6.083 5.570 -0.035) 8.248 2.874 ( 0.524 -8.209 2.316) 8.545 2.900 ( 4.737 -8.550 -1.429) 9.878 3.069 ( 1.005 4.201 0.637) 4.366 3.194 ( 3.124 -5.660 -1.884) 6.734 3.225 ( -0.080 3.794 4.535) 5.913 3.330 ( 0.805 -4.801 2.912) 5.673 3.418 ( 0.024 3.730 0.760) 3.807 3.483 ( -1.093 -3.539 2.149) 4.282 3.523 ( 0.432 1.682 -1.697) 2.428 3.564 ( 0.505 -1.812 -1.252) 2.259 3.700 ( 0.215 -1.427 2.534) 2.916 3.753 ( 0.144 -4.348 -1.195) 4.511 3.937 ( -2.874 6.497 -3.866) 8.088 4.040 ( -10.272 1.950 -2.930) 10.858 4.063 ( -0.033 -0.440 -3.651) 3.677 4.100 ( -1.459 -1.854 -2.494) 3.433 4.145 ( -5.354 1.515 -0.338) 5.575 4.216 ( 1.302 -0.226 2.872) 3.161 4.290 ( 4.521 -6.832 2.189) 8.480 4.303 ( 1.797 -9.734 2.829) 10.295 4.479 ( 2.601 3.586 -2.943) 5.318 4.553 ( 2.808 -3.729 -2.541) 5.315 4.717 ( -0.067 5.973 -6.166) 8.585 4.810 ( -2.708 -3.057 -7.059) 8.155 4.872 ( 5.527 1.170 0.426) 5.666 4.921 ( 1.056 -2.986 3.090) 4.425 4.974 ( -3.418 0.413 -0.660) 3.506 5.008 ( -2.260 -2.567 0.589) 3.470 5.396 ( -2.583 7.657 1.370) 8.197 5.452 ( 4.481 6.524 -7.803) 11.115 5.511 ( -1.471 -1.666 4.244) 4.790 5.564 ( 4.841 -0.103 -1.355) 5.028 5.600 ( -1.218 -0.188 4.471) 4.637 5.626 ( 0.046 -3.024 1.053) 3.202 5.997 ( -1.227 1.436 4.623) 4.994 6.066 ( -2.792 -4.841 14.512) 15.551 6.736 ( 2.739 19.793 -3.152) 20.229 7.114 ( 1.364 -16.721 -2.541) 16.968 19.720 ( 0.069 1.302 -0.105) 1.308 19.724 ( -0.310 1.145 -0.228) 1.208 19.747 ( 0.038 -0.996 -0.028) 0.997 19.748 ( -0.283 -1.169 0.025) 1.203 19.891 ( 0.126 0.002 -0.092) 0.156 19.893 ( 0.340 -0.235 -0.009) 0.413 19.949 ( -0.298 0.668 -0.053) 0.734 19.964 ( -0.324 -0.731 -0.202) 0.825 25.078 ( 0.177 0.152 0.316) 0.393 25.084 ( 0.354 -0.487 0.590) 0.844 25.127 ( -0.020 0.159 0.290) 0.331 25.131 ( -0.132 -0.226 0.297) 0.395 31.488 ( -0.001 0.243 0.059) 0.250 31.496 ( -0.007 -0.446 0.076) 0.453 31.511 ( -0.307 0.301 -0.329) 0.541 31.515 ( -0.505 -0.124 -0.506) 0.726 41.765 ( 0.437 4.109 -0.276) 4.141 41.836 ( 2.565 -2.516 -0.868) 3.696 41.980 ( -0.086 1.293 -0.578) 1.419 42.007 ( -6.097 -1.563 1.260) 6.418 42.402 ( 4.765 4.322 2.284) 6.827 42.495 ( 3.675 -4.381 3.346) 6.625 43.740 ( -9.233 17.964 -27.489) 34.111 43.999 ( -7.350 -8.970 -15.841) 19.632 ======================= Grid point 64 (35/96) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 7.296 16.180 -2.592) 17.938 1.074 ( 1.640 -12.602 0.963) 12.745 1.520 ( 14.777 17.153 1.234) 22.674 1.903 ( 3.923 -11.903 -1.422) 12.613 2.124 ( 5.961 10.406 6.747) 13.760 2.275 ( 1.073 -5.435 -0.903) 5.613 2.292 ( 1.831 7.472 -3.455) 8.433 2.435 ( 4.317 -3.941 1.140) 5.955 2.595 ( 6.933 13.873 2.400) 15.693 2.905 ( 2.790 -9.861 3.099) 10.706 3.003 ( 8.441 3.241 4.684) 10.183 3.049 ( 7.525 1.806 -4.489) 8.947 3.071 ( 2.576 2.888 1.187) 4.048 3.237 ( 1.219 -8.235 -1.402) 8.442 3.276 ( 2.384 4.126 4.630) 6.644 3.392 ( 2.334 -7.138 3.499) 8.285 3.420 ( 0.016 4.331 1.166) 4.485 3.493 ( 1.890 -0.715 2.621) 3.310 3.514 ( -1.198 2.183 -2.529) 3.549 3.588 ( 1.460 -1.553 -0.272) 2.149 3.726 ( 0.840 -3.283 2.861) 4.435 3.752 ( -2.268 -4.196 -4.456) 6.527 3.849 ( -5.101 -0.157 -2.390) 5.635 3.884 ( 0.441 -3.294 1.093) 3.498 3.964 ( -2.307 4.161 -0.705) 4.809 4.066 ( -1.446 -3.347 -3.601) 5.125 4.083 ( -2.456 4.608 -3.411) 6.238 4.268 ( -2.173 -5.222 1.914) 5.971 4.297 ( -0.123 -1.185 -2.098) 2.412 4.391 ( 2.895 -6.034 2.639) 7.194 4.518 ( 2.463 2.603 -2.969) 4.654 4.588 ( 2.194 -3.362 -2.391) 4.673 4.684 ( -1.771 3.856 -3.077) 5.241 4.726 ( -3.076 -0.354 -3.364) 4.572 4.881 ( -3.015 0.955 -3.528) 4.739 4.917 ( -1.061 -2.251 -1.037) 2.696 5.051 ( 6.602 0.242 0.666) 6.640 5.081 ( 10.194 -2.405 1.179) 10.540 5.323 ( -3.844 7.244 0.438) 8.212 5.442 ( -6.226 -3.273 4.111) 8.147 5.508 ( 2.050 4.377 -4.885) 6.872 5.557 ( -3.557 2.199 3.850) 5.684 5.624 ( 0.468 -1.506 0.853) 1.793 5.655 ( 3.180 -2.923 -1.778) 4.671 6.007 ( -0.187 -0.322 4.786) 4.800 6.036 ( -4.811 -3.021 14.010) 15.118 6.699 ( -5.171 19.680 -1.430) 20.398 7.061 ( -5.095 -14.936 -2.333) 15.953 19.699 ( -1.400 1.071 0.108) 1.766 19.713 ( -0.832 0.223 -0.043) 0.862 19.737 ( -0.440 -0.553 -0.223) 0.741 19.744 ( -0.349 -0.802 -0.161) 0.889 19.895 ( 0.292 0.207 0.066) 0.364 19.901 ( 0.428 -0.371 0.164) 0.590 19.971 ( 2.183 0.923 -0.333) 2.393 19.988 ( 2.397 -0.711 -0.589) 2.569 25.083 ( 0.170 0.225 0.293) 0.407 25.091 ( 0.083 -0.560 0.445) 0.720 25.127 ( -0.093 0.036 0.297) 0.313 25.130 ( -0.097 -0.214 0.468) 0.523 31.487 ( -0.129 0.332 -0.031) 0.358 31.494 ( -0.157 -0.335 -0.016) 0.370 31.505 ( -0.292 0.068 -0.786) 0.841 31.506 ( -0.146 -0.097 -0.307) 0.353 41.641 ( -8.874 6.413 0.737) 10.974 41.770 ( -6.820 -5.597 1.257) 8.912 42.035 ( 6.376 3.673 -1.849) 7.587 42.105 ( 8.393 -3.094 -1.290) 9.038 42.531 ( 5.664 3.790 6.488) 9.409 42.601 ( 4.748 -2.954 7.463) 9.326 43.537 ( 0.041 18.833 -32.174) 37.281 43.806 ( -6.181 -8.598 -18.996) 21.748 ======================= Grid point 65 (36/96) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 15.135 8.789 -1.343) 17.554 1.203 ( 10.609 -12.746 -1.453) 16.647 1.788 ( 10.753 13.275 -0.198) 17.085 2.001 ( 6.282 -5.097 -0.645) 8.116 2.245 ( 1.128 2.245 0.358) 2.539 2.309 ( 6.243 -0.853 2.080) 6.636 2.382 ( 5.749 4.925 -0.126) 7.572 2.513 ( 2.318 -4.612 -0.370) 5.175 2.823 ( 14.660 10.047 1.935) 17.878 2.987 ( 2.962 -4.952 2.876) 6.447 3.065 ( 3.827 6.455 0.457) 7.518 3.174 ( 2.695 3.599 0.043) 4.496 3.203 ( 4.608 -2.701 -4.263) 6.834 3.239 ( -2.565 2.808 -0.553) 3.843 3.303 ( 3.022 -1.802 0.561) 3.563 3.392 ( -2.265 -1.928 4.716) 5.575 3.413 ( 0.100 1.668 -1.193) 2.053 3.480 ( 0.127 -3.569 -2.885) 4.591 3.575 ( 0.502 -3.802 -1.167) 4.008 3.600 ( 6.322 -3.613 0.502) 7.299 3.731 ( 1.752 0.246 5.026) 5.328 3.760 ( 3.049 -3.180 3.311) 5.511 3.827 ( -1.122 6.496 -0.678) 6.627 3.913 ( -4.167 3.551 0.698) 5.519 3.965 ( 4.143 -5.739 0.497) 7.096 4.038 ( 0.752 -2.128 -1.196) 2.554 4.070 ( 2.652 -1.625 -1.484) 3.446 4.142 ( -7.068 -11.421 1.813) 13.553 4.310 ( 1.430 6.087 -2.479) 6.726 4.428 ( 0.784 -4.110 -1.042) 4.312 4.556 ( 1.817 2.227 -4.519) 5.356 4.624 ( 1.764 -3.600 -5.226) 6.586 4.651 ( -0.774 1.511 1.538) 2.291 4.676 ( -1.637 0.241 0.099) 1.657 4.816 ( -1.545 3.296 -2.851) 4.623 4.897 ( -0.287 -4.082 -1.353) 4.310 5.177 ( -0.076 5.474 -0.649) 5.513 5.228 ( 6.882 2.178 2.846) 7.759 5.316 ( -4.827 -0.952 3.770) 6.198 5.347 ( 5.505 -1.865 0.602) 5.843 5.473 ( -4.297 2.621 1.047) 5.141 5.519 ( -0.813 -2.188 -1.201) 2.625 5.646 ( 0.996 1.163 -2.522) 2.950 5.679 ( -0.662 -1.029 -0.096) 1.228 5.939 ( -6.480 1.276 9.414) 11.500 6.004 ( -1.977 -4.355 3.082) 5.690 6.558 ( -8.313 19.551 0.523) 21.252 6.922 ( -8.698 -15.184 -0.858) 17.520 19.681 ( -0.364 0.634 0.391) 0.829 19.698 ( -0.565 -0.583 0.257) 0.852 19.732 ( -0.118 -0.154 -0.229) 0.301 19.738 ( -0.003 -0.579 -0.545) 0.795 19.904 ( 0.602 0.309 -0.032) 0.678 19.912 ( 0.617 -0.449 0.019) 0.763 20.015 ( 2.135 1.294 -0.358) 2.522 20.035 ( 2.261 -0.536 -0.684) 2.422 25.086 ( 0.100 0.168 0.125) 0.232 25.091 ( -0.071 -0.311 0.125) 0.343 25.126 ( -0.126 0.135 0.236) 0.300 25.130 ( -0.108 -0.277 0.628) 0.694 31.485 ( -0.017 0.313 -0.327) 0.453 31.491 ( -0.121 -0.268 -0.323) 0.437 31.500 ( 0.019 0.260 -0.562) 0.620 31.505 ( 0.059 -0.238 -0.130) 0.278 41.493 ( -6.279 5.996 1.344) 8.786 41.632 ( -7.325 -6.703 1.822) 10.094 42.151 ( 4.482 5.888 -2.329) 7.758 42.226 ( 4.004 -1.438 -1.219) 4.425 42.612 ( 0.486 4.453 7.324) 8.585 42.687 ( 1.646 -2.868 8.906) 9.500 43.588 ( 11.953 6.691 -25.966) 29.357 43.713 ( 3.310 -5.237 -17.875) 18.918 ======================= Grid point 66 (37/96) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 15.725 4.975 0.555) 16.503 1.433 ( 11.780 -9.688 -0.718) 15.269 1.936 ( 4.533 11.105 -1.449) 12.081 2.085 ( 1.213 -2.510 -0.020) 2.788 2.288 ( 5.092 8.234 0.758) 9.711 2.424 ( 3.171 -1.866 -1.513) 3.978 2.477 ( 4.414 -3.049 0.405) 5.380 2.530 ( -0.228 -5.098 1.814) 5.416 2.984 ( -1.169 0.974 -3.417) 3.741 3.021 ( -0.058 -2.903 0.813) 3.015 3.094 ( -5.446 -0.249 -2.801) 6.129 3.112 ( -1.247 -0.776 -2.475) 2.878 3.221 ( 0.922 4.275 -2.151) 4.874 3.323 ( 9.655 0.347 1.141) 9.728 3.365 ( -0.055 -2.459 2.513) 3.517 3.403 ( 2.988 -1.854 1.899) 3.996 3.444 ( 4.088 2.668 -4.565) 6.684 3.516 ( 4.663 -2.807 -1.610) 5.676 3.622 ( -2.763 7.480 3.196) 8.590 3.686 ( 5.369 2.843 0.132) 6.077 3.745 ( -3.181 2.228 0.519) 3.918 3.796 ( 1.418 -1.231 2.480) 3.111 3.849 ( 2.845 -2.814 -1.985) 4.466 3.896 ( 6.174 1.877 3.665) 7.421 3.984 ( -2.224 -5.502 2.937) 6.622 4.073 ( 0.965 0.018 1.478) 1.765 4.101 ( 3.294 -4.834 -0.998) 5.934 4.143 ( 3.313 -6.318 4.764) 8.579 4.341 ( 1.181 3.994 -2.336) 4.775 4.426 ( -0.550 -3.547 -2.994) 4.674 4.552 ( 0.203 2.703 -3.401) 4.349 4.588 ( -2.099 -1.050 -2.374) 3.338 4.669 ( 1.889 0.649 1.573) 2.542 4.705 ( 2.787 -1.729 0.583) 3.331 4.826 ( 2.283 3.523 -0.883) 4.289 4.920 ( 3.378 -4.729 1.303) 5.956 5.146 ( -0.448 4.402 -1.378) 4.635 5.217 ( -3.710 -2.031 2.234) 4.783 5.306 ( -4.469 3.888 1.844) 6.204 5.366 ( -7.170 0.162 3.487) 7.974 5.471 ( 6.525 2.085 -2.084) 7.160 5.512 ( -1.187 -0.799 2.053) 2.502 5.636 ( -0.675 -0.104 0.008) 0.683 5.650 ( 0.289 -2.024 -2.815) 3.480 5.894 ( 0.552 2.702 -0.214) 2.767 5.976 ( -0.868 -4.706 1.104) 4.911 6.392 ( -8.701 16.429 1.591) 18.659 6.708 ( -13.216 -13.479 1.618) 18.946 19.685 ( 0.512 0.061 0.428) 0.670 19.695 ( 0.144 -0.614 0.450) 0.775 19.729 ( -0.100 0.304 -0.314) 0.448 19.742 ( 0.427 -0.765 -0.596) 1.060 19.916 ( 0.634 0.223 -0.042) 0.673 19.923 ( 0.485 -0.431 -0.044) 0.650 20.048 ( 1.305 1.492 -0.346) 2.012 20.068 ( 1.318 -0.373 -0.633) 1.509 25.088 ( 0.034 0.065 -0.062) 0.096 25.089 ( -0.087 -0.125 -0.089) 0.176 25.124 ( -0.059 0.195 0.286) 0.352 25.129 ( -0.120 -0.249 0.564) 0.628 31.486 ( 0.267 0.164 -0.303) 0.435 31.490 ( 0.120 -0.174 -0.292) 0.361 31.501 ( 0.205 0.358 -0.390) 0.568 31.507 ( 0.136 -0.192 -0.153) 0.281 41.404 ( -3.089 3.234 1.589) 4.746 41.504 ( -5.984 -5.623 1.948) 8.439 42.162 ( -2.091 7.602 -0.990) 7.946 42.257 ( -0.873 -2.203 -1.533) 2.822 42.623 ( 0.007 6.068 4.286) 7.429 42.741 ( 1.822 -5.184 6.751) 8.704 43.778 ( 12.074 1.250 -16.295) 20.319 43.818 ( 10.150 -2.463 -11.579) 15.594 ======================= Grid point 67 (38/96) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 9.525 2.080 2.647) 10.102 1.601 ( 3.848 -3.476 1.971) 5.547 1.954 ( -1.009 8.980 -3.566) 9.714 2.089 ( -0.133 -1.528 1.246) 1.976 2.347 ( -1.410 3.660 -5.034) 6.382 2.477 ( 2.141 -3.716 -4.350) 6.109 2.510 ( 3.829 0.698 0.474) 3.921 2.610 ( 6.941 -1.559 0.476) 7.129 2.812 ( -12.195 3.616 0.199) 12.721 2.944 ( -6.458 -8.107 0.209) 10.367 3.062 ( 0.147 -1.530 -1.346) 2.043 3.116 ( 0.725 -6.359 -2.922) 7.036 3.256 ( 4.641 1.689 -0.405) 4.955 3.316 ( 0.001 -3.441 -0.667) 3.505 3.416 ( -2.112 5.580 -3.515) 6.925 3.471 ( 0.061 -0.451 -1.018) 1.116 3.525 ( 1.205 1.765 -0.734) 2.260 3.560 ( 4.946 -1.654 -0.176) 5.218 3.616 ( 1.950 2.035 2.572) 3.815 3.663 ( -1.936 -0.176 0.727) 2.076 3.792 ( 1.977 1.921 5.725) 6.354 3.845 ( -0.127 -2.094 2.046) 2.930 3.901 ( 1.385 -0.676 1.135) 1.914 3.933 ( -1.427 -2.501 2.032) 3.524 4.060 ( 6.423 4.634 -1.851) 8.133 4.127 ( 3.246 3.493 0.351) 4.782 4.142 ( 2.071 -1.338 1.341) 2.807 4.256 ( 5.956 -7.977 1.409) 10.055 4.304 ( -2.617 2.102 -1.200) 3.565 4.375 ( -2.971 -3.446 -3.186) 5.554 4.557 ( 0.636 2.451 -0.632) 2.610 4.598 ( 2.881 -1.682 1.790) 3.785 4.708 ( 0.017 -0.683 3.828) 3.889 4.720 ( -1.505 -1.570 0.832) 2.329 4.919 ( 6.748 5.915 0.351) 8.980 4.965 ( -0.948 2.201 -1.189) 2.675 5.132 ( -7.416 3.603 6.634) 10.582 5.168 ( -5.830 4.246 3.576) 8.051 5.182 ( -0.318 0.131 -0.747) 0.823 5.289 ( 2.807 -3.581 0.505) 4.578 5.495 ( 2.561 0.936 -5.729) 6.345 5.554 ( 2.735 -5.507 -6.243) 8.763 5.627 ( 0.749 3.037 0.602) 3.185 5.691 ( 1.876 -3.230 -0.830) 3.827 5.912 ( 0.397 3.807 0.817) 3.913 5.982 ( 0.404 -3.176 1.743) 3.646 6.249 ( -4.893 8.183 -1.282) 9.621 6.431 ( -14.458 -8.395 2.192) 16.862 19.695 ( 0.180 -0.346 0.231) 0.453 19.701 ( 0.098 -0.799 0.445) 0.920 19.727 ( 0.078 1.007 -0.269) 1.045 19.749 ( 0.430 -1.014 -0.418) 1.178 19.928 ( 0.437 0.123 0.175) 0.486 19.932 ( 0.476 -0.375 0.148) 0.623 20.063 ( 0.387 1.512 -0.436) 1.621 20.083 ( 0.368 -0.244 -0.639) 0.777 25.087 ( -0.109 -0.011 -0.210) 0.237 25.087 ( -0.034 -0.008 -0.179) 0.183 25.125 ( 0.013 0.149 0.342) 0.374 25.128 ( -0.103 -0.172 0.465) 0.507 31.491 ( 0.221 -0.024 0.010) 0.223 31.492 ( 0.037 -0.049 0.002) 0.061 31.506 ( 0.449 0.341 -0.363) 0.671 31.511 ( 0.356 -0.077 -0.231) 0.432 41.383 ( 0.444 -0.097 1.927) 1.980 41.419 ( -3.080 -3.190 2.374) 5.030 42.113 ( -1.820 6.914 -1.052) 7.226 42.204 ( -2.701 -2.235 -1.334) 3.751 42.641 ( 0.297 6.908 1.553) 7.087 42.778 ( -0.409 -5.985 5.171) 7.920 43.926 ( 6.674 2.759 -10.207) 12.504 44.000 ( 9.746 -4.122 -5.105) 11.749 ======================= Grid point 68 (39/96) ======================= q-point: (-0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -8.788 3.398 2.813) 9.833 1.623 ( -2.683 -2.833 3.871) 5.496 1.944 ( 2.519 8.646 -5.377) 10.489 2.089 ( 0.243 -2.644 -0.329) 2.675 2.299 ( -2.074 0.251 -7.007) 7.312 2.379 ( -10.202 -2.720 -1.983) 10.743 2.586 ( -3.533 4.831 2.734) 6.580 2.619 ( -2.990 1.304 0.029) 3.262 2.755 ( 7.644 0.398 -4.393) 8.826 2.857 ( -0.737 -8.221 -2.375) 8.588 3.056 ( 0.714 0.928 -0.909) 1.482 3.129 ( 1.927 -4.488 -1.774) 5.197 3.320 ( -1.212 1.888 -2.994) 3.742 3.344 ( -2.942 -1.154 -4.643) 5.617 3.369 ( 2.236 -0.003 2.952) 3.704 3.415 ( -0.036 -1.836 2.148) 2.826 3.563 ( 0.956 1.290 -2.392) 2.881 3.600 ( 1.651 -0.821 -2.920) 3.453 3.665 ( 0.817 -0.658 0.687) 1.254 3.690 ( 1.513 -1.560 1.457) 2.616 3.801 ( -0.864 -0.378 7.508) 7.567 3.823 ( -1.942 -1.531 5.648) 6.165 3.901 ( -1.688 1.684 3.845) 4.525 3.945 ( 0.839 0.101 0.610) 1.043 4.039 ( -5.360 4.465 2.396) 7.376 4.108 ( -3.614 2.045 0.749) 4.220 4.175 ( -1.606 -3.824 -0.025) 4.148 4.222 ( -6.306 -6.159 3.662) 9.545 4.373 ( 7.402 1.827 -5.209) 9.234 4.432 ( 5.600 -2.685 -5.840) 8.525 4.597 ( 3.607 4.276 -1.091) 5.699 4.649 ( -1.326 -0.962 -0.952) 1.895 4.678 ( -4.035 -0.785 3.248) 5.239 4.684 ( 0.642 -1.067 6.315) 6.437 4.864 ( -4.874 5.341 -3.022) 7.837 4.942 ( -5.515 0.237 0.462) 5.539 5.055 ( 0.605 3.484 2.010) 4.068 5.111 ( -1.585 0.997 6.183) 6.461 5.262 ( 4.320 2.891 1.969) 5.559 5.318 ( -0.058 -2.277 2.411) 3.317 5.551 ( 6.340 5.282 -6.421) 10.456 5.600 ( -2.711 4.374 0.089) 5.147 5.649 ( 1.028 -1.955 -2.374) 3.242 5.742 ( 6.449 -3.579 -5.294) 9.079 5.920 ( 0.238 -2.926 5.101) 5.885 5.940 ( -6.041 -3.764 3.852) 8.093 6.232 ( 3.467 -0.566 -4.990) 6.103 6.237 ( -1.736 -0.560 -2.950) 3.469 19.692 ( -0.505 -0.443 0.070) 0.675 19.695 ( -0.607 -0.809 0.193) 1.030 19.732 ( 0.315 1.019 -0.057) 1.068 19.754 ( 0.162 -1.033 -0.189) 1.062 19.933 ( 0.079 0.345 0.416) 0.546 19.942 ( 0.286 -0.548 0.542) 0.822 20.061 ( -0.491 1.597 -0.578) 1.768 20.081 ( -0.267 -0.308 -0.727) 0.833 25.084 ( -0.168 0.072 -0.283) 0.337 25.085 ( -0.112 -0.060 -0.221) 0.255 25.127 ( 0.063 0.033 0.395) 0.401 25.128 ( -0.074 -0.061 0.387) 0.399 31.490 ( -0.133 0.117 -0.035) 0.181 31.494 ( 0.025 -0.195 0.063) 0.207 31.514 ( 0.398 0.413 -0.055) 0.576 31.520 ( 0.573 -0.145 0.079) 0.597 41.398 ( 0.306 0.027 2.686) 2.704 41.434 ( 3.726 -3.272 2.819) 5.704 42.098 ( 0.701 6.400 -1.502) 6.611 42.180 ( 1.090 -1.476 -2.189) 2.857 42.621 ( -2.883 5.761 0.218) 6.446 42.742 ( -4.624 -5.631 3.694) 8.169 43.987 ( 2.173 6.761 -5.963) 9.273 44.147 ( 6.077 -8.260 -1.680) 10.392 ======================= Grid point 69 (40/96) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -14.357 8.412 1.829) 16.740 1.509 ( -8.812 -9.263 3.491) 13.253 1.991 ( 1.723 5.906 -3.012) 6.850 2.055 ( -12.252 3.467 0.007) 12.733 2.150 ( -1.526 0.489 -3.872) 4.190 2.204 ( -3.793 -1.367 -4.837) 6.297 2.547 ( -1.571 1.183 0.847) 2.142 2.596 ( -1.509 -4.771 2.119) 5.434 2.779 ( -1.056 4.204 -6.683) 7.965 2.876 ( 0.520 -3.467 -5.576) 6.587 3.082 ( 1.068 4.373 -3.862) 5.931 3.201 ( 3.576 1.988 2.096) 4.597 3.214 ( -6.917 -0.312 -4.357) 8.181 3.282 ( -2.007 -3.502 -1.002) 4.159 3.380 ( -1.883 1.922 1.361) 3.015 3.426 ( -1.740 -4.114 0.462) 4.491 3.580 ( -8.061 2.478 2.593) 8.823 3.601 ( 0.467 -0.839 2.028) 2.243 3.607 ( -0.592 1.349 1.716) 2.262 3.665 ( -2.677 -2.919 -0.285) 3.970 3.771 ( -2.449 3.862 0.906) 4.662 3.844 ( -0.223 -5.531 4.587) 7.189 3.879 ( -5.264 -0.750 0.161) 5.320 3.906 ( -3.496 -0.179 4.803) 5.943 3.986 ( 0.313 3.244 4.769) 5.776 4.057 ( 1.254 -3.446 5.504) 6.614 4.116 ( -2.298 -0.164 1.577) 2.792 4.184 ( 0.056 -5.483 3.748) 6.642 4.403 ( -2.232 2.842 0.219) 3.620 4.462 ( -1.645 -2.071 -2.298) 3.504 4.571 ( -3.757 -0.410 -5.732) 6.866 4.589 ( -1.902 -1.331 -4.618) 5.169 4.664 ( 1.531 4.750 -5.161) 7.179 4.740 ( 2.200 -2.597 -2.452) 4.194 4.842 ( 3.093 4.603 0.741) 5.595 4.917 ( 2.183 -0.303 3.949) 4.522 5.085 ( 1.809 0.189 -4.311) 4.679 5.120 ( 2.009 0.579 2.769) 3.470 5.273 ( -1.276 0.590 2.002) 2.446 5.347 ( 0.299 -4.975 6.112) 7.886 5.492 ( -4.685 2.199 1.779) 5.473 5.533 ( -6.706 -1.586 1.638) 7.083 5.740 ( -2.092 6.778 4.308) 8.300 5.805 ( -6.855 0.653 5.071) 8.551 5.851 ( 13.342 7.136 -7.340) 16.816 5.989 ( 3.635 -3.594 1.185) 5.248 6.230 ( 2.856 5.938 -4.505) 7.982 6.442 ( 16.217 -13.560 -7.949) 22.584 19.679 ( -0.591 -0.202 0.164) 0.646 19.687 ( -0.139 -0.864 0.071) 0.878 19.735 ( 0.076 0.753 -0.076) 0.760 19.755 ( -0.060 -0.943 -0.049) 0.946 19.931 ( -0.509 0.500 0.576) 0.917 19.943 ( -0.473 -0.678 0.738) 1.109 20.042 ( -1.162 1.780 -0.662) 2.226 20.068 ( -0.967 -0.569 -0.762) 1.357 25.079 ( -0.206 0.138 -0.289) 0.381 25.082 ( -0.165 -0.104 -0.200) 0.279 25.127 ( -0.050 0.066 0.332) 0.342 25.129 ( 0.072 -0.103 0.431) 0.449 31.487 ( -0.107 0.229 -0.123) 0.281 31.494 ( -0.000 -0.343 -0.038) 0.345 31.520 ( 0.171 0.590 0.250) 0.664 31.530 ( 0.298 -0.328 0.356) 0.568 41.441 ( 3.027 3.292 3.209) 5.505 41.537 ( 5.552 -5.536 3.302) 8.508 42.126 ( 2.283 7.383 -2.111) 8.011 42.225 ( 3.551 -1.778 -2.973) 4.961 42.534 ( -5.547 3.814 -0.726) 6.771 42.624 ( -7.827 -4.666 2.026) 9.335 43.991 ( 0.178 9.886 -4.412) 10.827 44.228 ( 2.533 -12.490 -0.570) 12.757 ======================= Grid point 70 (41/96) ======================= q-point: (-0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -13.288 12.710 2.339) 18.536 1.332 ( -9.841 -13.901 5.264) 17.827 1.760 ( -14.288 10.885 0.576) 17.971 1.932 ( -5.225 -4.943 -3.050) 7.812 2.182 ( 5.126 4.103 -1.157) 6.667 2.244 ( 5.503 0.114 -4.118) 6.874 2.479 ( -6.130 -0.976 -0.981) 6.285 2.508 ( -7.286 -5.170 -1.789) 9.111 2.768 ( -0.723 4.770 -3.741) 6.105 2.802 ( -5.953 4.124 0.607) 7.267 2.950 ( -14.788 11.639 -1.509) 18.880 3.074 ( -1.922 6.155 -3.035) 7.126 3.162 ( -8.217 -3.649 0.500) 9.004 3.262 ( -1.227 -6.333 -2.379) 6.876 3.313 ( -3.952 1.574 1.345) 4.461 3.384 ( -2.995 -3.214 3.186) 5.427 3.436 ( -3.620 6.985 1.476) 8.005 3.574 ( -2.071 1.751 0.290) 2.727 3.633 ( -2.312 0.245 2.123) 3.148 3.639 ( -4.583 -3.306 -0.429) 5.668 3.705 ( -2.109 -10.263 0.609) 10.495 3.734 ( -0.408 -8.164 1.666) 8.342 3.849 ( 1.879 5.454 3.025) 6.513 3.942 ( 2.244 -2.694 4.343) 5.581 4.042 ( 1.201 0.280 -0.047) 1.234 4.076 ( 0.638 -2.156 4.888) 5.381 4.123 ( 2.531 2.431 2.526) 4.324 4.253 ( 4.173 -6.658 3.355) 8.544 4.355 ( -2.064 3.288 0.264) 3.891 4.403 ( -3.176 -2.103 -2.011) 4.307 4.481 ( -2.724 1.705 -6.376) 7.140 4.560 ( -1.901 -4.516 -2.904) 5.696 4.668 ( 1.639 5.342 -2.753) 6.229 4.769 ( 1.828 -3.998 -5.838) 7.308 4.898 ( 1.441 1.619 -0.022) 2.167 4.944 ( -2.103 -2.476 -1.167) 3.452 5.118 ( 4.360 6.216 -5.708) 9.498 5.204 ( -4.373 -2.632 0.268) 5.111 5.218 ( 3.360 3.816 -0.128) 5.086 5.294 ( -3.360 -3.330 2.034) 5.149 5.468 ( 1.136 1.826 1.560) 2.657 5.513 ( 2.529 -1.737 7.517) 8.119 5.667 ( -4.914 2.949 4.723) 7.427 5.689 ( -5.996 0.642 2.570) 6.555 6.017 ( 2.948 2.004 5.145) 6.260 6.055 ( 1.237 -1.791 1.459) 2.620 6.363 ( 12.824 17.642 -6.935) 22.887 6.749 ( 16.076 -18.886 -6.626) 25.672 19.677 ( 0.432 0.454 0.202) 0.658 19.694 ( 0.889 -0.877 0.083) 1.251 19.735 ( 0.014 0.507 -0.136) 0.525 19.753 ( -0.039 -0.972 0.023) 0.973 19.916 ( -1.105 0.454 0.495) 1.293 19.927 ( -1.243 -0.666 0.627) 1.543 20.012 ( -1.689 1.647 -0.575) 2.428 20.038 ( -1.832 -0.756 -0.670) 2.092 25.075 ( -0.128 0.178 -0.130) 0.255 25.078 ( -0.119 -0.132 -0.092) 0.200 25.127 ( -0.048 0.174 0.278) 0.332 25.132 ( 0.025 -0.213 0.422) 0.473 31.486 ( 0.015 0.264 -0.108) 0.285 31.494 ( 0.045 -0.447 -0.052) 0.453 31.522 ( -0.104 0.639 0.258) 0.697 31.533 ( -0.150 -0.384 0.267) 0.492 41.529 ( 5.008 5.588 3.111) 8.123 41.655 ( 5.254 -5.974 3.091) 8.535 42.148 ( -0.419 8.176 -2.238) 8.487 42.266 ( 0.284 -2.342 -2.906) 3.744 42.421 ( -5.559 1.712 0.321) 5.825 42.478 ( -5.509 -3.260 -0.697) 6.439 43.980 ( 0.223 10.404 -6.888) 12.479 44.242 ( -0.791 -14.837 -3.200) 15.199 ======================= Grid point 71 (42/96) ======================= q-point: (-0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -9.071 17.539 1.798) 19.828 1.183 ( -6.192 -13.682 6.710) 16.449 1.507 ( -12.729 15.273 3.262) 20.148 1.847 ( -2.268 -14.081 -1.440) 14.335 2.215 ( -9.659 8.619 -2.399) 13.166 2.315 ( 3.774 5.483 0.533) 6.677 2.329 ( -4.313 -1.964 1.743) 5.049 2.411 ( 0.819 -0.066 -0.380) 0.905 2.550 ( -11.529 14.881 3.853) 19.215 2.788 ( -0.355 4.251 -4.992) 6.567 2.824 ( 1.736 1.373 -3.505) 4.145 2.966 ( -8.707 -10.308 1.894) 13.626 3.051 ( -0.438 2.303 -0.466) 2.390 3.192 ( -2.436 -5.395 -4.742) 7.584 3.250 ( -3.115 2.564 2.844) 4.937 3.342 ( -1.956 -5.854 2.929) 6.832 3.418 ( -0.255 5.832 1.370) 5.996 3.513 ( -3.188 -1.790 2.705) 4.548 3.539 ( -2.302 -0.861 -1.804) 3.049 3.584 ( -2.077 -2.176 -0.490) 3.048 3.700 ( 0.006 -2.507 1.857) 3.120 3.765 ( 0.080 -4.002 -1.739) 4.365 3.946 ( 4.668 3.336 -1.050) 5.832 4.015 ( 4.355 -1.893 3.232) 5.745 4.043 ( 0.113 4.060 2.167) 4.603 4.130 ( 3.667 -2.156 1.573) 4.536 4.170 ( 0.535 1.198 1.413) 1.928 4.266 ( -4.513 -5.721 0.321) 7.294 4.303 ( -4.525 0.085 -0.776) 4.592 4.346 ( -2.047 -3.334 0.101) 3.913 4.460 ( 0.120 -0.630 -4.540) 4.585 4.495 ( 0.584 -4.449 -3.529) 5.709 4.709 ( 2.668 5.782 -5.306) 8.289 4.793 ( 2.564 -1.759 -4.956) 5.850 4.872 ( -2.399 -0.252 -0.253) 2.425 4.910 ( -0.711 -2.776 0.731) 2.958 5.070 ( -6.272 0.082 0.240) 6.277 5.092 ( -4.777 -1.966 -0.551) 5.194 5.325 ( 8.204 6.555 -7.248) 12.759 5.380 ( 6.156 3.411 4.027) 8.109 5.484 ( -0.062 2.796 -0.576) 2.855 5.565 ( -1.322 -2.352 2.145) 3.447 5.606 ( -0.993 0.827 6.044) 6.181 5.613 ( -1.445 -0.638 1.379) 2.097 6.031 ( -2.690 0.757 3.858) 4.763 6.066 ( -0.660 -2.586 10.843) 11.166 6.604 ( 11.417 19.590 -5.107) 23.242 7.003 ( 10.596 -19.135 -3.925) 22.222 19.698 ( 1.525 1.199 0.090) 1.942 19.718 ( 1.103 0.208 0.050) 1.124 19.737 ( 0.358 -0.428 -0.163) 0.582 19.753 ( -0.079 -1.127 0.048) 1.131 19.896 ( -0.845 0.212 0.165) 0.887 19.902 ( -1.185 -0.461 0.267) 1.299 19.975 ( -1.860 1.087 -0.293) 2.174 19.995 ( -2.206 -0.792 -0.413) 2.380 25.075 ( 0.097 0.120 0.208) 0.259 25.078 ( 0.109 -0.159 0.173) 0.259 25.127 ( -0.053 0.228 0.234) 0.331 25.132 ( -0.063 -0.260 0.360) 0.449 31.487 ( 0.088 0.237 -0.016) 0.253 31.495 ( 0.059 -0.479 0.011) 0.483 31.518 ( -0.295 0.529 -0.007) 0.606 31.526 ( -0.467 -0.270 -0.119) 0.552 41.653 ( 6.871 5.439 1.783) 8.943 41.755 ( 4.370 -4.017 1.535) 6.130 42.076 ( -5.651 5.868 -1.695) 8.321 42.177 ( -8.505 -4.018 -0.209) 9.408 42.354 ( -0.147 4.324 -0.400) 4.345 42.444 ( 0.959 -4.171 0.241) 4.287 43.934 ( -3.041 10.511 -15.236) 18.758 44.165 ( -5.222 -12.324 -10.318) 16.900 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -8.164 0.000 18.970) 20.652 0.857 ( 3.751 0.000 18.980) 19.348 1.272 ( -20.088 0.000 25.347) 32.342 1.855 ( 10.856 0.000 -15.400) 18.842 1.952 ( -11.965 0.000 -17.510) 21.208 2.037 ( 6.629 0.000 -7.532) 10.034 2.099 ( -3.292 0.000 6.581) 7.359 2.518 ( -0.211 0.000 14.641) 14.643 2.627 ( 10.367 0.000 -5.752) 11.856 2.810 ( 10.936 0.000 0.608) 10.953 2.866 ( -2.409 0.000 5.638) 6.132 3.042 ( 1.668 0.000 1.260) 2.091 3.116 ( -6.660 0.000 1.577) 6.844 3.214 ( 6.091 0.000 4.391) 7.509 3.232 ( 2.055 0.000 0.701) 2.171 3.401 ( 0.170 0.000 -2.571) 2.577 3.416 ( 2.861 0.000 0.327) 2.880 3.501 ( -1.925 0.000 5.999) 6.301 3.609 ( -1.726 0.000 -4.931) 5.224 3.684 ( -1.500 0.000 -2.901) 3.266 3.784 ( 4.136 0.000 -1.162) 4.296 3.819 ( 2.263 0.000 -3.528) 4.192 3.864 ( -4.168 0.000 -1.163) 4.328 3.888 ( -1.569 0.000 -8.719) 8.859 3.968 ( -7.206 0.000 -1.187) 7.303 4.127 ( 2.606 0.000 2.719) 3.766 4.255 ( -1.692 0.000 -2.492) 3.013 4.343 ( -5.310 0.000 -1.872) 5.631 4.353 ( -1.686 0.000 0.279) 1.709 4.463 ( 6.455 0.000 -6.227) 8.969 4.465 ( -3.177 0.000 7.258) 7.923 4.604 ( 6.269 0.000 1.641) 6.481 4.648 ( 0.622 0.000 -5.426) 5.462 4.807 ( 2.773 0.000 -5.507) 6.166 4.884 ( -0.940 0.000 4.335) 4.436 4.932 ( -3.094 0.000 -0.597) 3.151 5.039 ( 4.054 0.000 0.016) 4.054 5.040 ( -5.962 0.000 -0.117) 5.963 5.179 ( 19.330 0.000 -1.482) 19.387 5.236 ( -3.949 0.000 0.561) 3.988 5.337 ( -0.921 0.000 -1.996) 2.198 5.487 ( -4.310 0.000 1.290) 4.499 5.651 ( 3.247 0.000 -3.305) 4.634 5.737 ( 1.581 0.000 -2.906) 3.308 5.805 ( 1.533 0.000 6.684) 6.857 6.129 ( 2.340 0.000 -1.449) 2.753 6.671 ( -1.357 0.000 18.710) 18.759 7.531 ( -7.703 0.000 -8.541) 11.501 19.685 ( 0.179 0.000 0.049) 0.186 19.693 ( -0.016 0.000 -0.026) 0.031 19.765 ( -0.034 0.000 -0.131) 0.136 19.766 ( -0.044 0.000 -0.128) 0.135 19.897 ( -0.872 0.000 -0.213) 0.897 19.897 ( 0.822 0.000 -0.124) 0.831 19.949 ( -0.165 0.000 0.628) 0.650 19.977 ( -0.395 0.000 -0.305) 0.499 25.082 ( 0.055 0.000 0.294) 0.299 25.109 ( -0.064 0.000 -0.482) 0.486 25.143 ( -0.592 0.000 0.442) 0.739 25.164 ( 2.098 0.000 -0.094) 2.100 31.490 ( -0.660 0.000 0.042) 0.661 31.493 ( 0.425 0.000 -0.075) 0.432 31.510 ( -0.135 0.000 0.082) 0.158 31.522 ( 0.097 0.000 -0.168) 0.194 41.519 ( 3.210 0.000 1.489) 3.538 41.630 ( -4.620 0.000 -1.471) 4.848 41.893 ( -4.472 0.000 0.910) 4.563 42.078 ( -10.344 0.000 -3.653) 10.970 42.319 ( -4.008 0.000 5.256) 6.610 42.393 ( -7.986 0.000 2.211) 8.286 42.762 ( 4.486 0.000 11.135) 12.005 43.861 ( -8.593 0.000 -19.309) 21.135 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 10.103 0.000 11.651) 15.421 0.986 ( 4.472 0.000 17.847) 18.398 1.342 ( 19.814 0.000 17.424) 26.386 1.708 ( -7.188 0.000 -15.633) 17.207 2.042 ( 4.190 0.000 -0.633) 4.238 2.113 ( 10.247 0.000 -6.416) 12.091 2.152 ( 5.088 0.000 -2.717) 5.768 2.531 ( -2.234 0.000 7.004) 7.352 2.791 ( 9.279 0.000 -11.003) 14.393 2.863 ( 0.480 0.000 5.815) 5.835 2.960 ( 0.456 0.000 -0.268) 0.529 3.036 ( -1.682 0.000 7.180) 7.374 3.083 ( 5.777 0.000 6.660) 8.817 3.315 ( 3.096 0.000 1.091) 3.282 3.338 ( 3.744 0.000 4.469) 5.830 3.431 ( 4.085 0.000 -4.029) 5.737 3.469 ( 0.159 0.000 0.703) 0.720 3.541 ( 9.351 0.000 -0.293) 9.355 3.572 ( -0.749 0.000 -4.218) 4.284 3.622 ( -2.155 0.000 -4.653) 5.127 3.772 ( -2.412 0.000 -4.878) 5.442 3.808 ( -2.954 0.000 3.945) 4.928 3.846 ( -3.452 0.000 0.556) 3.496 3.855 ( 2.149 0.000 -1.845) 2.833 3.950 ( 6.679 0.000 -3.714) 7.642 4.157 ( -7.498 0.000 -0.826) 7.543 4.162 ( -1.486 0.000 3.858) 4.134 4.253 ( -2.187 0.000 -0.962) 2.389 4.338 ( 0.802 0.000 0.854) 1.172 4.411 ( -4.166 0.000 4.059) 5.817 4.537 ( 1.516 0.000 -8.718) 8.849 4.588 ( -2.095 0.000 -5.452) 5.840 4.706 ( 3.499 0.000 -2.295) 4.184 4.771 ( -0.137 0.000 0.414) 0.436 4.863 ( -0.735 0.000 5.385) 5.435 4.944 ( -3.521 0.000 -1.260) 3.740 5.031 ( 8.427 0.000 -6.744) 10.793 5.080 ( 0.798 0.000 -1.347) 1.566 5.208 ( 1.381 0.000 -1.625) 2.133 5.323 ( -0.501 0.000 0.045) 0.503 5.381 ( -6.062 0.000 4.488) 7.542 5.602 ( 15.466 0.000 -3.534) 15.865 5.702 ( 2.472 0.000 -3.247) 4.081 5.752 ( 0.676 0.000 -4.136) 4.191 5.810 ( -2.590 0.000 6.277) 6.790 6.120 ( -2.787 0.000 -1.384) 3.111 6.621 ( -8.751 0.000 18.269) 20.257 7.272 ( -12.227 0.000 -5.372) 13.355 19.687 ( -0.399 0.000 0.123) 0.417 19.691 ( 0.354 0.000 0.002) 0.354 19.758 ( -0.620 0.000 -0.054) 0.623 19.758 ( -0.588 0.000 -0.288) 0.655 19.892 ( 0.203 0.000 -0.274) 0.341 19.911 ( 0.572 0.000 0.330) 0.660 19.961 ( 1.285 0.000 0.587) 1.413 19.985 ( 1.249 0.000 -0.475) 1.336 25.084 ( 0.071 0.000 0.257) 0.266 25.104 ( -0.295 0.000 -0.433) 0.524 25.132 ( -0.605 0.000 0.165) 0.627 25.180 ( -0.297 0.000 0.102) 0.314 31.477 ( -0.562 0.000 -0.099) 0.571 31.499 ( 0.153 0.000 0.203) 0.254 31.508 ( -0.015 0.000 -0.007) 0.017 31.513 ( -1.041 0.000 0.038) 1.042 41.528 ( -3.087 0.000 -2.997) 4.303 41.598 ( 3.916 0.000 3.643) 5.348 41.827 ( -2.403 0.000 -1.545) 2.857 42.173 ( 21.172 0.000 -4.630) 21.672 42.308 ( 0.185 0.000 7.603) 7.606 42.532 ( 13.380 0.000 2.233) 13.565 42.882 ( 4.660 0.000 13.458) 14.242 43.638 ( -8.209 0.000 -19.015) 20.711 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 10.458 0.000 11.403) 15.472 1.196 ( 16.950 0.000 3.850) 17.382 1.602 ( 0.878 0.000 -12.596) 12.627 1.921 ( 30.835 0.000 5.558) 31.332 2.079 ( 1.774 0.000 6.310) 6.554 2.183 ( -1.523 0.000 0.150) 1.531 2.315 ( 5.514 0.000 -3.757) 6.672 2.524 ( 5.120 0.000 -7.519) 9.097 2.900 ( 2.875 0.000 -8.663) 9.127 2.921 ( 3.731 0.000 5.056) 6.283 2.999 ( 6.796 0.000 0.038) 6.796 3.020 ( -2.615 0.000 6.534) 7.037 3.230 ( 4.689 0.000 4.398) 6.429 3.343 ( 0.061 0.000 2.978) 2.979 3.372 ( -0.974 0.000 -6.419) 6.493 3.430 ( -1.778 0.000 -2.621) 3.167 3.433 ( -0.997 0.000 2.081) 2.308 3.607 ( 1.152 0.000 -0.621) 1.308 3.625 ( 4.461 0.000 -0.500) 4.489 3.733 ( 0.056 0.000 -5.494) 5.494 3.741 ( 5.537 0.000 1.027) 5.631 3.769 ( -0.680 0.000 6.379) 6.415 3.842 ( -3.860 0.000 1.320) 4.079 3.927 ( 9.077 0.000 1.280) 9.167 3.999 ( -1.631 0.000 -1.793) 2.424 4.077 ( -4.077 0.000 1.170) 4.241 4.080 ( 2.177 0.000 1.619) 2.712 4.273 ( 1.914 0.000 2.042) 2.799 4.335 ( -2.976 0.000 0.869) 3.100 4.385 ( 2.434 0.000 1.882) 3.077 4.474 ( -3.185 0.000 -4.996) 5.925 4.571 ( 0.163 0.000 -7.188) 7.190 4.730 ( -0.033 0.000 -1.937) 1.937 4.770 ( -0.263 0.000 -6.362) 6.367 4.869 ( -0.599 0.000 2.762) 2.827 4.979 ( 8.479 0.000 3.333) 9.110 5.080 ( 0.686 0.000 -3.754) 3.816 5.173 ( 6.232 0.000 -2.740) 6.808 5.223 ( -1.033 0.000 -3.021) 3.192 5.301 ( -3.740 0.000 8.079) 8.903 5.346 ( 5.221 0.000 -3.330) 6.192 5.635 ( -6.640 0.000 6.574) 9.344 5.709 ( -5.192 0.000 -3.749) 6.404 5.757 ( -1.493 0.000 2.347) 2.782 5.769 ( -1.071 0.000 0.578) 1.217 6.037 ( -3.920 0.000 -1.814) 4.320 6.461 ( -11.253 0.000 13.918) 17.898 7.081 ( -6.575 0.000 -9.133) 11.254 19.686 ( 0.343 0.000 -0.000) 0.343 19.697 ( 0.244 0.000 0.196) 0.313 19.745 ( -0.520 0.000 -0.328) 0.615 19.749 ( -0.086 0.000 -0.150) 0.173 19.899 ( 0.583 0.000 -0.344) 0.677 19.922 ( 0.390 0.000 0.671) 0.776 19.995 ( 1.731 0.000 0.428) 1.783 20.013 ( 1.527 0.000 -0.598) 1.640 25.085 ( -0.006 0.000 0.061) 0.062 25.096 ( -0.329 0.000 -0.325) 0.463 25.123 ( -0.255 0.000 0.091) 0.271 25.167 ( -0.832 0.000 0.688) 1.080 31.470 ( -0.039 0.000 -0.178) 0.182 31.492 ( -0.882 0.000 0.110) 0.889 31.500 ( -0.091 0.000 0.251) 0.267 31.510 ( 0.133 0.000 0.125) 0.182 41.467 ( -2.243 0.000 -3.741) 4.362 41.675 ( 1.460 0.000 6.936) 7.088 41.783 ( -1.009 0.000 -4.411) 4.525 42.348 ( 1.453 0.000 9.029) 9.146 42.524 ( 7.486 0.000 -1.925) 7.730 42.890 ( 24.260 0.000 -12.498) 27.290 43.027 ( 5.480 0.000 16.046) 16.956 43.506 ( 3.004 0.000 -18.021) 18.270 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 11.683 0.000 8.725) 14.581 1.474 ( 8.429 0.000 -1.865) 8.633 1.707 ( 13.362 0.000 -6.650) 14.925 2.037 ( -5.958 0.000 4.091) 7.227 2.129 ( -2.531 0.000 -0.346) 2.554 2.344 ( 2.608 0.000 -5.014) 5.652 2.514 ( 19.330 0.000 1.381) 19.379 2.635 ( 7.301 0.000 -5.173) 8.948 2.903 ( -4.596 0.000 -3.149) 5.571 2.911 ( 0.501 0.000 -3.086) 3.126 3.121 ( -1.864 0.000 -5.850) 6.140 3.135 ( 12.812 0.000 3.455) 13.270 3.191 ( -0.342 0.000 3.195) 3.214 3.323 ( 0.279 0.000 -1.469) 1.496 3.381 ( 3.380 0.000 -4.674) 5.768 3.477 ( 3.916 0.000 4.679) 6.102 3.484 ( 2.871 0.000 5.086) 5.840 3.555 ( -9.069 0.000 -1.469) 9.188 3.597 ( -1.824 0.000 0.041) 1.824 3.736 ( 1.199 0.000 -4.356) 4.518 3.796 ( 1.201 0.000 6.646) 6.754 3.844 ( 3.431 0.000 -2.718) 4.377 3.858 ( 3.500 0.000 9.943) 10.542 3.920 ( -0.976 0.000 -0.962) 1.371 3.988 ( 0.193 0.000 2.613) 2.620 4.129 ( 2.005 0.000 2.127) 2.923 4.131 ( -0.532 0.000 -0.775) 0.940 4.242 ( 0.692 0.000 -0.639) 0.942 4.389 ( -3.370 0.000 0.457) 3.400 4.409 ( -1.135 0.000 -1.705) 2.048 4.437 ( 8.833 0.000 0.941) 8.883 4.599 ( 4.539 0.000 -2.273) 5.077 4.707 ( -1.511 0.000 -1.297) 1.991 4.739 ( -1.035 0.000 -9.238) 9.295 4.853 ( -1.090 0.000 -0.866) 1.392 5.098 ( 0.164 0.000 1.294) 1.304 5.111 ( -5.051 0.000 0.879) 5.127 5.225 ( 4.004 0.000 -0.655) 4.057 5.263 ( -2.563 0.000 5.889) 6.423 5.277 ( 10.169 0.000 4.669) 11.189 5.504 ( 10.883 0.000 -8.793) 13.991 5.505 ( -6.684 0.000 7.519) 10.061 5.513 ( -12.510 0.000 -1.197) 12.568 5.703 ( -2.873 0.000 0.055) 2.873 5.741 ( -1.865 0.000 3.899) 4.322 5.991 ( -0.182 0.000 -3.657) 3.662 6.292 ( -8.615 0.000 7.559) 11.461 6.893 ( -11.227 0.000 -7.888) 13.721 19.699 ( 0.965 0.000 -0.246) 0.996 19.700 ( 0.014 0.000 0.388) 0.388 19.739 ( 0.029 0.000 -0.235) 0.237 19.754 ( 0.471 0.000 -0.259) 0.538 19.914 ( 1.118 0.000 -0.469) 1.213 19.929 ( 0.119 0.000 0.618) 0.630 20.023 ( 0.915 0.000 0.366) 0.985 20.036 ( 0.987 0.000 -0.535) 1.123 25.084 ( -0.042 0.000 -0.169) 0.174 25.089 ( -0.305 0.000 -0.249) 0.394 25.123 ( 0.128 0.000 0.240) 0.272 25.155 ( -0.659 0.000 0.659) 0.932 31.476 ( 0.692 0.000 -0.213) 0.724 31.483 ( -0.015 0.000 0.003) 0.015 31.498 ( -0.171 0.000 0.228) 0.284 31.511 ( -0.073 0.000 0.181) 0.195 41.431 ( -0.031 0.000 -3.360) 3.360 41.650 ( -4.855 0.000 3.064) 5.741 41.793 ( 2.346 0.000 0.746) 2.462 42.420 ( 3.194 0.000 8.147) 8.751 42.462 ( -9.881 0.000 0.966) 9.928 43.162 ( 2.715 0.000 17.633) 17.841 43.276 ( 18.090 0.000 -21.992) 28.476 43.679 ( 16.561 0.000 -11.487) 20.155 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 3.454 0.000 -2.952) 4.544 1.663 ( 7.539 0.000 7.511) 10.642 1.870 ( -9.641 0.000 2.780) 10.034 1.924 ( 5.368 0.000 -0.754) 5.420 2.169 ( 8.843 0.000 -4.052) 9.727 2.368 ( -0.343 0.000 -8.670) 8.676 2.565 ( -3.647 0.000 1.877) 4.101 2.700 ( -5.265 0.000 -1.201) 5.401 2.864 ( -10.118 0.000 2.756) 10.487 2.950 ( -2.512 0.000 -5.989) 6.495 2.986 ( 11.131 0.000 -5.384) 12.365 3.271 ( -5.021 0.000 -0.927) 5.105 3.339 ( 2.664 0.000 1.023) 2.854 3.352 ( 0.246 0.000 5.117) 5.123 3.388 ( 6.372 0.000 1.896) 6.648 3.425 ( 0.413 0.000 -7.270) 7.281 3.569 ( 2.737 0.000 1.493) 3.118 3.589 ( 4.795 0.000 2.459) 5.389 3.594 ( 5.101 0.000 0.149) 5.103 3.726 ( -1.373 0.000 -4.632) 4.831 3.816 ( 1.733 0.000 0.381) 1.774 3.883 ( 1.906 0.000 -5.056) 5.404 3.931 ( 0.654 0.000 3.512) 3.573 3.986 ( 1.570 0.000 6.301) 6.494 4.021 ( 1.918 0.000 0.476) 1.976 4.060 ( 0.150 0.000 3.723) 3.726 4.177 ( 2.178 0.000 3.364) 4.008 4.321 ( -4.067 0.000 -0.238) 4.074 4.369 ( 10.689 0.000 4.876) 11.749 4.385 ( 0.096 0.000 -2.920) 2.921 4.568 ( 4.355 0.000 -3.044) 5.313 4.663 ( -3.288 0.000 -0.771) 3.377 4.679 ( -2.052 0.000 -6.598) 6.909 4.713 ( 5.805 0.000 4.150) 7.136 4.824 ( -1.385 0.000 -1.340) 1.927 4.961 ( -8.565 0.000 0.240) 8.569 4.984 ( -13.053 0.000 10.413) 16.698 5.204 ( -5.908 0.000 4.539) 7.450 5.228 ( -10.219 0.000 -6.125) 11.914 5.254 ( -0.227 0.000 2.114) 2.126 5.470 ( 0.074 0.000 -2.261) 2.262 5.578 ( 12.350 0.000 6.412) 13.915 5.661 ( -1.406 0.000 0.276) 1.433 5.673 ( 7.881 0.000 -6.731) 10.364 5.823 ( 12.092 0.000 2.803) 12.412 5.990 ( 0.618 0.000 -2.729) 2.798 6.173 ( -4.676 0.000 1.764) 4.997 6.587 ( -17.924 0.000 -4.136) 18.395 19.701 ( -0.109 0.000 0.367) 0.383 19.716 ( 0.683 0.000 -0.338) 0.762 19.745 ( 0.557 0.000 -0.128) 0.572 19.760 ( 0.155 0.000 -0.298) 0.336 19.928 ( -0.421 0.000 0.336) 0.539 19.939 ( 1.515 0.000 -0.579) 1.622 20.030 ( -0.301 0.000 0.417) 0.514 20.050 ( 0.547 0.000 -0.413) 0.685 25.083 ( -0.299 0.000 -0.209) 0.365 25.083 ( -0.003 0.000 -0.230) 0.230 25.128 ( 0.316 0.000 0.395) 0.506 25.145 ( -0.509 0.000 0.466) 0.690 31.489 ( 0.507 0.000 0.045) 0.509 31.493 ( -0.343 0.000 0.106) 0.360 31.495 ( 1.191 0.000 -0.223) 1.212 31.508 ( -0.220 0.000 0.058) 0.228 41.456 ( 3.429 0.000 -2.693) 4.361 41.547 ( -5.352 0.000 0.033) 5.352 41.861 ( 3.758 0.000 4.999) 6.254 42.255 ( -9.764 0.000 -0.292) 9.768 42.497 ( 1.855 0.000 6.843) 7.090 43.214 ( -2.730 0.000 17.128) 17.344 43.468 ( 8.215 0.000 -21.140) 22.680 43.990 ( 16.653 0.000 -9.119) 18.987 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -15.057 0.000 3.059) 15.365 1.627 ( 3.956 0.000 -0.425) 3.979 1.909 ( 5.672 0.000 10.359) 11.810 1.971 ( 1.729 0.000 -2.417) 2.972 2.277 ( -4.639 0.000 -9.377) 10.462 2.277 ( -2.676 0.000 -0.059) 2.676 2.375 ( -12.965 0.000 -7.652) 15.055 2.626 ( -9.579 0.000 -3.334) 10.142 2.689 ( 2.180 0.000 1.290) 2.534 2.975 ( 1.322 0.000 2.685) 2.993 3.096 ( -5.294 0.000 -4.231) 6.777 3.111 ( 3.295 0.000 4.162) 5.309 3.354 ( -1.699 0.000 0.984) 1.963 3.367 ( -1.024 0.000 -8.552) 8.613 3.449 ( -0.173 0.000 2.723) 2.728 3.477 ( 2.979 0.000 5.008) 5.827 3.634 ( -1.173 0.000 1.365) 1.800 3.651 ( 1.627 0.000 -2.710) 3.160 3.680 ( 3.870 0.000 0.150) 3.873 3.712 ( 1.768 0.000 -3.825) 4.214 3.821 ( -2.316 0.000 0.745) 2.433 3.891 ( 1.193 0.000 -5.573) 5.699 3.916 ( 3.245 0.000 0.503) 3.284 4.023 ( 1.920 0.000 2.864) 3.448 4.037 ( 0.049 0.000 -0.937) 0.938 4.187 ( 4.475 0.000 10.719) 11.616 4.225 ( 0.185 0.000 1.693) 1.703 4.246 ( -0.748 0.000 -4.798) 4.856 4.386 ( -0.377 0.000 -2.961) 2.985 4.462 ( -18.263 0.000 7.303) 19.669 4.589 ( -5.983 0.000 -0.742) 6.029 4.593 ( -1.149 0.000 -4.278) 4.430 4.645 ( 11.460 0.000 5.853) 12.868 4.781 ( -2.097 0.000 -1.433) 2.540 4.817 ( 0.846 0.000 3.455) 3.557 4.843 ( 0.789 0.000 5.588) 5.643 4.883 ( 3.816 0.000 0.238) 3.824 5.049 ( -4.818 0.000 -6.944) 8.452 5.120 ( -1.760 0.000 3.573) 3.983 5.288 ( 3.422 0.000 0.187) 3.427 5.419 ( -3.850 0.000 -3.820) 5.423 5.639 ( -1.919 0.000 1.954) 2.739 5.733 ( 0.431 0.000 -2.211) 2.252 5.782 ( 4.004 0.000 6.000) 7.213 5.993 ( 0.606 0.000 -0.596) 0.850 6.139 ( -0.612 0.000 -2.662) 2.731 6.139 ( 1.361 0.000 -0.369) 1.410 6.248 ( 3.679 0.000 -1.740) 4.069 19.697 ( -0.421 0.000 0.325) 0.532 19.724 ( 0.311 0.000 -0.320) 0.447 19.754 ( 0.245 0.000 -0.118) 0.272 19.758 ( -0.211 0.000 -0.431) 0.480 19.916 ( -0.805 0.000 0.047) 0.807 19.966 ( 1.214 0.000 -0.605) 1.357 20.017 ( -1.094 0.000 0.557) 1.228 20.055 ( 0.089 0.000 -0.323) 0.335 25.076 ( -0.276 0.000 -0.144) 0.311 25.083 ( -0.007 0.000 -0.161) 0.161 25.137 ( 0.363 0.000 0.524) 0.637 25.137 ( -0.403 0.000 0.281) 0.491 31.486 ( -0.401 0.000 -0.119) 0.419 31.499 ( 0.485 0.000 0.208) 0.528 31.504 ( -0.130 0.000 -0.121) 0.177 31.518 ( 1.126 0.000 -0.270) 1.158 41.459 ( -3.219 0.000 -1.229) 3.446 41.541 ( 5.415 0.000 -1.757) 5.693 41.972 ( 5.582 0.000 7.941) 9.707 42.107 ( -4.731 0.000 -1.793) 5.059 42.514 ( -1.993 0.000 5.051) 5.430 43.147 ( -8.726 0.000 14.938) 17.300 43.503 ( 1.997 0.000 -19.420) 19.522 44.251 ( 12.380 0.000 -10.677) 16.348 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -16.080 0.000 6.108) 17.201 1.729 ( 5.702 0.000 1.249) 5.837 1.916 ( -13.248 0.000 4.160) 13.885 1.988 ( -1.583 0.000 12.952) 13.048 2.066 ( -12.323 0.000 -12.940) 17.869 2.126 ( -2.452 0.000 -2.543) 3.533 2.226 ( 0.883 0.000 -7.833) 7.883 2.505 ( -2.665 0.000 -8.992) 9.379 2.730 ( 1.322 0.000 2.205) 2.571 2.868 ( -8.279 0.000 -2.256) 8.581 3.103 ( -1.076 0.000 0.899) 1.402 3.146 ( -3.100 0.000 8.000) 8.580 3.303 ( -10.693 0.000 2.481) 10.977 3.336 ( -6.547 0.000 2.199) 6.907 3.367 ( 4.173 0.000 -8.005) 9.027 3.466 ( -1.909 0.000 -0.945) 2.130 3.566 ( -2.226 0.000 -1.125) 2.495 3.606 ( -3.487 0.000 -1.469) 3.784 3.750 ( 3.916 0.000 4.043) 5.628 3.755 ( -6.069 0.000 9.143) 10.974 3.827 ( 0.802 0.000 0.386) 0.890 3.919 ( 1.179 0.000 -3.082) 3.300 4.007 ( 5.749 0.000 1.171) 5.867 4.032 ( -3.966 0.000 0.614) 4.013 4.040 ( 0.898 0.000 -1.684) 1.908 4.117 ( -6.254 0.000 8.500) 10.553 4.189 ( -0.471 0.000 -6.149) 6.167 4.235 ( -4.432 0.000 5.307) 6.914 4.252 ( 0.335 0.000 -7.788) 7.795 4.329 ( -3.318 0.000 -4.047) 5.233 4.513 ( -1.299 0.000 4.782) 4.956 4.546 ( -2.152 0.000 -2.880) 3.595 4.736 ( 0.946 0.000 -4.335) 4.437 4.838 ( 1.810 0.000 8.895) 9.077 4.861 ( 1.517 0.000 0.936) 1.783 4.869 ( -2.470 0.000 -5.156) 5.717 4.906 ( 2.254 0.000 3.788) 4.408 5.087 ( 7.996 0.000 -7.728) 11.120 5.220 ( 10.146 0.000 -1.261) 10.224 5.334 ( -2.398 0.000 -2.899) 3.762 5.409 ( 8.113 0.000 4.831) 9.442 5.553 ( -8.030 0.000 1.597) 8.188 5.655 ( -6.821 0.000 1.335) 6.950 5.789 ( -5.004 0.000 5.643) 7.542 5.855 ( -11.239 0.000 2.341) 11.480 6.009 ( 1.026 0.000 -5.010) 5.114 6.221 ( 5.859 0.000 7.191) 9.275 6.672 ( 25.203 0.000 -6.415) 26.007 19.688 ( -0.479 0.000 0.281) 0.555 19.727 ( -0.034 0.000 -0.415) 0.416 19.752 ( -0.144 0.000 -0.525) 0.544 19.752 ( -0.251 0.000 -0.127) 0.281 19.900 ( -0.749 0.000 -0.068) 0.752 19.977 ( 0.054 0.000 -0.492) 0.495 19.995 ( -1.251 0.000 0.669) 1.418 20.049 ( -0.662 0.000 -0.369) 0.757 25.072 ( -0.095 0.000 0.048) 0.107 25.082 ( -0.048 0.000 -0.035) 0.059 25.131 ( -0.305 0.000 0.138) 0.335 25.145 ( 0.291 0.000 0.634) 0.697 31.479 ( -0.156 0.000 -0.320) 0.356 31.503 ( 0.095 0.000 -0.201) 0.223 31.507 ( 0.181 0.000 0.347) 0.392 31.533 ( 0.456 0.000 -0.429) 0.626 41.419 ( -0.500 0.000 -1.662) 1.735 41.633 ( 3.743 0.000 -0.493) 3.775 42.057 ( 0.140 0.000 -4.040) 4.043 42.107 ( 4.269 0.000 11.575) 12.337 42.461 ( -3.283 0.000 1.699) 3.696 42.964 ( -13.483 0.000 11.750) 17.884 43.464 ( 0.060 0.000 -19.218) 19.218 44.400 ( 6.188 0.000 -15.774) 16.944 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -13.282 0.000 10.374) 16.853 1.503 ( -24.630 0.000 13.293) 27.989 1.831 ( -6.226 0.000 -16.247) 17.399 1.881 ( 6.781 0.000 -7.165) 9.865 1.962 ( -4.901 0.000 12.663) 13.578 2.183 ( 6.055 0.000 -1.544) 6.249 2.248 ( 0.621 0.000 -1.908) 2.006 2.457 ( 0.213 0.000 -9.213) 9.216 2.675 ( -8.662 0.000 -10.780) 13.829 2.760 ( 0.001 0.000 3.239) 3.239 2.829 ( -26.562 0.000 17.173) 31.630 3.063 ( -1.295 0.000 4.517) 4.700 3.089 ( -6.751 0.000 6.761) 9.555 3.333 ( -4.562 0.000 0.347) 4.575 3.337 ( -1.125 0.000 2.300) 2.560 3.482 ( -9.938 0.000 3.385) 10.498 3.496 ( -1.086 0.000 -3.235) 3.412 3.578 ( 5.086 0.000 -4.101) 6.534 3.581 ( -3.482 0.000 5.232) 6.285 3.795 ( -0.566 0.000 -2.606) 2.667 3.813 ( -4.945 0.000 -0.477) 4.968 3.866 ( -5.464 0.000 -3.369) 6.419 3.966 ( -0.972 0.000 1.438) 1.736 4.085 ( 0.840 0.000 -0.395) 0.928 4.094 ( -0.047 0.000 -1.569) 1.569 4.120 ( 0.204 0.000 3.183) 3.190 4.166 ( -0.346 0.000 -0.962) 1.023 4.217 ( 3.578 0.000 -5.975) 6.964 4.247 ( 7.309 0.000 4.810) 8.750 4.358 ( 6.936 0.000 -11.987) 13.849 4.499 ( -1.809 0.000 -0.521) 1.882 4.502 ( -2.089 0.000 3.179) 3.804 4.687 ( -6.094 0.000 -2.583) 6.619 4.806 ( -0.589 0.000 -3.163) 3.218 4.823 ( -3.960 0.000 5.496) 6.774 4.911 ( 2.161 0.000 -3.133) 3.805 4.952 ( 1.998 0.000 2.045) 2.858 5.215 ( 6.713 0.000 -7.658) 10.184 5.264 ( -8.761 0.000 -2.805) 9.199 5.356 ( 5.645 0.000 0.870) 5.711 5.500 ( -7.579 0.000 3.949) 8.547 5.532 ( 8.780 0.000 0.863) 8.822 5.606 ( 6.798 0.000 4.303) 8.045 5.624 ( -12.644 0.000 5.949) 13.974 5.729 ( -4.706 0.000 4.035) 6.199 6.006 ( 1.099 0.000 -5.791) 5.894 6.392 ( 8.056 0.000 12.290) 14.695 7.136 ( 23.426 0.000 -7.573) 24.620 19.682 ( -0.150 0.000 0.194) 0.246 19.714 ( -1.029 0.000 -0.469) 1.131 19.752 ( 0.295 0.000 -0.428) 0.519 19.753 ( 0.412 0.000 -0.149) 0.438 19.888 ( -0.394 0.000 -0.063) 0.399 19.963 ( -1.428 0.000 -0.013) 1.428 19.974 ( -0.965 0.000 0.323) 1.017 20.028 ( -1.353 0.000 -0.484) 1.437 25.076 ( 0.543 0.000 0.437) 0.697 25.081 ( -0.059 0.000 0.105) 0.120 25.126 ( -0.186 0.000 0.068) 0.198 25.151 ( 0.072 0.000 0.701) 0.705 31.479 ( 0.212 0.000 -0.385) 0.439 31.506 ( 0.235 0.000 -0.108) 0.258 31.508 ( -0.169 0.000 0.360) 0.398 31.533 ( -0.354 0.000 -0.600) 0.696 41.426 ( 1.469 0.000 -1.295) 1.958 41.675 ( 0.693 0.000 0.155) 0.710 42.072 ( 2.398 0.000 -5.560) 6.055 42.127 ( -5.902 0.000 9.638) 11.302 42.476 ( 4.821 0.000 3.346) 5.869 42.708 ( -14.559 0.000 8.077) 16.649 43.381 ( -4.265 0.000 -21.920) 22.331 44.371 ( -4.386 0.000 -23.891) 24.290 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -5.459 0.000 15.041) 16.001 1.075 ( -21.863 0.000 17.310) 27.886 1.704 ( -13.768 0.000 1.225) 13.822 1.794 ( -8.451 0.000 -0.732) 8.482 1.956 ( 4.510 0.000 -12.095) 12.909 2.165 ( -6.422 0.000 6.322) 9.012 2.228 ( -7.822 0.000 -11.402) 13.827 2.437 ( 6.364 0.000 -0.180) 6.366 2.511 ( -6.353 0.000 19.083) 20.112 2.629 ( 7.385 0.000 -8.718) 11.426 2.872 ( 6.186 0.000 1.949) 6.485 2.980 ( -4.130 0.000 7.755) 8.786 3.102 ( 3.488 0.000 5.406) 6.434 3.240 ( -5.521 0.000 1.362) 5.687 3.250 ( -4.040 0.000 -2.084) 4.546 3.396 ( -2.019 0.000 6.751) 7.046 3.435 ( -2.883 0.000 -2.335) 3.710 3.542 ( -3.063 0.000 3.212) 4.439 3.656 ( 0.988 0.000 -3.739) 3.867 3.703 ( -3.068 0.000 1.518) 3.423 3.748 ( -2.105 0.000 -3.932) 4.460 3.781 ( 1.466 0.000 -6.222) 6.392 3.977 ( -2.967 0.000 -2.893) 4.144 3.987 ( -5.293 0.000 -5.791) 7.846 4.048 ( -0.122 0.000 -1.418) 1.423 4.105 ( -2.730 0.000 2.320) 3.583 4.244 ( 3.392 0.000 -2.346) 4.124 4.322 ( 6.783 0.000 -2.198) 7.130 4.412 ( -2.159 0.000 3.727) 4.307 4.431 ( 5.918 0.000 2.735) 6.519 4.460 ( -2.005 0.000 -2.342) 3.083 4.539 ( 9.866 0.000 -14.325) 17.394 4.542 ( -5.308 0.000 6.907) 8.711 4.789 ( 1.456 0.000 4.201) 4.446 4.796 ( -0.500 0.000 -1.744) 1.815 4.941 ( 1.965 0.000 -2.887) 3.493 5.002 ( 2.261 0.000 0.779) 2.392 5.092 ( -6.141 0.000 -0.647) 6.175 5.279 ( -1.289 0.000 -4.379) 4.565 5.300 ( -13.880 0.000 5.867) 15.069 5.401 ( -6.534 0.000 1.057) 6.619 5.477 ( 5.355 0.000 -1.824) 5.657 5.653 ( -2.962 0.000 0.802) 3.069 5.708 ( 2.582 0.000 0.024) 2.582 5.708 ( 6.007 0.000 5.524) 8.161 6.054 ( 4.777 0.000 -2.531) 5.406 6.575 ( 5.546 0.000 16.106) 17.034 7.496 ( 13.632 0.000 -9.568) 16.654 19.682 ( 0.090 0.000 0.117) 0.148 19.695 ( -0.537 0.000 -0.185) 0.568 19.760 ( 0.550 0.000 -0.256) 0.607 19.762 ( 0.380 0.000 -0.144) 0.407 19.886 ( 0.225 0.000 -0.105) 0.248 19.928 ( -1.937 0.000 -0.181) 1.946 19.958 ( -0.789 0.000 0.451) 0.909 19.998 ( -1.414 0.000 -0.461) 1.487 25.081 ( -0.012 0.000 0.227) 0.227 25.099 ( 1.431 0.000 0.246) 1.452 25.127 ( 0.558 0.000 0.384) 0.678 25.151 ( -0.277 0.000 0.656) 0.712 31.484 ( 0.436 0.000 -0.293) 0.525 31.502 ( -0.551 0.000 0.195) 0.584 31.510 ( 0.097 0.000 0.054) 0.111 31.523 ( -0.285 0.000 -0.365) 0.463 41.463 ( 2.426 0.000 -0.202) 2.434 41.672 ( -0.801 0.000 -0.054) 0.803 42.002 ( -7.258 0.000 3.951) 8.264 42.113 ( 3.352 0.000 -6.022) 6.892 42.451 ( -10.710 0.000 5.898) 12.227 42.630 ( 5.922 0.000 7.931) 9.898 43.021 ( -30.195 0.000 -23.098) 38.017 44.114 ( -11.721 0.000 -23.874) 26.596 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -2.516 -6.091 15.000) 16.384 1.134 ( -8.926 16.040 17.085) 25.078 1.502 ( -6.468 -7.852 4.049) 10.949 1.717 ( -4.887 10.818 1.151) 11.926 1.981 ( 2.409 6.784 -9.506) 11.924 2.118 ( 5.540 9.438 -5.318) 12.167 2.310 ( -5.264 9.140 0.153) 10.549 2.406 ( 2.242 -10.714 5.947) 12.457 2.593 ( 0.904 -5.243 8.261) 9.826 2.765 ( 4.528 0.478 -6.822) 8.202 2.827 ( 9.267 -1.036 5.827) 10.995 3.004 ( 2.858 -2.443 2.793) 4.684 3.160 ( 4.196 -0.587 -1.647) 4.546 3.198 ( -3.728 -1.161 2.569) 4.674 3.316 ( -0.159 6.947 1.911) 7.207 3.344 ( 0.488 -2.963 1.134) 3.210 3.428 ( 2.607 0.443 2.250) 3.472 3.472 ( -0.723 -0.553 0.257) 0.946 3.600 ( 2.278 -5.557 0.605) 6.037 3.675 ( -2.162 2.756 -2.752) 4.454 3.730 ( -2.583 -6.371 -1.457) 7.027 3.762 ( 1.525 -3.478 -1.940) 4.265 3.875 ( 1.882 3.097 -6.689) 7.607 3.888 ( -3.136 0.378 -1.345) 3.433 3.999 ( -7.280 0.527 -0.721) 7.335 4.100 ( 0.421 -1.352 0.298) 1.448 4.188 ( -2.047 -6.532 -2.972) 7.463 4.292 ( -3.722 -2.919 0.632) 4.773 4.336 ( -2.466 0.185 -2.105) 3.248 4.444 ( 4.793 -2.257 -2.953) 6.065 4.521 ( 4.825 -5.750 1.833) 7.727 4.553 ( -0.223 3.731 1.645) 4.083 4.603 ( 0.486 -4.940 -1.754) 5.265 4.717 ( 2.182 -2.308 -5.225) 6.115 4.901 ( 1.201 -1.077 0.819) 1.809 4.931 ( -2.790 -3.351 -5.538) 7.049 5.028 ( -0.027 0.373 0.792) 0.876 5.117 ( 4.436 -2.994 0.409) 5.367 5.192 ( -4.920 3.983 3.523) 7.244 5.252 ( -4.192 6.226 -0.014) 7.506 5.410 ( 10.132 11.338 -2.002) 15.337 5.546 ( 0.628 1.590 -0.018) 1.709 5.610 ( 0.720 -3.085 -3.264) 4.549 5.754 ( -0.393 0.792 2.512) 2.663 5.937 ( 0.713 9.202 2.524) 9.569 6.271 ( 2.947 13.401 -1.247) 13.778 6.594 ( -1.283 -6.920 16.855) 18.265 7.368 ( -3.866 -13.979 -6.309) 15.817 19.693 ( -0.003 0.791 -0.041) 0.792 19.700 ( 0.130 0.747 -0.063) 0.761 19.761 ( -0.174 -0.444 -0.077) 0.483 19.764 ( -0.200 -0.353 -0.147) 0.432 19.892 ( -0.408 -0.283 -0.072) 0.501 19.896 ( 0.573 -0.079 -0.117) 0.590 19.947 ( -0.178 -0.095 0.467) 0.508 19.971 ( -0.362 -0.498 -0.313) 0.691 25.082 ( 0.089 0.048 0.298) 0.315 25.105 ( 0.081 -0.453 -0.292) 0.545 25.140 ( -0.232 -0.327 0.483) 0.628 25.149 ( 1.008 -0.834 0.494) 1.398 31.487 ( -0.106 -0.053 0.031) 0.123 31.498 ( -0.277 0.275 -0.260) 0.469 31.507 ( -0.160 -0.301 0.084) 0.352 31.515 ( -0.074 -0.502 -0.068) 0.512 41.666 ( -1.723 4.980 -0.699) 5.316 41.765 ( 8.105 10.487 -4.194) 13.902 41.901 ( -2.412 1.415 0.289) 2.811 42.058 ( -6.258 -1.727 -1.929) 6.773 42.376 ( 6.270 3.807 3.444) 8.104 42.599 ( -16.516 16.180 -5.683) 23.809 42.758 ( -1.421 5.065 6.522) 8.379 43.799 ( -8.369 -6.151 -19.770) 22.332 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 11.350 -8.120 11.570) 18.128 1.172 ( 7.848 12.330 12.909) 19.500 1.475 ( 2.928 -13.317 -7.383) 15.506 1.711 ( 5.995 21.362 8.338) 23.702 2.069 ( 5.569 2.204 -5.358) 8.037 2.173 ( 1.828 6.853 -2.138) 7.408 2.312 ( 5.156 11.072 -1.484) 12.303 2.452 ( 1.278 -9.219 1.897) 9.498 2.667 ( 4.362 -8.133 9.368) 13.150 2.862 ( 7.751 4.322 -9.732) 13.171 3.023 ( 4.808 0.145 5.292) 7.152 3.038 ( 2.734 -0.891 2.232) 3.640 3.105 ( -1.786 0.905 1.715) 2.636 3.265 ( 0.751 -0.999 4.229) 4.410 3.331 ( 1.555 -4.181 -4.835) 6.579 3.375 ( 1.573 1.531 2.431) 3.275 3.490 ( 2.899 0.155 -1.347) 3.200 3.511 ( 3.796 -1.770 1.119) 4.335 3.608 ( -1.205 -1.476 -1.875) 2.674 3.667 ( 2.358 -0.948 -3.229) 4.109 3.713 ( 1.326 -2.363 0.546) 2.764 3.750 ( -0.562 0.321 -0.724) 0.971 3.812 ( -2.044 -1.227 -0.859) 2.534 3.895 ( 0.768 2.311 -1.517) 2.869 3.995 ( 4.908 0.866 -0.400) 5.000 4.073 ( -3.408 -6.135 5.285) 8.786 4.119 ( -4.026 -5.180 -2.164) 6.908 4.215 ( -2.736 -1.664 -1.920) 3.734 4.304 ( -0.798 1.549 -0.085) 1.744 4.504 ( -1.262 0.649 -0.824) 1.641 4.532 ( 2.309 -1.904 -4.176) 5.137 4.554 ( -0.127 -0.757 -3.294) 3.383 4.653 ( 3.274 -4.139 -0.367) 5.290 4.725 ( 1.462 -1.806 0.594) 2.398 4.828 ( -4.737 -5.375 -1.952) 7.426 4.984 ( -3.269 1.946 1.030) 3.941 5.024 ( 0.895 -4.059 -4.181) 5.895 5.096 ( 5.877 1.244 -5.122) 7.894 5.182 ( 0.174 3.021 4.106) 5.101 5.260 ( 2.681 4.538 -1.122) 5.389 5.490 ( -4.104 3.078 2.303) 5.624 5.630 ( 7.435 1.924 -0.541) 7.699 5.659 ( 3.738 -3.732 -4.494) 6.935 5.723 ( -4.025 -0.297 4.790) 6.264 5.975 ( 2.680 8.155 -0.346) 8.591 6.246 ( -5.023 13.115 -0.358) 14.049 6.545 ( -8.298 -6.494 16.162) 19.294 7.196 ( -8.978 -7.509 -6.220) 13.254 19.687 ( -0.479 0.318 0.187) 0.604 19.700 ( -0.029 0.654 -0.012) 0.654 19.748 ( -0.726 -0.692 -0.190) 1.021 19.757 ( -0.620 -0.373 -0.042) 0.725 19.892 ( 0.270 0.039 -0.158) 0.315 19.911 ( 0.632 -0.114 0.244) 0.687 19.961 ( 1.424 0.044 0.408) 1.482 19.984 ( 1.624 -0.176 -0.581) 1.734 25.085 ( 0.061 0.064 0.233) 0.249 25.101 ( -0.277 -0.269 -0.343) 0.516 25.132 ( -0.465 0.022 0.203) 0.507 25.163 ( 0.042 -1.225 0.561) 1.348 31.479 ( -0.494 0.199 -0.086) 0.539 31.495 ( -0.124 -0.288 -0.093) 0.327 31.501 ( -0.382 -0.349 0.068) 0.522 31.513 ( -0.179 -0.206 0.155) 0.313 41.534 ( -6.900 4.371 0.471) 8.181 41.824 ( -1.412 0.007 -2.170) 2.589 41.919 ( -1.633 13.941 -0.220) 14.038 42.154 ( 16.699 -2.378 -2.742) 17.089 42.400 ( 0.456 14.906 -4.508) 15.579 42.604 ( 15.292 6.902 2.364) 16.943 42.858 ( 5.115 -2.201 12.872) 14.025 43.577 ( -7.853 -6.098 -19.784) 22.142 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 16.760 -6.443 6.457) 19.082 1.393 ( 11.164 -4.481 -0.595) 12.044 1.543 ( 5.944 7.703 -1.780) 9.892 1.994 ( 14.153 3.716 1.500) 14.710 2.122 ( 2.121 1.456 -0.338) 2.595 2.248 ( 7.398 10.371 4.526) 13.519 2.382 ( 0.585 2.370 -0.373) 2.470 2.518 ( 6.863 0.798 -7.700) 10.345 2.815 ( 8.915 -4.354 6.624) 11.929 2.967 ( 3.392 4.150 -9.060) 10.526 2.994 ( -2.309 0.009 0.650) 2.399 3.110 ( 2.504 4.288 1.291) 5.131 3.190 ( 4.468 -6.414 2.166) 8.112 3.253 ( -1.655 -1.216 3.708) 4.239 3.335 ( 1.098 -3.460 -5.159) 6.308 3.372 ( -0.839 -2.232 -1.767) 2.967 3.520 ( -0.879 -1.245 1.618) 2.222 3.549 ( 1.166 -1.798 -1.370) 2.543 3.626 ( 1.278 1.146 1.782) 2.474 3.659 ( 1.236 -5.267 0.220) 5.415 3.717 ( -0.277 -0.360 -1.433) 1.504 3.844 ( 4.327 4.347 4.318) 7.501 3.871 ( -1.858 1.542 3.911) 4.597 3.901 ( 5.635 -1.903 0.328) 5.957 4.021 ( -1.612 0.029 1.883) 2.479 4.058 ( 0.705 -2.334 -0.973) 2.625 4.075 ( 2.589 1.504 -0.913) 3.130 4.205 ( 1.833 -5.095 0.075) 5.416 4.307 ( 0.661 0.638 1.980) 2.183 4.456 ( -1.398 -0.233 -4.677) 4.887 4.507 ( -1.343 2.041 -0.672) 2.534 4.589 ( 1.742 2.011 -5.216) 5.855 4.676 ( -1.324 -4.123 -0.323) 4.342 4.756 ( 0.367 -4.228 -1.533) 4.512 4.774 ( -0.688 -6.486 1.515) 6.696 4.944 ( 2.980 -1.790 1.157) 3.664 5.030 ( 2.439 -1.034 -2.640) 3.740 5.195 ( 1.310 4.168 1.660) 4.673 5.272 ( 7.580 3.741 -6.342) 10.567 5.300 ( 3.125 3.048 -2.004) 4.803 5.423 ( -2.647 2.688 1.917) 4.232 5.586 ( -8.875 -2.037 8.048) 12.153 5.661 ( -1.979 -1.233 -2.417) 3.358 5.728 ( -0.093 -3.312 1.874) 3.806 6.021 ( 1.565 4.986 -2.032) 5.607 6.089 ( -10.097 14.390 1.096) 17.613 6.383 ( -11.332 -5.937 12.323) 17.763 7.030 ( -6.508 -5.560 -8.644) 12.165 19.683 ( 0.180 -0.007 0.296) 0.347 19.701 ( 0.072 0.241 0.118) 0.278 19.738 ( -0.165 -0.615 -0.526) 0.826 19.744 ( -0.477 -0.481 0.093) 0.684 19.899 ( 0.563 0.128 -0.131) 0.592 19.923 ( 0.497 -0.062 0.477) 0.691 19.995 ( 1.703 0.266 0.251) 1.742 20.019 ( 1.908 0.305 -0.764) 2.077 25.085 ( -0.021 0.018 0.030) 0.041 25.094 ( -0.296 -0.191 -0.289) 0.456 25.126 ( -0.197 0.219 0.160) 0.335 25.159 ( -0.519 -0.721 0.713) 1.139 31.473 ( -0.062 0.196 -0.206) 0.291 31.486 ( -0.472 -0.308 -0.089) 0.571 31.498 ( -0.037 -0.091 0.256) 0.275 31.512 ( -0.017 -0.001 0.206) 0.207 41.442 ( -3.114 1.428 0.922) 3.548 41.748 ( -5.411 -0.885 0.756) 5.535 41.921 ( 1.190 13.487 -1.397) 13.611 42.297 ( 1.190 -3.601 5.747) 6.886 42.563 ( 8.198 4.106 -3.291) 9.741 42.900 ( 9.766 0.303 -1.718) 9.921 43.058 ( 15.511 3.344 5.423) 16.769 43.464 ( 4.684 -4.094 -17.774) 18.831 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 15.761 -3.853 4.451) 16.825 1.569 ( 7.168 -5.365 -5.773) 10.653 1.716 ( 10.379 9.523 3.814) 14.593 2.080 ( -1.479 3.613 -1.135) 4.066 2.133 ( 0.060 1.151 0.652) 1.324 2.353 ( -0.221 -0.526 -7.012) 7.036 2.536 ( 8.154 1.344 3.890) 9.134 2.624 ( 8.006 -0.099 -1.238) 8.102 2.878 ( -5.407 0.388 -2.768) 6.086 2.993 ( 2.764 3.366 -6.703) 7.994 3.103 ( 12.789 -1.804 1.225) 12.974 3.153 ( 1.547 -3.054 -1.675) 3.812 3.195 ( -5.631 1.784 -2.547) 6.432 3.204 ( 1.790 -4.293 -1.412) 4.861 3.356 ( 2.984 -2.034 -2.282) 4.272 3.441 ( 4.473 -3.456 3.663) 6.736 3.479 ( -3.691 -3.666 0.138) 5.204 3.567 ( 1.913 3.303 2.197) 4.404 3.646 ( 1.122 3.305 0.932) 3.613 3.680 ( -4.235 -2.184 4.441) 6.513 3.741 ( 4.367 -3.284 -0.239) 5.469 3.830 ( 1.092 0.174 1.292) 1.701 3.888 ( -1.094 -1.628 0.761) 2.104 3.990 ( 4.027 7.426 4.704) 9.669 4.003 ( 0.330 0.046 3.034) 3.052 4.089 ( -1.044 -3.320 -1.100) 3.649 4.128 ( 1.423 -0.315 1.655) 2.205 4.237 ( 1.785 -0.281 -1.395) 2.283 4.362 ( 2.218 -1.551 1.460) 3.075 4.447 ( 2.874 0.823 -1.688) 3.433 4.501 ( 0.010 4.950 0.044) 4.950 4.623 ( -2.144 -6.685 0.396) 7.031 4.641 ( 5.460 3.038 -2.468) 6.718 4.734 ( -0.924 -0.868 -5.272) 5.422 4.782 ( 0.499 -5.059 -0.050) 5.083 5.010 ( 0.054 -3.928 -0.824) 4.014 5.136 ( 6.322 -3.745 5.289) 9.054 5.207 ( -1.687 5.441 0.894) 5.766 5.301 ( 1.106 3.768 -0.868) 4.022 5.341 ( -2.036 2.871 2.691) 4.430 5.437 ( -5.011 -0.545 4.618) 6.836 5.508 ( 10.371 0.287 -8.681) 13.528 5.567 ( -6.981 1.097 1.744) 7.279 5.699 ( -2.678 -4.075 1.411) 5.077 5.883 ( -8.268 7.774 2.505) 11.621 6.045 ( 0.578 8.838 -3.326) 9.461 6.212 ( -8.230 -6.202 6.779) 12.334 6.844 ( -11.014 -5.175 -7.094) 14.085 19.695 ( 0.836 -0.207 0.139) 0.872 19.703 ( 0.086 0.143 0.233) 0.286 19.734 ( -0.133 -0.475 -0.167) 0.520 19.745 ( 0.471 -0.745 -0.320) 0.938 19.914 ( 0.950 0.078 -0.108) 0.959 19.932 ( 0.268 0.031 0.417) 0.496 20.023 ( 0.976 0.395 0.159) 1.065 20.048 ( 1.179 0.611 -0.735) 1.518 25.084 ( -0.044 -0.003 -0.174) 0.179 25.088 ( -0.245 -0.100 -0.234) 0.353 25.125 ( 0.078 0.228 0.269) 0.362 25.150 ( -0.508 -0.387 0.620) 0.889 31.477 ( 0.608 0.096 -0.227) 0.656 31.483 ( 0.176 -0.003 -0.126) 0.216 31.498 ( -0.112 0.027 0.267) 0.291 31.511 ( -0.111 -0.034 0.189) 0.222 41.409 ( -0.378 -0.189 0.378) 0.567 41.638 ( -6.009 -1.896 2.108) 6.644 41.930 ( 0.183 10.542 -0.716) 10.568 42.316 ( -1.960 -4.938 3.103) 6.152 42.573 ( -3.258 5.979 3.611) 7.707 43.026 ( 4.426 -8.669 3.924) 10.495 43.387 ( 15.253 6.512 -8.461) 18.618 43.659 ( 16.522 -1.972 -10.618) 19.739 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 9.828 1.376 -0.468) 9.934 1.659 ( 3.750 -0.126 3.404) 5.066 1.807 ( -5.539 -1.221 1.452) 5.855 2.041 ( 0.911 7.840 -1.313) 8.001 2.199 ( 5.557 1.046 -0.572) 5.684 2.336 ( 2.061 -2.546 -11.132) 11.604 2.575 ( -2.532 2.900 2.831) 4.779 2.643 ( -6.328 -3.488 1.385) 7.357 2.823 ( -2.916 -3.052 0.683) 4.276 3.011 ( 1.523 3.655 -5.318) 6.630 3.029 ( -4.839 0.624 -4.540) 6.665 3.184 ( -1.464 -9.793 -1.310) 9.989 3.258 ( 6.114 -1.808 -1.378) 6.523 3.347 ( 4.593 -2.050 3.161) 5.941 3.377 ( 1.452 -2.217 -2.957) 3.971 3.433 ( 0.039 2.353 -0.994) 2.555 3.508 ( -1.268 -4.506 -0.242) 4.687 3.567 ( 2.369 -0.004 1.470) 2.788 3.669 ( 2.581 3.764 1.660) 4.856 3.718 ( 3.464 -4.510 2.187) 6.093 3.788 ( 1.099 3.247 -2.550) 4.272 3.865 ( 3.489 -2.305 -0.948) 4.288 3.944 ( 2.815 0.455 0.436) 2.885 3.985 ( -1.431 1.401 2.146) 2.935 4.030 ( -1.018 -1.565 3.083) 3.604 4.096 ( 3.149 3.794 4.831) 6.903 4.177 ( 2.391 -0.575 1.447) 2.853 4.252 ( -1.917 -1.539 0.550) 2.519 4.381 ( 2.428 1.498 2.337) 3.688 4.496 ( 1.105 3.149 2.133) 3.961 4.545 ( 4.077 -1.895 -2.391) 5.093 4.614 ( 0.739 -2.035 -0.097) 2.167 4.701 ( -1.054 1.347 -3.524) 3.917 4.742 ( 2.060 -1.679 -2.328) 3.533 4.782 ( 2.287 1.582 -0.576) 2.839 4.940 ( -7.190 -0.758 4.782) 8.668 5.077 ( -9.305 7.412 3.173) 12.312 5.147 ( -5.380 -0.458 -0.860) 5.468 5.286 ( -4.705 2.546 6.565) 8.468 5.325 ( -2.398 3.990 -0.773) 4.719 5.482 ( 8.976 -6.448 2.157) 11.261 5.523 ( 0.600 1.843 -1.554) 2.485 5.638 ( 1.720 -3.270 -1.758) 4.091 5.683 ( 5.204 -0.338 -4.655) 6.991 5.853 ( 5.708 3.526 3.556) 7.594 6.032 ( -1.295 4.794 -2.129) 5.403 6.116 ( -2.097 -4.670 1.001) 5.216 6.551 ( -16.853 -3.788 -3.851) 17.697 19.704 ( -0.074 0.190 0.178) 0.271 19.711 ( 0.649 -0.224 -0.071) 0.690 19.733 ( -0.056 -1.009 0.195) 1.029 19.755 ( 0.536 -0.545 -0.514) 0.921 19.930 ( 0.189 0.172 0.308) 0.400 19.940 ( 0.945 0.011 -0.131) 0.954 20.033 ( 0.055 0.583 0.130) 0.599 20.061 ( 0.354 0.642 -0.706) 1.018 25.083 ( -0.227 -0.003 -0.209) 0.308 25.083 ( -0.031 -0.009 -0.213) 0.215 25.129 ( 0.236 0.106 0.385) 0.464 25.143 ( -0.419 -0.198 0.446) 0.643 31.490 ( 0.531 0.071 -0.046) 0.537 31.493 ( 0.354 -0.061 0.001) 0.359 31.496 ( 0.341 0.159 -0.029) 0.377 31.509 ( -0.050 0.025 -0.008) 0.056 41.433 ( 2.660 -1.157 -0.009) 2.901 41.537 ( -4.437 -1.354 1.954) 5.034 41.942 ( 1.338 6.627 1.535) 6.933 42.219 ( -6.400 -2.504 -0.688) 6.907 42.563 ( -0.089 5.388 5.409) 7.635 43.079 ( -1.060 -9.874 6.617) 11.933 43.580 ( 7.326 7.804 -10.643) 15.095 43.959 ( 15.528 -3.023 -8.385) 17.904 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -14.876 1.146 2.236) 15.087 1.674 ( 1.471 3.542 -1.500) 4.118 1.830 ( 6.700 -3.337 4.402) 8.683 2.087 ( 1.524 7.005 3.274) 7.881 2.184 ( -3.173 -8.186 -8.874) 12.483 2.314 ( -11.298 4.040 -4.584) 12.844 2.446 ( -2.081 6.509 -1.133) 6.927 2.642 ( -2.297 0.351 -1.175) 2.604 2.678 ( -3.952 0.210 0.912) 4.061 2.972 ( -2.450 -5.866 0.333) 6.366 3.067 ( 4.744 4.476 -1.474) 6.687 3.100 ( -3.886 -5.569 0.906) 6.851 3.294 ( -1.784 -5.088 -6.243) 8.249 3.349 ( 0.271 -0.267 -3.300) 3.322 3.409 ( -1.752 -1.759 0.895) 2.639 3.499 ( 3.726 0.958 4.671) 6.051 3.569 ( 4.157 -6.070 -1.397) 7.488 3.589 ( 3.654 -4.009 -0.567) 5.454 3.662 ( -2.805 0.650 -0.251) 2.891 3.768 ( 0.762 -1.704 -1.066) 2.149 3.818 ( -3.735 3.978 2.369) 5.948 3.876 ( 2.463 -0.188 -2.257) 3.346 3.960 ( 2.506 0.315 -3.720) 4.497 3.990 ( 0.519 0.923 5.431) 5.533 4.066 ( 0.140 0.778 4.448) 4.518 4.175 ( 3.199 -0.465 6.108) 6.911 4.212 ( 0.906 -2.275 -1.699) 2.981 4.225 ( 1.100 -1.208 -3.151) 3.549 4.422 ( -2.102 1.578 1.277) 2.922 4.470 ( -8.425 -2.291 4.741) 9.935 4.521 ( -5.621 -0.199 4.695) 7.327 4.628 ( -1.597 -0.104 -3.753) 4.080 4.649 ( -1.541 1.615 -3.581) 4.220 4.729 ( 1.872 -0.365 -3.813) 4.263 4.832 ( -2.507 1.177 5.603) 6.251 4.878 ( 0.927 0.641 -0.193) 1.143 5.005 ( 4.181 9.074 4.997) 11.170 5.076 ( 0.728 5.104 -1.050) 5.261 5.202 ( -2.096 5.148 2.222) 5.986 5.319 ( 2.461 2.708 0.118) 3.661 5.447 ( -4.860 0.799 -4.206) 6.477 5.595 ( 0.174 -2.493 1.385) 2.857 5.730 ( -0.981 -1.421 -2.312) 2.886 5.738 ( 5.545 -4.145 3.901) 7.946 6.002 ( -0.489 0.632 -1.404) 1.615 6.038 ( 4.001 -4.100 2.349) 6.192 6.180 ( 8.873 -0.998 -2.873) 9.379 6.214 ( -9.208 -2.265 -1.802) 9.652 19.700 ( -0.448 0.139 0.213) 0.515 19.717 ( 0.009 -0.572 -0.160) 0.594 19.731 ( -0.181 -1.187 0.122) 1.207 19.762 ( 0.274 -0.304 -0.478) 0.630 19.927 ( -0.361 0.844 0.123) 0.926 19.961 ( 0.931 -0.377 -0.107) 1.010 20.025 ( -0.881 0.834 0.158) 1.223 20.061 ( -0.079 0.373 -0.695) 0.793 25.077 ( -0.244 0.078 -0.143) 0.293 25.082 ( -0.025 -0.038 -0.156) 0.162 25.136 ( 0.253 -0.044 0.476) 0.541 25.137 ( -0.293 -0.051 0.301) 0.423 31.487 ( -0.386 0.090 -0.086) 0.406 31.499 ( 0.063 -0.195 0.026) 0.206 31.505 ( 0.421 0.247 -0.036) 0.489 31.520 ( 0.980 0.066 -0.265) 1.018 41.453 ( -1.567 -0.170 0.864) 1.798 41.539 ( 5.015 -0.730 0.277) 5.075 41.988 ( 1.947 2.265 3.832) 4.859 42.130 ( -1.179 1.383 -1.662) 2.463 42.552 ( -2.960 3.546 4.386) 6.370 43.018 ( -6.952 -9.720 6.772) 13.736 43.628 ( 1.263 9.537 -11.383) 14.904 44.194 ( 10.781 -5.339 -9.743) 15.481 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -16.403 1.401 3.828) 16.902 1.699 ( 0.899 -4.314 -2.017) 4.847 1.949 ( 1.526 1.161 8.028) 8.254 1.981 ( -13.262 0.674 -3.438) 13.717 2.064 ( -2.589 2.515 0.442) 3.636 2.145 ( -6.956 -0.564 -0.723) 7.017 2.336 ( -2.462 11.298 -5.546) 12.825 2.559 ( -2.417 4.020 -8.878) 10.041 2.700 ( 1.334 -2.545 2.299) 3.680 2.878 ( -6.662 -1.069 -0.795) 6.794 3.062 ( -4.366 -2.374 2.398) 5.518 3.131 ( 1.345 -2.244 -0.240) 2.627 3.241 ( -5.580 -3.745 0.343) 6.729 3.333 ( 0.261 -0.291 -2.693) 2.721 3.369 ( -2.947 0.448 1.850) 3.508 3.490 ( -5.225 -2.919 -3.101) 6.740 3.517 ( 1.250 -0.296 -4.065) 4.263 3.630 ( -2.298 3.543 0.012) 4.223 3.727 ( 1.564 -1.379 5.385) 5.774 3.742 ( -3.098 -2.241 7.675) 8.574 3.769 ( 0.435 -2.739 3.370) 4.364 3.907 ( -5.700 -2.138 -2.230) 6.483 3.971 ( 0.604 0.637 -2.122) 2.296 4.036 ( 3.877 -3.737 2.068) 5.769 4.069 ( -0.193 0.003 4.957) 4.961 4.131 ( -7.634 1.428 6.426) 10.080 4.209 ( -0.109 -0.889 -5.542) 5.614 4.252 ( -4.345 2.766 3.481) 6.217 4.270 ( 4.580 3.795 -11.966) 13.363 4.372 ( -4.021 2.754 -1.825) 5.204 4.473 ( -1.952 -2.682 5.400) 6.337 4.555 ( -3.210 0.189 -2.943) 4.359 4.651 ( 0.745 -6.601 0.620) 6.672 4.750 ( -0.018 -3.267 -1.137) 3.459 4.856 ( 2.541 0.202 3.613) 4.422 4.886 ( 1.570 3.178 -0.409) 3.569 5.029 ( -0.054 -1.397 -1.482) 2.037 5.091 ( -1.089 9.717 -2.217) 10.026 5.302 ( -1.087 -3.298 0.197) 3.478 5.384 ( 0.981 2.781 -1.272) 3.211 5.437 ( 13.742 11.031 -2.548) 17.805 5.584 ( 0.359 1.731 4.016) 4.388 5.625 ( -7.392 -2.238 1.178) 7.813 5.787 ( -2.179 -0.187 5.199) 5.640 5.871 ( -9.900 1.374 2.904) 10.408 6.030 ( 0.852 1.848 -3.829) 4.336 6.181 ( 4.792 -3.603 5.382) 8.056 6.565 ( 22.533 -9.775 -5.683) 25.211 19.691 ( -0.458 0.108 0.335) 0.578 19.710 ( -0.584 -1.325 -0.101) 1.451 19.730 ( 0.165 -0.626 -0.223) 0.685 19.763 ( 0.048 -0.162 -0.392) 0.427 19.918 ( -0.592 1.325 -0.108) 1.456 19.969 ( -0.169 -0.652 -0.002) 0.674 20.004 ( -1.259 0.874 0.269) 1.556 20.052 ( -0.719 0.116 -0.761) 1.054 25.073 ( -0.106 0.104 0.022) 0.150 25.081 ( -0.054 -0.066 -0.040) 0.095 25.132 ( -0.246 0.077 0.175) 0.312 25.143 ( 0.237 -0.173 0.575) 0.646 31.480 ( -0.178 0.104 -0.262) 0.334 31.499 ( 0.053 -0.330 -0.185) 0.382 31.512 ( 0.227 0.408 0.164) 0.495 31.534 ( 0.436 -0.024 -0.381) 0.580 41.442 ( 0.542 2.400 0.817) 2.593 41.650 ( 5.379 0.367 -0.211) 5.396 42.017 ( 0.724 -0.039 1.411) 1.586 42.173 ( 3.610 2.900 3.129) 5.589 42.477 ( -4.631 1.698 1.557) 5.172 42.854 ( -11.338 -8.717 5.986) 15.504 43.586 ( -1.380 10.180 -13.691) 17.117 44.314 ( 4.467 -8.020 -14.128) 16.848 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -15.766 1.008 6.494) 17.081 1.618 ( -13.938 5.656 1.828) 15.152 1.705 ( -6.317 -9.270 1.643) 11.338 1.958 ( -6.081 2.001 5.476) 8.425 2.028 ( 0.972 9.226 -3.814) 10.030 2.101 ( 3.529 -1.829 -2.718) 4.815 2.347 ( 3.432 4.907 -3.923) 7.159 2.508 ( 0.248 2.735 -7.125) 7.636 2.679 ( -7.287 -0.394 -5.827) 9.339 2.765 ( -1.216 -0.087 2.897) 3.143 2.875 ( -19.514 5.349 10.043) 22.589 2.971 ( -10.537 -1.962 4.991) 11.823 3.167 ( -0.445 1.420 3.000) 3.349 3.311 ( -3.902 -0.722 -1.663) 4.302 3.331 ( -0.898 -1.717 1.699) 2.576 3.438 ( -0.563 -3.181 0.661) 3.297 3.525 ( -10.122 2.624 5.616) 11.870 3.578 ( -2.931 0.205 3.186) 4.334 3.616 ( 4.663 4.156 -5.137) 8.087 3.706 ( -4.309 -4.581 -1.266) 6.415 3.742 ( -5.853 -6.912 -0.740) 9.087 3.844 ( 1.259 -4.936 2.488) 5.669 3.965 ( -4.112 3.274 -2.701) 5.910 4.050 ( 0.391 -2.485 1.803) 3.095 4.088 ( -1.389 -0.815 1.262) 2.046 4.120 ( 2.085 -2.910 -2.076) 4.138 4.189 ( 1.436 0.058 -0.460) 1.509 4.242 ( 1.675 5.828 -0.739) 6.109 4.308 ( 1.432 2.137 -3.099) 4.028 4.384 ( 8.223 2.125 -13.134) 15.641 4.412 ( -4.487 -6.255 8.022) 11.118 4.520 ( -1.504 -0.785 -2.620) 3.122 4.638 ( -2.244 -3.340 1.137) 4.181 4.740 ( -0.892 -3.821 -1.418) 4.172 4.897 ( -0.252 4.021 0.466) 4.056 4.929 ( 2.999 0.077 2.236) 3.742 5.013 ( -1.713 -5.873 -4.383) 7.525 5.083 ( 2.721 8.351 -1.265) 8.874 5.251 ( -7.255 -3.844 -2.869) 8.697 5.332 ( 3.564 -1.531 -2.163) 4.441 5.482 ( -6.858 -1.409 3.752) 7.943 5.639 ( -1.806 2.798 5.388) 6.334 5.678 ( -2.817 6.130 4.117) 7.903 5.745 ( -4.724 1.467 4.537) 6.712 5.790 ( 13.501 16.652 -1.202) 21.471 6.025 ( 1.022 1.878 -4.000) 4.536 6.334 ( 7.632 -5.240 11.062) 14.425 6.983 ( 20.991 -13.847 -6.517) 25.978 19.685 ( -0.224 -0.040 0.404) 0.464 19.700 ( -0.292 -0.408 -0.219) 0.547 19.737 ( 0.624 -0.766 -0.266) 1.024 19.764 ( 0.184 -0.085 -0.333) 0.390 19.903 ( -0.799 1.179 -0.166) 1.434 19.954 ( -1.390 -0.756 0.115) 1.587 19.980 ( -1.223 0.623 0.257) 1.396 20.028 ( -1.452 -0.088 -0.803) 1.662 25.075 ( 0.325 -0.022 0.334) 0.466 25.081 ( 0.022 -0.049 0.110) 0.123 25.128 ( -0.154 0.176 0.123) 0.264 25.148 ( 0.053 -0.263 0.623) 0.679 31.479 ( 0.167 0.063 -0.297) 0.347 31.501 ( 0.173 -0.383 -0.162) 0.451 31.514 ( -0.128 0.375 0.177) 0.434 31.533 ( -0.343 0.004 -0.531) 0.632 41.478 ( 2.836 4.817 0.951) 5.670 41.728 ( 2.480 3.240 -0.750) 4.149 42.036 ( 0.312 -0.449 0.925) 1.074 42.188 ( -3.736 3.518 2.299) 5.623 42.459 ( 3.201 -1.637 2.254) 4.244 42.627 ( -12.396 -6.580 4.604) 14.770 43.493 ( -4.532 9.765 -18.250) 21.189 44.266 ( -4.813 -9.502 -20.800) 23.369 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -13.575 -1.411 9.746) 16.771 1.335 ( -14.862 14.966 14.201) 25.427 1.626 ( -3.280 -14.174 -5.807) 15.664 1.843 ( -7.881 4.377 4.935) 10.277 2.043 ( 2.276 5.770 -10.525) 12.216 2.088 ( -6.105 10.322 -1.941) 12.149 2.379 ( -2.078 -3.527 3.539) 5.411 2.449 ( -8.325 4.466 3.609) 10.113 2.549 ( -0.384 5.899 5.888) 8.344 2.627 ( 4.524 -0.193 -1.580) 4.796 2.822 ( -5.579 -3.883 1.704) 7.008 2.882 ( 6.290 -1.555 5.225) 8.324 3.119 ( -2.086 -1.844 -2.591) 3.804 3.278 ( -0.165 2.758 2.493) 3.721 3.308 ( -2.395 -1.558 2.318) 3.679 3.384 ( -5.066 2.958 5.274) 7.889 3.418 ( -1.880 -0.130 0.825) 2.057 3.521 ( -3.343 -0.579 -0.016) 3.393 3.595 ( -3.086 -5.925 -0.733) 6.721 3.681 ( 2.560 1.729 -1.932) 3.644 3.728 ( 1.544 -4.899 -2.571) 5.744 3.800 ( -4.532 -4.427 0.890) 6.397 3.882 ( -1.400 2.056 -5.785) 6.297 4.000 ( -5.147 0.364 -2.753) 5.849 4.075 ( 0.510 1.700 -1.368) 2.241 4.129 ( -2.617 -0.622 -1.398) 3.032 4.226 ( -0.951 -2.413 -2.470) 3.582 4.295 ( 4.252 -1.427 -1.333) 4.678 4.338 ( 2.560 -3.929 5.788) 7.450 4.413 ( 4.258 -3.412 -1.937) 5.790 4.437 ( -4.621 -3.193 -3.500) 6.618 4.524 ( 5.885 1.321 -3.807) 7.132 4.586 ( -2.359 -0.823 0.179) 2.505 4.719 ( -0.852 -2.197 -1.552) 2.822 4.910 ( 2.629 4.025 -1.797) 5.133 4.967 ( -1.952 -4.115 -1.705) 4.863 5.004 ( 4.003 -2.413 -0.452) 4.696 5.057 ( -4.391 4.388 0.004) 6.208 5.208 ( 2.881 1.363 0.318) 3.203 5.364 ( -5.025 0.647 4.275) 6.629 5.404 ( -4.311 3.581 -0.120) 5.606 5.480 ( -0.702 1.510 -2.557) 3.052 5.664 ( -4.010 1.343 2.382) 4.854 5.738 ( 1.166 2.244 4.661) 5.303 5.922 ( 1.136 12.900 -0.420) 12.957 6.142 ( 9.731 9.795 -1.620) 13.902 6.506 ( 5.211 -6.226 14.730) 16.819 7.305 ( 12.167 -16.527 -6.920) 21.658 19.686 ( 0.336 0.315 0.261) 0.529 19.698 ( 0.079 0.659 -0.187) 0.690 19.752 ( 0.843 -0.673 -0.188) 1.095 19.767 ( 0.124 -0.126 -0.277) 0.328 19.890 ( -0.312 0.404 -0.093) 0.519 19.920 ( -1.865 -0.608 0.055) 1.963 19.959 ( -0.959 0.172 0.275) 1.013 19.995 ( -1.589 -0.341 -0.611) 1.737 25.080 ( 0.051 -0.042 0.251) 0.259 25.093 ( 1.018 -0.471 0.367) 1.180 25.128 ( 0.247 0.134 0.315) 0.422 25.148 ( -0.222 -0.270 0.570) 0.669 31.484 ( 0.322 -0.023 -0.184) 0.372 31.503 ( -0.006 -0.097 -0.125) 0.158 31.509 ( -0.277 0.056 0.143) 0.316 31.522 ( -0.525 -0.052 -0.419) 0.674 41.561 ( 5.581 7.203 0.620) 9.133 41.748 ( 0.103 5.732 -1.270) 5.872 41.989 ( -5.453 -0.259 2.975) 6.217 42.138 ( -0.229 1.647 -5.187) 5.447 42.393 ( -8.663 -3.526 3.856) 10.116 42.593 ( 5.092 -3.572 6.920) 9.304 43.207 ( -21.445 15.126 -22.048) 34.275 44.034 ( -10.187 -7.407 -21.994) 25.345 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -4.912 17.533 -0.284) 18.210 1.107 ( -5.376 -21.801 -5.587) 23.139 1.517 ( -4.140 20.033 10.959) 23.207 1.871 ( 0.869 -8.759 4.102) 9.711 2.102 ( 1.921 3.975 -5.537) 7.082 2.182 ( -1.950 -4.030 -2.926) 5.348 2.401 ( -4.047 4.754 8.323) 10.405 2.458 ( 5.125 2.433 2.934) 6.387 2.592 ( -5.662 17.401 8.018) 19.979 2.774 ( 7.821 0.798 -4.175) 8.901 2.807 ( 7.795 -2.065 -4.251) 9.116 2.960 ( 0.911 -7.312 4.039) 8.403 3.134 ( -0.512 -1.062 4.331) 4.488 3.177 ( 3.629 0.293 0.496) 3.675 3.280 ( 1.494 -0.372 1.889) 2.437 3.376 ( 2.229 -4.095 0.680) 4.711 3.468 ( -1.322 1.723 0.612) 2.256 3.485 ( 0.692 3.288 0.499) 3.397 3.515 ( 1.968 -2.865 0.281) 3.487 3.562 ( -1.762 -5.267 1.178) 5.677 3.703 ( -0.997 0.666 -2.062) 2.385 3.739 ( 0.456 -1.691 -1.282) 2.170 3.889 ( -3.248 1.736 -0.834) 3.776 3.951 ( -1.645 2.358 -5.432) 6.145 3.978 ( -9.160 -1.645 -3.758) 10.036 4.022 ( -1.592 -7.340 -3.422) 8.253 4.135 ( -3.801 4.403 -1.633) 6.042 4.251 ( -1.146 -3.382 -3.565) 5.046 4.295 ( 1.961 -1.494 1.830) 3.070 4.383 ( 5.454 -6.732 3.890) 9.497 4.425 ( 2.188 2.240 -1.436) 3.445 4.492 ( 2.787 -3.825 -1.731) 5.040 4.630 ( 0.419 2.520 -1.577) 3.002 4.675 ( 0.734 -2.057 -3.800) 4.383 4.889 ( -0.053 0.500 -4.562) 4.590 4.902 ( -0.363 0.127 -1.394) 1.446 5.016 ( -1.677 -0.193 2.358) 2.900 5.052 ( -4.261 -3.239 5.138) 7.420 5.298 ( 5.103 7.605 -5.687) 10.780 5.445 ( -2.070 2.459 -0.334) 3.232 5.466 ( 3.005 -1.280 -3.585) 4.850 5.551 ( 0.305 -0.305 0.691) 0.815 5.644 ( -0.500 5.461 2.825) 6.168 5.736 ( -0.360 -2.821 2.984) 4.122 6.142 ( -1.577 10.993 9.166) 14.399 6.373 ( -1.829 -10.357 14.727) 18.096 6.648 ( 4.065 18.059 -5.259) 19.243 7.029 ( 1.768 -18.102 -5.790) 19.088 19.717 ( -0.212 1.433 -0.098) 1.452 19.721 ( 0.001 1.173 -0.081) 1.176 19.746 ( -0.186 -1.003 -0.054) 1.021 19.747 ( -0.084 -1.245 -0.074) 1.250 19.890 ( 0.003 0.065 0.010) 0.066 19.893 ( 0.336 -0.200 -0.028) 0.392 19.949 ( -0.237 0.304 0.039) 0.387 19.959 ( -0.323 -0.632 -0.254) 0.754 25.085 ( 0.171 0.235 0.296) 0.415 25.093 ( 0.246 -0.552 0.184) 0.631 25.135 ( 0.060 -0.006 0.447) 0.451 25.139 ( -0.048 -0.302 0.383) 0.490 31.489 ( 0.068 0.297 0.039) 0.307 31.498 ( 0.061 -0.485 0.085) 0.496 31.503 ( -0.578 0.210 -0.394) 0.730 31.507 ( -0.464 -0.252 -0.255) 0.586 41.767 ( -1.283 4.440 0.688) 4.673 41.829 ( 0.742 -1.280 0.165) 1.489 41.961 ( 0.667 3.026 -1.104) 3.289 42.015 ( -3.118 -2.341 -0.679) 3.958 42.475 ( 7.658 5.836 4.851) 10.781 42.599 ( 5.860 -5.607 6.782) 10.572 43.213 ( -13.576 23.975 -21.154) 34.736 43.598 ( -8.985 -13.803 -21.270) 26.901 ======================= Grid point 109 (62/96) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 7.721 11.363 0.895) 13.768 1.039 ( 1.262 -18.345 -4.803) 19.006 1.595 ( 8.952 18.788 7.042) 21.971 1.920 ( 2.992 -6.857 3.259) 8.160 2.129 ( 2.660 3.249 -6.908) 8.084 2.211 ( 4.368 -7.862 -1.762) 9.166 2.396 ( 1.836 10.805 7.682) 13.384 2.528 ( 0.977 -0.451 7.346) 7.424 2.645 ( 7.968 14.825 2.732) 17.051 2.923 ( 6.885 0.769 -6.177) 9.281 2.938 ( 6.684 -5.887 -0.697) 8.934 3.039 ( 5.077 -6.704 -0.951) 8.463 3.103 ( -0.364 5.570 2.690) 6.196 3.216 ( -0.287 -4.884 -1.239) 5.047 3.332 ( 0.637 4.034 2.161) 4.621 3.437 ( -1.149 3.987 0.681) 4.205 3.445 ( 0.629 -5.111 -1.406) 5.338 3.490 ( -0.872 -0.060 0.131) 0.884 3.548 ( 1.230 -3.122 1.433) 3.649 3.574 ( 0.606 -4.592 -0.295) 4.641 3.695 ( 2.996 1.282 -0.734) 3.341 3.752 ( 3.839 -3.167 -0.978) 5.072 3.823 ( -0.534 2.736 0.373) 2.813 3.915 ( 2.046 -4.889 1.345) 5.468 3.941 ( 1.132 -1.227 -0.910) 1.901 3.995 ( 0.002 -5.613 -1.914) 5.930 4.055 ( -3.676 7.627 1.320) 8.569 4.218 ( -1.927 -4.281 -4.560) 6.545 4.329 ( -0.283 1.916 2.870) 3.462 4.417 ( -0.628 -2.709 -1.103) 2.991 4.470 ( 1.072 -1.620 -0.684) 2.059 4.520 ( 2.043 -3.619 -1.514) 4.423 4.646 ( 1.353 2.462 -0.999) 2.982 4.693 ( 1.083 -1.940 -0.859) 2.382 4.809 ( -4.010 3.126 -4.100) 6.532 4.901 ( -2.716 -5.276 -1.939) 6.243 5.036 ( 2.978 1.584 -1.210) 3.584 5.069 ( 7.993 -1.696 -1.225) 8.262 5.366 ( -3.675 8.395 3.070) 9.664 5.383 ( 4.337 8.074 -5.194) 10.534 5.488 ( -3.778 -3.655 1.732) 5.535 5.546 ( 3.764 -6.526 -5.892) 9.564 5.676 ( -1.092 2.225 4.649) 5.269 5.715 ( -3.572 -1.131 5.366) 6.545 6.133 ( -1.781 8.749 6.851) 11.254 6.331 ( -6.556 -9.283 13.582) 17.710 6.630 ( -3.672 17.392 -5.088) 18.489 6.968 ( -4.931 -14.357 -6.613) 16.559 19.702 ( -0.919 1.022 0.151) 1.383 19.714 ( -0.673 0.464 0.170) 0.835 19.732 ( -0.612 -0.579 -0.249) 0.879 19.743 ( -0.554 -0.933 -0.005) 1.085 19.896 ( 0.426 0.388 0.062) 0.579 19.905 ( 0.581 -0.421 0.198) 0.744 19.966 ( 1.867 0.440 -0.125) 1.922 19.977 ( 2.010 -0.523 -0.521) 2.142 25.087 ( 0.010 0.216 0.146) 0.261 25.094 ( -0.133 -0.374 -0.065) 0.402 25.134 ( -0.170 0.217 0.336) 0.435 25.143 ( 0.096 -0.687 0.588) 0.910 31.485 ( -0.480 0.313 -0.155) 0.594 31.491 ( -0.532 -0.228 -0.299) 0.652 31.497 ( 0.022 0.131 0.113) 0.174 31.505 ( 0.089 -0.480 0.113) 0.501 41.662 ( -7.253 7.040 1.336) 10.195 41.785 ( -4.521 -4.162 0.342) 6.155 42.032 ( 3.867 2.128 1.204) 4.575 42.088 ( 8.952 -3.371 -0.431) 9.575 42.670 ( 7.453 6.772 6.548) 12.012 42.779 ( 9.822 -3.696 8.972) 13.807 42.974 ( -1.810 23.454 -19.482) 30.544 43.372 ( -6.428 -14.389 -21.672) 26.797 ======================= Grid point 110 (63/96) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 16.171 4.672 1.568) 16.905 1.152 ( 10.999 -12.697 -3.193) 17.100 1.819 ( 9.674 13.467 3.833) 17.019 2.008 ( 5.056 -3.725 1.023) 6.363 2.163 ( 2.532 3.914 -5.034) 6.861 2.296 ( 4.571 -8.065 -3.513) 9.914 2.492 ( 4.588 9.168 7.609) 12.767 2.575 ( 1.444 0.932 3.907) 4.268 2.844 ( 10.493 7.441 0.975) 12.900 2.988 ( 2.908 -3.404 -5.847) 7.364 3.012 ( -2.839 0.473 -3.704) 4.690 3.054 ( 0.794 -3.677 -4.808) 6.105 3.188 ( 4.839 4.649 -0.290) 6.717 3.249 ( 4.223 -1.099 -1.529) 4.624 3.301 ( -0.883 -0.132 0.646) 1.102 3.337 ( -2.588 0.030 -4.875) 5.519 3.452 ( -2.429 -2.528 2.226) 4.153 3.473 ( 0.851 -6.066 2.105) 6.477 3.604 ( 4.498 -0.234 1.954) 4.909 3.632 ( 3.984 -1.618 0.765) 4.367 3.769 ( 3.278 4.339 -0.198) 5.441 3.830 ( -0.195 -1.811 3.794) 4.208 3.877 ( 0.018 -0.215 1.656) 1.670 3.917 ( -0.300 -2.627 1.419) 3.000 3.978 ( 2.522 -0.661 1.476) 2.996 4.016 ( 3.084 -1.077 1.103) 3.448 4.079 ( 4.302 0.972 3.488) 5.623 4.191 ( 3.092 -2.443 -0.052) 3.941 4.290 ( -3.830 1.139 1.229) 4.181 4.411 ( 0.616 -4.498 0.429) 4.561 4.470 ( 0.207 1.291 -3.546) 3.780 4.564 ( 1.070 -4.891 0.401) 5.023 4.656 ( 0.190 2.417 -2.341) 3.370 4.690 ( 0.191 -0.861 -0.367) 0.955 4.769 ( 0.724 2.839 -1.554) 3.316 4.860 ( 0.005 -5.125 -1.743) 5.414 5.122 ( 5.654 7.179 -3.811) 9.901 5.244 ( 7.616 -3.084 -3.501) 8.931 5.333 ( 1.640 5.009 -0.174) 5.274 5.397 ( -2.828 1.198 2.120) 3.731 5.455 ( 0.480 3.741 -1.631) 4.110 5.572 ( -6.332 -2.547 4.794) 8.340 5.602 ( -0.251 -1.406 -1.092) 1.798 5.655 ( -3.629 -3.393 1.945) 5.335 6.080 ( -6.039 4.101 4.946) 8.818 6.194 ( -10.385 -6.219 11.215) 16.502 6.513 ( -6.022 17.576 -4.808) 19.191 6.838 ( -6.156 -13.058 -7.096) 16.086 19.691 ( -0.184 0.705 0.481) 0.873 19.704 ( -0.340 -0.196 0.319) 0.505 19.725 ( 0.016 -0.337 -0.493) 0.597 19.731 ( -0.511 -0.681 -0.049) 0.852 19.906 ( 0.550 0.500 0.198) 0.769 19.917 ( 0.530 -0.489 0.395) 0.822 20.007 ( 2.078 0.730 -0.357) 2.231 20.019 ( 2.222 -0.355 -0.780) 2.381 25.087 ( -0.082 0.099 -0.060) 0.141 25.090 ( -0.192 -0.200 -0.183) 0.332 25.132 ( -0.109 0.426 0.347) 0.560 25.144 ( -0.161 -0.682 0.588) 0.915 31.477 ( -0.136 0.234 -0.285) 0.393 31.482 ( -0.233 -0.207 -0.281) 0.419 31.499 ( 0.097 0.265 0.273) 0.393 31.507 ( 0.062 -0.385 0.238) 0.457 41.536 ( -5.824 6.816 2.784) 9.387 41.677 ( -6.414 -5.854 2.267) 8.975 42.120 ( 3.537 6.068 -0.406) 7.035 42.221 ( 3.575 -4.144 0.785) 5.529 42.715 ( -0.714 9.297 -0.324) 9.330 42.864 ( -2.464 -4.460 5.893) 7.790 43.174 ( 19.318 7.631 -9.142) 22.693 43.340 ( 10.675 -7.705 -16.006) 20.725 ======================= Grid point 111 (64/96) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 17.033 2.008 1.913) 17.258 1.407 ( 14.140 -7.707 -1.746) 16.199 1.936 ( 1.348 9.440 0.796) 9.569 2.087 ( 2.166 -4.713 -0.359) 5.200 2.229 ( 5.879 7.690 -3.928) 10.447 2.330 ( -1.218 -1.517 -5.898) 6.210 2.556 ( 0.275 1.653 6.977) 7.175 2.621 ( 1.558 -1.889 5.002) 5.569 2.904 ( -2.499 2.042 -3.494) 4.756 2.985 ( -0.135 -5.191 -3.768) 6.416 3.019 ( 1.126 -2.213 -5.159) 5.725 3.036 ( 1.593 -3.721 -5.173) 6.568 3.208 ( -1.080 3.738 -1.980) 4.366 3.305 ( 1.827 4.146 -4.213) 6.187 3.324 ( 0.040 -5.131 -4.004) 6.509 3.349 ( 3.151 -0.852 -0.550) 3.311 3.462 ( 5.261 3.428 4.727) 7.859 3.574 ( 6.448 -4.006 4.969) 9.073 3.669 ( -3.276 3.513 1.498) 5.032 3.706 ( 4.454 -0.226 -0.347) 4.474 3.749 ( -0.688 2.347 -0.572) 2.512 3.801 ( -2.875 -2.787 1.418) 4.248 3.869 ( 3.692 1.483 2.558) 4.730 3.965 ( 1.907 -5.345 1.446) 5.857 4.024 ( 1.002 0.844 2.202) 2.562 4.090 ( 2.361 -2.586 0.580) 3.550 4.148 ( 1.655 5.085 5.783) 7.877 4.234 ( -0.220 -0.769 0.782) 1.118 4.334 ( 6.785 0.526 2.509) 7.254 4.444 ( 1.959 -7.562 3.951) 8.754 4.491 ( 2.999 3.131 -1.342) 4.538 4.544 ( -0.874 -1.140 -0.913) 1.702 4.684 ( 2.356 0.725 -1.455) 2.862 4.698 ( 0.110 -1.020 -2.021) 2.266 4.798 ( 3.222 4.235 -1.076) 5.429 4.907 ( 4.608 -5.791 -2.326) 7.758 5.164 ( -0.825 5.359 3.096) 6.244 5.276 ( -3.826 -3.747 1.413) 5.538 5.347 ( -3.380 6.681 2.711) 7.963 5.428 ( 2.421 3.697 -1.392) 4.633 5.440 ( -4.475 -0.554 4.172) 6.143 5.504 ( 8.401 -2.298 -6.248) 10.719 5.577 ( -3.757 -0.564 -0.211) 3.805 5.596 ( -2.453 -3.182 -2.506) 4.735 5.953 ( -5.952 2.809 3.821) 7.610 6.046 ( -5.894 -6.218 5.672) 10.275 6.373 ( -7.286 16.200 -3.488) 18.102 6.669 ( -9.812 -11.851 -5.355) 16.291 19.696 ( 0.421 0.365 0.600) 0.818 19.704 ( 0.280 -0.150 0.371) 0.488 19.723 ( -0.286 -0.315 -0.172) 0.459 19.729 ( 0.477 -0.697 -0.630) 1.054 19.919 ( 0.721 0.404 0.296) 0.878 19.928 ( 0.455 -0.384 0.460) 0.752 20.039 ( 1.245 0.942 -0.472) 1.631 20.053 ( 1.343 -0.265 -0.853) 1.613 25.085 ( -0.067 0.031 -0.187) 0.202 25.086 ( -0.138 -0.090 -0.209) 0.266 25.132 ( -0.041 0.393 0.365) 0.538 25.141 ( -0.237 -0.486 0.505) 0.740 31.480 ( 0.469 0.133 -0.250) 0.548 31.482 ( 0.360 -0.089 -0.256) 0.451 31.501 ( -0.015 0.301 0.261) 0.399 31.508 ( -0.062 -0.288 0.202) 0.357 41.456 ( -3.132 4.473 3.224) 6.341 41.563 ( -5.634 -5.122 3.470) 8.367 42.128 ( -1.922 7.538 -2.048) 8.044 42.235 ( -1.967 -3.621 -0.493) 4.150 42.698 ( -1.039 6.604 2.399) 7.103 42.851 ( 1.172 -8.173 1.844) 8.460 43.508 ( 15.898 5.199 -6.962) 18.118 43.600 ( 16.372 -3.738 -8.575) 18.856 ======================= Grid point 112 (65/96) ======================= q-point: ( 0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 12.026 0.329 2.493) 12.286 1.632 ( 7.300 -2.317 0.941) 7.716 1.885 ( -5.808 7.793 -3.359) 10.283 2.075 ( -3.723 -9.752 -4.485) 11.362 2.236 ( -0.923 10.287 -2.542) 10.637 2.379 ( 7.224 0.475 -3.153) 7.897 2.571 ( -1.152 0.065 5.160) 5.287 2.643 ( 0.641 -0.760 3.162) 3.314 2.807 ( -7.102 3.281 -1.267) 7.925 2.945 ( -6.269 -8.127 -1.546) 10.380 3.019 ( 2.355 -2.192 -2.928) 4.350 3.029 ( 0.178 -2.987 -5.419) 6.191 3.241 ( 4.719 0.866 -2.054) 5.219 3.295 ( -1.276 -2.844 -1.979) 3.693 3.346 ( 3.766 0.018 -1.728) 4.144 3.393 ( 3.466 -3.643 -3.180) 5.950 3.534 ( -5.442 3.906 0.878) 6.756 3.574 ( -2.174 -0.087 1.735) 2.783 3.673 ( 1.729 0.555 1.588) 2.412 3.705 ( 1.390 -0.759 2.342) 2.828 3.834 ( 5.875 1.195 -2.729) 6.587 3.843 ( 3.829 -0.141 -1.516) 4.121 3.949 ( 2.640 0.566 2.457) 3.650 3.973 ( 0.191 -1.904 2.657) 3.274 4.040 ( 0.978 2.833 1.925) 3.562 4.125 ( 1.610 -4.471 -2.895) 5.564 4.187 ( 1.009 4.912 5.075) 7.134 4.258 ( -1.378 -0.027 2.055) 2.474 4.388 ( -0.885 -0.173 7.317) 7.372 4.446 ( -3.532 -5.296 8.249) 10.420 4.552 ( 1.679 2.885 -0.027) 3.338 4.595 ( 4.899 -0.948 -1.765) 5.293 4.696 ( 3.147 2.140 -4.199) 5.667 4.754 ( 3.152 -1.261 -1.524) 3.722 4.881 ( 4.771 5.567 -3.522) 8.133 4.935 ( -2.553 0.024 -2.077) 3.291 5.169 ( -1.591 2.131 1.440) 3.025 5.216 ( -2.116 3.054 1.721) 4.095 5.295 ( 4.443 -2.596 6.092) 7.975 5.332 ( -4.818 -1.407 4.532) 6.763 5.420 ( -5.391 1.960 -0.139) 5.738 5.485 ( -5.071 -4.234 -0.565) 6.630 5.610 ( 4.664 1.116 -2.257) 5.301 5.652 ( 5.716 -2.339 -3.983) 7.349 5.922 ( 1.919 3.384 1.351) 4.118 6.007 ( 0.614 -4.860 0.693) 4.947 6.212 ( -7.577 10.840 -2.416) 13.444 6.422 ( -13.597 -8.714 -3.134) 16.452 19.702 ( -0.087 0.013 0.408) 0.417 19.711 ( -0.211 -0.838 0.558) 1.029 19.720 ( 0.363 0.763 -0.359) 0.918 19.739 ( 0.657 -0.927 -0.584) 1.277 19.934 ( 0.599 0.233 0.465) 0.793 19.938 ( 0.618 -0.143 0.415) 0.758 20.052 ( 0.279 1.009 -0.566) 1.190 20.066 ( 0.330 -0.217 -0.911) 0.993 25.083 ( -0.123 0.013 -0.199) 0.235 25.083 ( -0.063 -0.021 -0.195) 0.206 25.133 ( 0.037 0.211 0.378) 0.435 25.138 ( -0.205 -0.266 0.404) 0.526 31.491 ( 0.454 0.030 -0.060) 0.459 31.492 ( 0.435 -0.064 -0.036) 0.441 31.502 ( 0.211 0.340 -0.027) 0.401 31.507 ( 0.141 -0.186 -0.066) 0.243 41.437 ( 0.283 1.668 3.201) 3.621 41.489 ( -2.649 -2.944 3.986) 5.619 42.080 ( -1.594 5.876 -1.945) 6.391 42.168 ( -3.276 -2.879 -2.135) 4.856 42.695 ( -0.940 7.446 3.511) 8.285 42.871 ( -0.859 -9.701 2.841) 10.144 43.737 ( 9.352 7.237 -6.678) 13.581 43.870 ( 12.657 -5.544 -6.930) 15.458 ======================= Grid point 113 (66/96) ======================= q-point: (-0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -11.502 3.903 1.214) 12.207 1.686 ( -5.063 -3.008 0.951) 5.966 1.847 ( 6.624 5.164 -2.583) 8.787 1.996 ( -0.199 -8.941 -7.025) 11.373 2.245 ( -1.484 8.454 2.439) 8.923 2.378 ( -9.053 -1.485 0.542) 9.190 2.597 ( 2.416 5.083 0.833) 5.690 2.653 ( 1.382 5.468 -2.310) 6.095 2.683 ( -5.997 -1.540 1.970) 6.498 2.834 ( -1.870 -7.915 -0.644) 8.159 3.003 ( -0.397 0.049 -3.875) 3.895 3.087 ( 4.380 -4.841 -3.286) 7.309 3.216 ( -4.302 0.409 -5.038) 6.638 3.288 ( 1.015 -5.543 -0.504) 5.658 3.405 ( -3.418 2.053 -0.980) 4.106 3.461 ( -1.991 -3.166 0.664) 3.799 3.526 ( 8.722 0.884 -1.260) 8.857 3.549 ( 6.885 -0.729 1.189) 7.025 3.682 ( -2.334 1.449 1.178) 2.989 3.721 ( -1.031 -2.022 1.221) 2.577 3.872 ( -0.007 0.962 -1.291) 1.610 3.902 ( 0.497 -0.250 -1.144) 1.272 3.953 ( -3.025 3.683 4.220) 6.366 4.048 ( 0.977 -3.225 6.378) 7.213 4.058 ( 1.248 3.561 0.525) 3.809 4.131 ( 0.926 -4.204 -4.113) 5.954 4.196 ( -0.135 1.997 1.114) 2.291 4.215 ( 0.540 0.311 -0.312) 0.697 4.375 ( -4.699 -2.412 7.448) 9.130 4.402 ( -1.593 -4.942 6.540) 8.350 4.557 ( -1.835 3.050 -2.647) 4.436 4.604 ( -1.734 -1.590 -2.753) 3.621 4.719 ( -5.778 3.570 -3.017) 7.432 4.752 ( -1.173 0.289 -3.425) 3.632 4.873 ( -2.045 3.129 6.099) 7.153 4.927 ( 1.749 0.259 -0.115) 1.772 5.106 ( -5.686 6.985 3.044) 9.507 5.249 ( -2.383 -2.810 2.929) 4.706 5.288 ( 5.103 9.759 2.113) 11.214 5.380 ( 4.634 2.435 1.213) 5.373 5.403 ( 1.424 -1.603 -4.747) 5.209 5.546 ( 11.826 -6.826 -5.018) 14.548 5.640 ( 0.395 -0.728 1.939) 2.109 5.682 ( -2.266 -3.038 0.455) 3.817 5.991 ( 1.665 1.401 2.164) 3.069 6.036 ( -0.588 -0.592 3.951) 4.039 6.129 ( 2.954 -0.701 -4.408) 5.352 6.170 ( -8.109 -2.752 -3.449) 9.232 19.696 ( -0.511 -0.233 0.304) 0.639 19.700 ( -0.764 -0.716 0.350) 1.104 19.729 ( 0.337 0.752 -0.215) 0.852 19.748 ( 0.354 -0.931 -0.449) 1.093 19.943 ( 0.156 0.621 0.418) 0.765 19.953 ( 0.514 -0.415 0.433) 0.790 20.047 ( -0.591 1.103 -0.622) 1.397 20.063 ( -0.330 -0.331 -0.976) 1.083 25.079 ( -0.165 0.108 -0.142) 0.242 25.081 ( -0.080 -0.082 -0.147) 0.186 25.135 ( 0.070 -0.019 0.394) 0.401 25.135 ( -0.109 -0.040 0.336) 0.356 31.489 ( -0.294 0.183 -0.053) 0.350 31.494 ( -0.134 -0.257 -0.042) 0.293 31.512 ( 0.674 0.397 -0.130) 0.793 31.519 ( 0.826 -0.195 -0.234) 0.880 41.464 ( 1.046 1.388 3.529) 3.934 41.505 ( 3.422 -2.254 3.612) 5.462 42.065 ( 0.485 4.419 -1.424) 4.668 42.133 ( 0.869 -1.583 -2.340) 2.956 42.654 ( -4.532 6.368 3.100) 8.408 42.815 ( -5.747 -9.291 2.841) 11.288 43.838 ( 3.220 10.493 -7.561) 13.328 44.043 ( 7.025 -9.061 -7.951) 13.953 ======================= Grid point 114 (67/96) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -13.865 7.877 0.314) 15.950 1.539 ( -8.210 -10.170 -1.609) 13.169 1.967 ( 4.006 1.451 -0.702) 4.318 2.006 ( -0.946 -1.641 -1.793) 2.608 2.102 ( -8.185 5.863 1.063) 10.124 2.193 ( -8.310 -0.151 2.013) 8.552 2.563 ( -4.529 7.836 0.893) 9.095 2.612 ( -3.165 0.022 -1.343) 3.438 2.678 ( 1.205 3.222 -2.284) 4.129 2.801 ( -2.819 -5.513 -0.995) 6.272 3.017 ( 1.798 -0.156 -2.002) 2.695 3.080 ( -2.620 -4.207 -7.493) 8.984 3.221 ( 3.813 2.345 -0.133) 4.478 3.304 ( -2.133 -3.303 1.569) 4.234 3.351 ( 1.795 -1.655 -4.152) 4.817 3.388 ( -3.556 -2.644 -1.683) 4.739 3.584 ( -5.530 4.728 0.012) 7.276 3.669 ( -1.996 -3.128 1.897) 4.168 3.698 ( 3.656 0.105 2.548) 4.458 3.713 ( 4.054 -0.525 6.658) 7.813 3.813 ( -7.510 6.452 2.389) 10.185 3.849 ( -4.127 -1.467 -0.662) 4.430 3.921 ( 0.623 -3.837 1.779) 4.275 4.006 ( -3.101 -5.966 5.551) 8.719 4.044 ( -3.554 4.531 0.347) 5.769 4.123 ( -2.078 -2.429 -0.006) 3.197 4.244 ( 1.308 3.167 -1.041) 3.581 4.279 ( 0.930 -0.045 6.621) 6.686 4.314 ( 2.773 0.058 -8.109) 8.571 4.353 ( -3.721 -4.288 1.301) 5.825 4.463 ( -6.020 2.815 -1.198) 6.753 4.530 ( -3.916 -3.321 1.164) 5.265 4.615 ( -1.652 3.766 -3.211) 5.218 4.694 ( -2.341 -3.060 -4.208) 5.705 4.880 ( 1.032 2.269 3.278) 4.118 4.944 ( -0.573 -2.464 1.709) 3.053 5.033 ( -1.554 6.378 -1.196) 6.672 5.172 ( -4.701 -5.091 0.962) 6.995 5.317 ( -0.316 6.665 0.310) 6.680 5.400 ( -2.863 -0.947 -0.695) 3.095 5.573 ( -3.633 -0.250 0.535) 3.681 5.590 ( 2.043 -1.170 3.568) 4.275 5.692 ( 15.036 8.145 -4.822) 17.768 5.775 ( 4.512 -1.296 1.019) 4.804 5.930 ( -4.275 5.282 6.387) 9.325 6.047 ( 2.272 -3.445 5.310) 6.725 6.135 ( 3.534 3.368 -4.341) 6.533 6.319 ( 14.531 -12.561 -4.032) 19.626 19.686 ( -0.557 -0.245 0.473) 0.770 19.691 ( -0.172 -0.632 0.258) 0.704 19.731 ( 0.030 0.724 -0.320) 0.792 19.750 ( 0.069 -0.933 -0.371) 1.006 19.941 ( -0.491 0.864 0.274) 1.030 19.956 ( -0.424 -0.648 0.418) 0.880 20.028 ( -1.164 1.264 -0.603) 1.821 20.048 ( -0.933 -0.594 -1.027) 1.510 25.076 ( -0.108 0.161 -0.022) 0.195 25.079 ( -0.081 -0.138 -0.043) 0.166 25.134 ( -0.093 0.176 0.283) 0.346 25.138 ( 0.092 -0.235 0.435) 0.503 31.484 ( -0.166 0.283 -0.211) 0.390 31.491 ( -0.056 -0.394 -0.203) 0.447 31.522 ( 0.307 0.502 -0.080) 0.594 31.531 ( 0.385 -0.296 -0.265) 0.554 41.515 ( 3.140 4.481 3.636) 6.570 41.609 ( 5.553 -4.048 3.114) 7.544 42.086 ( 1.957 5.605 -1.522) 6.129 42.181 ( 3.731 -2.460 -0.795) 4.539 42.539 ( -7.273 4.576 1.477) 8.719 42.670 ( -9.290 -8.183 2.052) 12.549 43.830 ( -1.194 12.960 -10.293) 16.593 44.097 ( 1.152 -12.441 -11.204) 16.782 ======================= Grid point 115 (68/96) ======================= q-point: (-0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -12.561 12.014 1.080) 17.414 1.385 ( -6.938 -15.993 -1.874) 17.533 1.806 ( -11.271 8.312 3.795) 14.509 1.946 ( -6.306 -4.420 4.488) 8.913 2.113 ( 2.819 4.522 -4.444) 6.938 2.182 ( 5.930 0.480 -1.002) 6.033 2.448 ( -6.589 5.082 -0.127) 8.322 2.520 ( -5.143 -1.677 1.272) 5.557 2.677 ( -0.900 2.085 -5.463) 5.917 2.742 ( -1.450 -2.514 -1.450) 3.244 2.993 ( -1.848 5.466 -1.573) 5.981 3.039 ( -6.688 4.299 1.040) 8.018 3.150 ( -4.752 -1.171 -0.786) 4.956 3.220 ( -7.760 -4.837 0.354) 9.151 3.353 ( -0.398 1.944 1.688) 2.605 3.420 ( 1.195 -0.904 1.112) 1.867 3.534 ( 0.954 -2.582 -3.327) 4.318 3.557 ( -7.981 -2.515 5.110) 9.805 3.644 ( -8.587 3.947 3.088) 9.942 3.670 ( -6.794 2.315 0.829) 7.225 3.734 ( -2.179 1.075 3.168) 3.992 3.764 ( -1.911 -2.062 0.647) 2.885 3.973 ( -0.725 -3.877 7.855) 8.790 4.002 ( 3.115 -1.849 -0.378) 3.642 4.031 ( 0.857 -2.449 -1.646) 3.072 4.071 ( 0.110 -2.056 -0.141) 2.064 4.204 ( -1.129 2.742 -2.180) 3.680 4.284 ( -1.738 -4.337 3.678) 5.947 4.324 ( -0.532 0.531 -4.726) 4.785 4.358 ( 1.413 -3.120 -4.809) 5.904 4.378 ( -2.686 5.671 -1.467) 6.444 4.487 ( -1.557 -3.326 -0.475) 3.703 4.609 ( 1.000 1.630 -1.914) 2.706 4.669 ( 1.308 -3.145 -3.980) 5.238 4.914 ( 0.634 -0.199 0.155) 0.682 4.925 ( -1.345 -1.035 1.371) 2.182 5.021 ( 0.939 4.941 -4.153) 6.522 5.126 ( 1.123 -4.884 -4.148) 6.505 5.258 ( -4.573 4.108 0.902) 6.213 5.315 ( -3.132 -1.636 1.418) 3.807 5.519 ( -1.733 5.692 0.275) 5.956 5.633 ( -0.806 -3.666 0.784) 3.834 5.775 ( -2.841 2.867 6.917) 8.008 5.785 ( -3.670 1.832 5.920) 7.202 6.065 ( 8.591 4.609 0.855) 9.786 6.143 ( 7.241 4.087 6.162) 10.349 6.255 ( 10.452 8.430 -1.695) 13.535 6.627 ( 16.996 -19.521 -5.183) 26.397 19.684 ( 0.321 0.353 0.436) 0.646 19.697 ( 0.804 -0.601 0.220) 1.028 19.730 ( 0.038 0.572 -0.346) 0.669 19.750 ( 0.082 -1.039 -0.289) 1.081 19.924 ( -1.221 0.791 0.183) 1.466 19.938 ( -1.386 -0.677 0.374) 1.587 19.999 ( -1.526 1.147 -0.539) 1.984 20.020 ( -1.604 -0.736 -0.969) 2.014 25.076 ( 0.116 0.096 0.186) 0.240 25.079 ( 0.049 -0.133 0.112) 0.181 25.133 ( -0.080 0.329 0.264) 0.429 25.141 ( -0.004 -0.382 0.448) 0.589 31.483 ( 0.102 0.309 -0.225) 0.396 31.491 ( 0.132 -0.497 -0.202) 0.552 31.523 ( -0.188 0.473 -0.137) 0.527 31.531 ( -0.275 -0.257 -0.366) 0.525 41.601 ( 4.421 6.562 3.415) 8.618 41.720 ( 4.550 -4.113 2.433) 6.598 42.111 ( -0.222 6.728 -0.988) 6.803 42.221 ( -1.309 -1.881 -0.259) 2.306 42.429 ( -2.600 0.178 0.447) 2.644 42.493 ( -7.637 -5.476 1.612) 9.535 43.738 ( -4.696 13.379 -15.141) 20.743 44.020 ( -4.986 -13.571 -16.245) 21.747 ======================= Grid point 116 (69/96) ======================= q-point: (-0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -10.994 16.370 0.223) 19.720 1.245 ( -6.900 -20.228 -2.938) 21.573 1.634 ( -8.715 14.057 8.515) 18.602 1.870 ( -2.335 -6.126 4.428) 7.911 2.112 ( -0.875 5.502 -6.066) 8.236 2.254 ( -0.870 -4.415 -4.934) 6.678 2.369 ( -0.045 5.112 3.584) 6.243 2.462 ( -1.548 -2.181 5.052) 5.717 2.671 ( 2.709 3.712 -4.567) 6.479 2.715 ( -1.891 4.308 1.029) 4.816 2.794 ( -12.455 8.933 5.119) 16.159 2.967 ( -1.837 6.034 2.270) 6.704 3.071 ( -0.817 -3.591 -0.714) 3.752 3.168 ( 0.881 -8.981 2.984) 9.505 3.291 ( -4.272 0.993 2.113) 4.868 3.391 ( -2.957 -3.727 1.044) 4.870 3.493 ( -1.376 -1.242 2.092) 2.795 3.500 ( -2.412 1.659 -0.274) 2.940 3.543 ( -4.415 1.595 -1.232) 4.853 3.584 ( -0.772 -3.151 2.350) 4.006 3.722 ( -0.943 -1.694 -0.013) 1.939 3.731 ( 0.100 -0.014 -1.789) 1.792 3.939 ( -1.918 0.276 1.270) 2.317 4.011 ( -2.157 -1.146 -3.992) 4.680 4.052 ( 0.341 0.166 -1.539) 1.585 4.117 ( 0.361 0.674 -1.818) 1.972 4.211 ( -2.994 -1.244 -3.478) 4.754 4.237 ( 0.889 0.407 2.753) 2.921 4.296 ( -0.726 -3.089 -1.107) 3.361 4.325 ( -0.807 -4.096 -3.771) 5.626 4.381 ( 1.474 -0.118 -1.194) 1.901 4.437 ( -0.161 -5.249 -0.810) 5.313 4.629 ( 0.720 3.275 -1.764) 3.789 4.685 ( 0.335 -2.040 -2.869) 3.537 4.887 ( -0.859 0.237 -0.565) 1.055 4.925 ( -0.003 -2.643 -1.800) 3.198 5.052 ( 0.511 3.691 -0.831) 3.817 5.095 ( -2.396 -0.100 1.511) 2.835 5.250 ( 0.640 2.340 -0.131) 2.429 5.331 ( 6.808 -4.302 -4.747) 9.348 5.505 ( 0.826 6.546 -0.498) 6.616 5.560 ( -5.108 1.935 -0.045) 5.462 5.707 ( -5.032 2.489 4.965) 7.495 5.749 ( -2.121 -1.182 5.491) 6.004 6.133 ( 0.397 8.900 6.846) 11.236 6.311 ( 4.339 -6.988 12.287) 14.786 6.495 ( 12.441 17.426 -5.019) 21.992 6.908 ( 11.969 -20.721 -5.453) 24.543 19.701 ( 1.195 1.124 0.181) 1.650 19.718 ( 0.835 0.687 -0.001) 1.081 19.733 ( 0.543 -0.632 -0.219) 0.861 19.751 ( 0.028 -1.213 -0.168) 1.225 19.899 ( -1.126 0.433 0.126) 1.213 19.908 ( -1.548 -0.479 0.247) 1.639 19.968 ( -1.434 0.689 -0.313) 1.622 19.983 ( -1.713 -0.718 -0.650) 1.968 25.080 ( 0.187 0.084 0.283) 0.349 25.084 ( 0.439 -0.309 0.331) 0.631 25.133 ( -0.008 0.324 0.307) 0.447 25.141 ( -0.138 -0.398 0.414) 0.591 31.486 ( 0.236 0.266 -0.108) 0.372 31.494 ( 0.205 -0.521 -0.074) 0.565 31.515 ( -0.514 0.331 -0.251) 0.661 31.520 ( -0.624 -0.142 -0.396) 0.752 41.702 ( 4.790 6.097 2.584) 8.173 41.793 ( 2.408 -2.135 1.543) 3.569 42.041 ( -5.535 4.930 -0.983) 7.477 42.132 ( -6.339 -2.947 -3.083) 7.640 42.385 ( 0.092 3.428 2.588) 4.296 42.492 ( 3.608 -5.804 4.556) 8.214 43.537 ( -11.211 15.714 -20.628) 28.251 43.828 ( -8.417 -12.351 -19.989) 24.959 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -10.868 0.000 17.014) 20.189 1.223 ( 7.397 0.000 17.166) 18.692 1.502 ( 10.339 0.000 -12.892) 16.526 1.576 ( -9.583 0.000 -17.885) 20.290 1.724 ( -15.770 0.000 12.016) 19.826 1.915 ( 10.946 0.000 -6.439) 12.699 2.219 ( -3.345 0.000 7.285) 8.016 2.420 ( 6.506 0.000 -11.556) 13.261 2.833 ( -9.918 0.000 9.891) 14.007 2.866 ( 11.645 0.000 2.569) 11.925 2.982 ( 1.443 0.000 7.562) 7.699 3.103 ( 1.463 0.000 4.486) 4.719 3.123 ( -3.877 0.000 -2.530) 4.630 3.202 ( 2.139 0.000 -4.638) 5.107 3.276 ( 4.654 0.000 4.374) 6.386 3.363 ( -0.522 0.000 -2.336) 2.394 3.460 ( -2.525 0.000 4.161) 4.867 3.524 ( 0.643 0.000 -2.341) 2.428 3.578 ( -1.729 0.000 1.056) 2.026 3.627 ( -5.227 0.000 0.065) 5.227 3.673 ( -0.015 0.000 -8.224) 8.224 3.708 ( 7.677 0.000 -6.845) 10.285 3.828 ( 1.215 0.000 1.462) 1.901 3.856 ( -2.967 0.000 -0.302) 2.983 3.962 ( -2.979 0.000 1.757) 3.459 4.097 ( 2.332 0.000 -11.140) 11.381 4.211 ( 2.639 0.000 4.446) 5.170 4.295 ( -1.930 0.000 -4.565) 4.956 4.320 ( -3.839 0.000 -0.135) 3.841 4.334 ( 1.644 0.000 -1.283) 2.085 4.604 ( 4.156 0.000 3.453) 5.403 4.625 ( -1.551 0.000 -0.135) 1.557 4.649 ( -5.596 0.000 5.553) 7.884 4.780 ( 7.247 0.000 -3.363) 7.989 4.891 ( -1.982 0.000 0.142) 1.987 4.935 ( -1.614 0.000 -0.938) 1.867 5.052 ( -14.832 0.000 1.603) 14.918 5.055 ( 10.497 0.000 1.953) 10.677 5.149 ( 8.552 0.000 -0.611) 8.574 5.194 ( 0.304 0.000 -3.599) 3.612 5.395 ( -4.277 0.000 5.214) 6.744 5.488 ( 3.116 0.000 -2.530) 4.014 5.597 ( -1.979 0.000 0.020) 1.979 5.654 ( 1.717 0.000 -4.351) 4.677 5.954 ( 0.281 0.000 7.052) 7.057 6.072 ( 1.632 0.000 -4.269) 4.571 7.026 ( 0.599 0.000 15.940) 15.951 7.317 ( -3.245 0.000 -12.433) 12.849 19.688 ( 0.034 0.000 0.174) 0.178 19.691 ( 0.039 0.000 -0.127) 0.133 19.763 ( -0.126 0.000 -0.054) 0.138 19.763 ( 0.086 0.000 -0.091) 0.125 19.894 ( -0.910 0.000 -0.045) 0.911 19.894 ( 0.923 0.000 -0.073) 0.926 19.961 ( 0.012 0.000 0.508) 0.508 19.970 ( -0.239 0.000 -0.394) 0.461 25.089 ( 0.058 0.000 0.420) 0.424 25.099 ( -0.062 0.000 -0.501) 0.505 25.153 ( -0.925 0.000 0.427) 1.018 25.160 ( 1.363 0.000 -0.276) 1.391 31.491 ( -0.741 0.000 0.046) 0.742 31.492 ( 0.657 0.000 -0.036) 0.658 31.513 ( -0.178 0.000 0.206) 0.272 31.518 ( 0.142 0.000 -0.264) 0.299 41.555 ( 4.869 0.000 1.939) 5.241 41.595 ( -5.459 0.000 -1.897) 5.779 41.934 ( -5.769 0.000 2.913) 6.463 42.003 ( 1.861 0.000 -3.639) 4.087 42.397 ( -1.497 0.000 2.422) 2.848 42.419 ( -2.288 0.000 0.193) 2.296 43.054 ( 5.872 0.000 17.146) 18.124 43.444 ( -7.074 0.000 -20.557) 21.740 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.644 0.000 11.269) 11.388 1.351 ( -0.644 0.000 16.977) 16.989 1.396 ( -3.353 0.000 -13.532) 13.941 1.669 ( 11.675 0.000 13.471) 17.826 1.800 ( 19.597 0.000 -13.887) 24.019 2.136 ( 9.167 0.000 0.088) 9.167 2.182 ( -1.749 0.000 6.274) 6.514 2.513 ( 7.353 0.000 -15.038) 16.739 2.625 ( -12.227 0.000 0.651) 12.244 2.976 ( 1.158 0.000 0.558) 1.285 3.040 ( 1.858 0.000 11.258) 11.411 3.167 ( 6.175 0.000 -1.908) 6.463 3.183 ( 1.985 0.000 5.778) 6.109 3.258 ( 2.316 0.000 -5.769) 6.217 3.331 ( 2.638 0.000 -7.327) 7.787 3.362 ( 0.945 0.000 0.599) 1.119 3.417 ( -1.937 0.000 -0.021) 1.937 3.556 ( 1.828 0.000 1.134) 2.151 3.571 ( 3.701 0.000 2.215) 4.313 3.589 ( 1.865 0.000 2.110) 2.816 3.648 ( 0.357 0.000 -5.650) 5.661 3.826 ( 0.420 0.000 1.186) 1.258 3.846 ( 6.726 0.000 -3.668) 7.661 3.907 ( 5.384 0.000 2.373) 5.884 3.937 ( -0.414 0.000 5.379) 5.395 4.095 ( -0.085 0.000 -8.779) 8.779 4.227 ( -5.775 0.000 1.530) 5.974 4.261 ( 1.154 0.000 -8.253) 8.333 4.285 ( 3.271 0.000 4.157) 5.290 4.344 ( 0.266 0.000 0.528) 0.591 4.491 ( -9.739 0.000 2.769) 10.125 4.538 ( -4.930 0.000 -2.058) 5.342 4.689 ( 2.769 0.000 1.486) 3.143 4.794 ( -6.657 0.000 -1.136) 6.753 4.886 ( 3.578 0.000 -3.002) 4.670 4.944 ( 1.616 0.000 0.418) 1.669 4.983 ( 5.778 0.000 0.690) 5.819 5.058 ( -4.395 0.000 1.632) 4.688 5.171 ( -0.289 0.000 -2.103) 2.123 5.366 ( -0.951 0.000 3.141) 3.281 5.499 ( -1.185 0.000 6.072) 6.187 5.516 ( 18.520 0.000 -4.197) 18.990 5.614 ( 4.610 0.000 -4.961) 6.772 5.661 ( -0.239 0.000 -3.886) 3.893 5.931 ( -4.441 0.000 4.952) 6.652 6.047 ( -2.392 0.000 -5.684) 6.167 6.972 ( -10.655 0.000 15.863) 19.109 7.117 ( -11.768 0.000 -9.763) 15.291 19.689 ( -0.190 0.000 0.000) 0.190 19.691 ( 0.327 0.000 0.046) 0.330 19.754 ( -0.711 0.000 -0.099) 0.718 19.758 ( -0.554 0.000 0.039) 0.555 19.887 ( 0.091 0.000 -0.173) 0.195 19.918 ( 1.185 0.000 0.276) 1.217 19.974 ( 1.176 0.000 0.621) 1.330 19.976 ( 0.972 0.000 -0.422) 1.060 25.090 ( -0.116 0.000 0.327) 0.347 25.095 ( -0.188 0.000 -0.428) 0.467 25.135 ( -0.821 0.000 0.073) 0.824 25.176 ( 0.294 0.000 -0.434) 0.524 31.477 ( -0.632 0.000 0.059) 0.635 31.503 ( 0.486 0.000 0.143) 0.506 31.509 ( -0.162 0.000 0.199) 0.256 31.513 ( -0.650 0.000 -0.056) 0.653 41.484 ( -4.412 0.000 -1.447) 4.643 41.654 ( 4.365 0.000 1.462) 4.603 41.854 ( -3.602 0.000 4.358) 5.654 42.125 ( 12.729 0.000 -1.587) 12.827 42.471 ( 5.370 0.000 8.471) 10.030 42.563 ( 13.151 0.000 0.356) 13.156 43.215 ( 6.083 0.000 18.965) 19.917 43.231 ( -8.327 0.000 -19.756) 21.439 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 12.956 0.000 6.432) 14.465 1.367 ( 3.416 0.000 -9.093) 9.713 1.427 ( 5.049 0.000 12.535) 13.514 2.011 ( 16.601 0.000 -0.999) 16.631 2.174 ( 13.035 0.000 -5.798) 14.266 2.198 ( -2.248 0.000 0.767) 2.375 2.231 ( 11.996 0.000 8.902) 14.938 2.387 ( -9.444 0.000 -5.500) 10.929 2.629 ( 7.561 0.000 -15.581) 17.318 3.026 ( 3.562 0.000 -1.645) 3.924 3.098 ( -2.227 0.000 12.215) 12.416 3.161 ( -0.455 0.000 -8.520) 8.532 3.169 ( -1.953 0.000 6.769) 7.045 3.298 ( -3.303 0.000 -5.664) 6.557 3.332 ( 3.092 0.000 3.661) 4.792 3.423 ( 6.157 0.000 -4.347) 7.537 3.448 ( 3.449 0.000 2.548) 4.288 3.565 ( -1.129 0.000 -3.796) 3.960 3.631 ( 2.637 0.000 3.320) 4.240 3.685 ( 3.650 0.000 0.172) 3.654 3.768 ( 10.171 0.000 1.907) 10.349 3.873 ( -3.663 0.000 1.269) 3.877 3.880 ( 3.768 0.000 4.545) 5.903 3.995 ( 4.710 0.000 4.786) 6.715 4.017 ( 3.882 0.000 3.271) 5.077 4.097 ( -7.099 0.000 1.593) 7.276 4.122 ( 5.469 0.000 -2.046) 5.839 4.287 ( -7.062 0.000 -1.231) 7.169 4.294 ( 3.286 0.000 -10.704) 11.197 4.361 ( 2.928 0.000 -3.598) 4.639 4.397 ( 3.393 0.000 4.772) 5.855 4.478 ( 0.047 0.000 -0.226) 0.231 4.645 ( -7.175 0.000 -4.343) 8.387 4.719 ( -0.468 0.000 1.623) 1.689 4.946 ( -5.534 0.000 3.466) 6.530 4.983 ( 1.858 0.000 -4.574) 4.937 5.020 ( 10.153 0.000 -1.646) 10.286 5.109 ( 6.737 0.000 -2.130) 7.065 5.178 ( 0.373 0.000 -0.452) 0.586 5.354 ( -0.557 0.000 1.517) 1.616 5.488 ( -1.359 0.000 9.300) 9.399 5.608 ( -4.178 0.000 -4.896) 6.437 5.662 ( 2.036 0.000 -2.113) 2.934 5.776 ( 3.790 0.000 -0.787) 3.871 5.823 ( -5.361 0.000 3.356) 6.325 5.971 ( -2.982 0.000 -4.777) 5.631 6.730 ( -16.888 0.000 12.224) 20.847 6.875 ( -8.968 0.000 -10.921) 14.131 19.688 ( 0.201 0.000 0.113) 0.231 19.701 ( 0.554 0.000 0.171) 0.580 19.740 ( -0.517 0.000 -0.096) 0.526 19.748 ( -0.276 0.000 0.053) 0.281 19.893 ( 0.489 0.000 -0.247) 0.548 19.936 ( 0.570 0.000 0.748) 0.941 20.001 ( 1.493 0.000 -0.622) 1.617 20.005 ( 1.583 0.000 0.520) 1.666 25.086 ( -0.324 0.000 -0.031) 0.326 25.090 ( -0.210 0.000 -0.301) 0.367 25.125 ( -0.126 0.000 0.095) 0.158 25.172 ( -0.430 0.000 -0.151) 0.456 31.469 ( -0.131 0.000 0.048) 0.139 31.497 ( -0.800 0.000 0.310) 0.858 31.507 ( -0.073 0.000 0.441) 0.447 31.512 ( 0.258 0.000 0.128) 0.288 41.413 ( -2.455 0.000 -1.443) 2.847 41.708 ( 0.081 0.000 -2.348) 2.349 41.827 ( -0.102 0.000 7.089) 7.090 42.434 ( 15.881 0.000 -5.264) 16.731 42.587 ( 2.637 0.000 14.463) 14.701 42.754 ( 1.478 0.000 -5.209) 5.415 43.136 ( 10.324 0.000 -16.710) 19.642 43.406 ( 6.881 0.000 20.917) 22.020 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.510 0.000 -2.544) 6.070 1.600 ( 8.953 0.000 7.440) 11.641 1.646 ( 18.506 0.000 2.128) 18.628 2.051 ( -9.686 0.000 -2.989) 10.137 2.118 ( -4.476 0.000 -0.613) 4.518 2.249 ( 2.500 0.000 -2.314) 3.406 2.466 ( 15.780 0.000 -9.776) 18.562 2.620 ( 16.908 0.000 7.726) 18.589 2.691 ( 3.761 0.000 -16.019) 16.455 2.954 ( -12.396 0.000 6.895) 14.184 3.012 ( -3.206 0.000 -7.877) 8.505 3.223 ( 3.793 0.000 0.884) 3.895 3.240 ( 7.776 0.000 2.245) 8.093 3.298 ( 4.911 0.000 3.373) 5.958 3.362 ( -0.780 0.000 3.024) 3.123 3.468 ( -4.979 0.000 -4.890) 6.978 3.518 ( 1.720 0.000 -2.038) 2.667 3.532 ( 4.310 0.000 0.390) 4.328 3.666 ( -0.946 0.000 6.140) 6.212 3.743 ( 1.212 0.000 3.203) 3.425 3.811 ( -1.834 0.000 0.583) 1.924 3.891 ( -3.250 0.000 -0.946) 3.385 3.954 ( 1.805 0.000 8.518) 8.707 4.025 ( 7.840 0.000 4.176) 8.882 4.034 ( -2.129 0.000 -0.201) 2.138 4.077 ( -3.795 0.000 -3.186) 4.955 4.215 ( 2.890 0.000 5.146) 5.902 4.237 ( 6.354 0.000 0.866) 6.412 4.318 ( 2.482 0.000 -3.038) 3.923 4.458 ( -5.785 0.000 2.514) 6.308 4.498 ( 4.207 0.000 4.147) 5.907 4.505 ( 9.199 0.000 -9.238) 13.037 4.551 ( 4.323 0.000 -4.982) 6.596 4.677 ( -3.348 0.000 -0.001) 3.348 4.869 ( -2.634 0.000 1.400) 2.983 5.036 ( 4.575 0.000 -4.436) 6.372 5.123 ( -4.614 0.000 -1.472) 4.843 5.165 ( -1.093 0.000 -4.811) 4.934 5.256 ( 10.077 0.000 -4.138) 10.894 5.392 ( 2.587 0.000 -4.647) 5.319 5.450 ( -6.677 0.000 7.950) 10.382 5.515 ( 0.631 0.000 2.356) 2.439 5.630 ( -7.336 0.000 4.726) 8.726 5.700 ( -0.746 0.000 0.824) 1.111 5.830 ( -0.180 0.000 4.227) 4.230 5.935 ( 0.856 0.000 -1.817) 2.009 6.429 ( -15.395 0.000 6.055) 16.543 6.686 ( -8.307 0.000 -11.897) 14.510 19.698 ( 0.681 0.000 -0.037) 0.682 19.708 ( 0.105 0.000 0.413) 0.426 19.736 ( 0.139 0.000 0.009) 0.139 19.750 ( 0.363 0.000 -0.094) 0.375 19.906 ( 0.959 0.000 -0.333) 1.015 19.944 ( -0.074 0.000 0.795) 0.799 20.025 ( 1.087 0.000 -0.615) 1.249 20.031 ( 0.875 0.000 0.414) 0.969 25.080 ( -0.149 0.000 -0.234) 0.278 25.085 ( -0.222 0.000 -0.173) 0.281 25.128 ( 0.272 0.000 0.236) 0.361 25.161 ( -0.597 0.000 0.008) 0.597 31.473 ( 0.571 0.000 -0.057) 0.574 31.488 ( -0.128 0.000 0.414) 0.434 31.505 ( -0.248 0.000 0.489) 0.548 31.514 ( -0.149 0.000 0.126) 0.195 41.385 ( 0.171 0.000 -1.029) 1.043 41.644 ( -5.089 0.000 -1.589) 5.331 41.881 ( 3.096 0.000 5.580) 6.382 42.449 ( -10.662 0.000 -2.202) 10.888 42.667 ( 1.428 0.000 15.863) 15.927 42.867 ( 14.465 0.000 -18.388) 23.396 43.439 ( 19.539 0.000 -11.715) 22.782 43.561 ( 1.950 0.000 21.112) 21.202 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.252 0.000 1.383) 6.404 1.794 ( 5.676 0.000 5.147) 7.662 1.825 ( -8.000 0.000 -6.651) 10.404 1.917 ( 2.819 0.000 0.358) 2.842 2.122 ( 9.466 0.000 0.098) 9.467 2.278 ( -0.440 0.000 0.051) 0.443 2.657 ( -10.121 0.000 -1.397) 10.217 2.676 ( 0.495 0.000 6.592) 6.611 2.711 ( 3.486 0.000 -15.673) 16.056 2.885 ( -7.872 0.000 -2.120) 8.153 2.959 ( 14.412 0.000 2.974) 14.716 3.265 ( -9.406 0.000 -2.842) 9.826 3.297 ( 3.675 0.000 -3.462) 5.049 3.320 ( -3.496 0.000 0.453) 3.526 3.447 ( 8.108 0.000 3.896) 8.995 3.461 ( 7.285 0.000 4.040) 8.330 3.566 ( 3.246 0.000 -3.077) 4.472 3.612 ( 2.519 0.000 1.906) 3.159 3.639 ( -1.533 0.000 3.724) 4.028 3.717 ( -3.758 0.000 1.689) 4.120 3.789 ( -3.141 0.000 -2.312) 3.900 3.803 ( -0.382 0.000 -1.757) 1.798 3.959 ( -4.231 0.000 0.442) 4.254 3.995 ( -0.488 0.000 -3.526) 3.560 4.073 ( 3.959 0.000 5.548) 6.815 4.203 ( 8.236 0.000 3.908) 9.116 4.255 ( -1.017 0.000 0.742) 1.259 4.308 ( -4.711 0.000 0.236) 4.717 4.374 ( 0.148 0.000 3.394) 3.397 4.413 ( 8.975 0.000 0.799) 9.010 4.561 ( 0.838 0.000 -2.030) 2.196 4.564 ( 2.500 0.000 -4.506) 5.153 4.637 ( 0.959 0.000 4.228) 4.335 4.761 ( 10.916 0.000 0.555) 10.930 4.839 ( -1.008 0.000 2.166) 2.389 4.971 ( -9.506 0.000 -1.343) 9.601 5.032 ( -7.511 0.000 -8.025) 10.992 5.066 ( -3.885 0.000 -3.085) 4.961 5.307 ( -6.451 0.000 4.418) 7.819 5.307 ( -1.481 0.000 -0.362) 1.525 5.487 ( 9.837 0.000 -8.149) 12.774 5.492 ( -7.581 0.000 5.320) 9.262 5.669 ( 8.159 0.000 -0.273) 8.163 5.687 ( -1.724 0.000 2.688) 3.194 5.912 ( 8.201 0.000 4.869) 9.538 6.017 ( 6.962 0.000 5.534) 8.894 6.183 ( -10.053 0.000 -0.633) 10.073 6.446 ( -13.293 0.000 -9.273) 16.207 19.709 ( -0.160 0.000 0.414) 0.444 19.710 ( 0.556 0.000 -0.260) 0.614 19.744 ( 0.552 0.000 0.079) 0.557 19.754 ( 0.011 0.000 -0.208) 0.209 19.928 ( 1.333 0.000 -0.505) 1.426 19.937 ( -0.781 0.000 0.572) 0.968 20.039 ( -0.190 0.000 0.427) 0.467 20.040 ( 0.690 0.000 -0.505) 0.855 25.079 ( 0.052 0.000 -0.200) 0.207 25.080 ( -0.232 0.000 -0.053) 0.238 25.136 ( 0.432 0.000 0.307) 0.530 25.150 ( -0.565 0.000 0.012) 0.565 31.490 ( 1.055 0.000 -0.261) 1.087 31.493 ( 0.437 0.000 0.321) 0.542 31.498 ( -0.591 0.000 0.383) 0.705 31.508 ( -0.426 0.000 -0.077) 0.433 41.420 ( 3.657 0.000 -0.630) 3.711 41.527 ( -5.787 0.000 -1.230) 5.916 41.977 ( 5.365 0.000 5.373) 7.593 42.225 ( -9.956 0.000 -2.834) 10.351 42.723 ( -0.768 0.000 15.152) 15.171 43.046 ( 8.483 0.000 -19.541) 21.303 43.585 ( -5.368 0.000 18.783) 19.535 43.756 ( 15.644 0.000 -13.424) 20.614 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -11.790 0.000 -0.165) 11.791 1.680 ( 4.911 0.000 5.552) 7.412 1.894 ( -0.161 0.000 -4.540) 4.542 1.955 ( 5.046 0.000 -3.501) 6.141 2.185 ( -9.762 0.000 -5.314) 11.115 2.285 ( 2.370 0.000 0.285) 2.387 2.386 ( -9.766 0.000 13.651) 16.785 2.612 ( -13.503 0.000 1.351) 13.571 2.781 ( 3.219 0.000 6.392) 7.157 2.872 ( 11.145 0.000 -10.337) 15.200 3.050 ( -11.222 0.000 -3.362) 11.714 3.201 ( 8.603 0.000 3.840) 9.421 3.247 ( -3.441 0.000 -0.494) 3.476 3.352 ( 1.885 0.000 -1.360) 2.324 3.501 ( -2.272 0.000 2.946) 3.720 3.539 ( -5.566 0.000 -5.350) 7.721 3.549 ( -1.494 0.000 -2.827) 3.198 3.610 ( -2.684 0.000 0.520) 2.734 3.689 ( 6.706 0.000 0.904) 6.766 3.727 ( 5.673 0.000 0.836) 5.734 3.783 ( 0.667 0.000 -4.021) 4.076 3.817 ( 5.261 0.000 -1.678) 5.522 3.907 ( -1.629 0.000 3.120) 3.520 3.995 ( 1.225 0.000 -2.541) 2.820 4.156 ( 2.959 0.000 7.054) 7.649 4.179 ( -4.217 0.000 -3.370) 5.398 4.220 ( -5.575 0.000 -1.227) 5.708 4.344 ( 3.828 0.000 2.033) 4.335 4.387 ( -1.901 0.000 3.114) 3.649 4.483 ( -1.574 0.000 -2.606) 3.045 4.509 ( -4.249 0.000 -3.100) 5.260 4.567 ( -1.010 0.000 -2.315) 2.525 4.744 ( -10.204 0.000 1.718) 10.348 4.782 ( -3.510 0.000 -7.022) 7.850 4.817 ( 10.308 0.000 8.058) 13.084 4.895 ( -2.656 0.000 -4.096) 4.882 4.957 ( 2.712 0.000 5.594) 6.217 4.969 ( 1.062 0.000 4.410) 4.536 5.233 ( -3.744 0.000 5.886) 6.976 5.328 ( 4.887 0.000 1.675) 5.166 5.376 ( -5.436 0.000 1.409) 5.616 5.636 ( 6.850 0.000 -6.848) 9.686 5.657 ( -2.362 0.000 0.251) 2.375 5.769 ( 3.097 0.000 -4.537) 5.493 5.995 ( -6.314 0.000 -2.476) 6.782 6.116 ( -8.554 0.000 -1.337) 8.657 6.187 ( 10.159 0.000 -3.011) 10.596 6.235 ( 9.180 0.000 10.021) 13.590 19.704 ( -0.458 0.000 0.364) 0.585 19.717 ( 0.237 0.000 -0.377) 0.445 19.749 ( -0.396 0.000 -0.384) 0.552 19.752 ( 0.162 0.000 -0.011) 0.163 19.919 ( -1.067 0.000 0.295) 1.107 19.951 ( 1.085 0.000 -0.744) 1.316 20.029 ( -0.872 0.000 0.587) 1.051 20.048 ( 0.125 0.000 -0.411) 0.430 25.076 ( -0.164 0.000 0.079) 0.182 25.080 ( 0.111 0.000 -0.080) 0.137 25.140 ( -0.474 0.000 -0.039) 0.476 25.146 ( 0.488 0.000 0.366) 0.610 31.485 ( -0.721 0.000 0.108) 0.729 31.500 ( -0.281 0.000 -0.297) 0.409 31.504 ( 0.505 0.000 0.151) 0.527 31.509 ( 0.960 0.000 -0.472) 1.070 41.429 ( -3.547 0.000 -1.278) 3.770 41.517 ( 5.883 0.000 -0.377) 5.895 42.062 ( -5.739 0.000 -2.960) 6.458 42.130 ( 8.599 0.000 6.571) 10.822 42.701 ( -6.070 0.000 13.462) 14.767 43.091 ( 2.351 0.000 -20.019) 20.157 43.459 ( -12.267 0.000 15.274) 19.590 43.958 ( 9.103 0.000 -17.093) 19.366 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -11.285 0.000 4.791) 12.260 1.717 ( -1.128 0.000 -3.278) 3.467 1.791 ( -14.839 0.000 -11.085) 18.523 1.971 ( 6.825 0.000 2.745) 7.357 2.124 ( 3.707 0.000 -1.954) 4.191 2.189 ( -12.829 0.000 6.587) 14.421 2.334 ( -2.847 0.000 17.859) 18.085 2.366 ( -7.439 0.000 -3.201) 8.099 2.779 ( -15.032 0.000 -6.712) 16.463 2.835 ( 0.556 0.000 7.687) 7.707 3.098 ( 10.032 0.000 -3.963) 10.786 3.209 ( 1.563 0.000 -2.985) 3.369 3.282 ( -6.679 0.000 1.006) 6.754 3.327 ( -0.402 0.000 3.921) 3.942 3.402 ( -4.507 0.000 3.621) 5.781 3.436 ( -6.052 0.000 -5.641) 8.273 3.517 ( 1.954 0.000 -2.962) 3.548 3.542 ( -2.700 0.000 -1.966) 3.340 3.785 ( -0.904 0.000 -3.846) 3.951 3.809 ( -0.465 0.000 -2.178) 2.227 3.867 ( 3.061 0.000 -5.061) 5.914 3.869 ( 7.771 0.000 0.545) 7.790 3.946 ( 1.862 0.000 7.391) 7.622 4.005 ( -1.832 0.000 0.828) 2.011 4.082 ( -2.452 0.000 -2.641) 3.603 4.127 ( -0.896 0.000 -6.827) 6.885 4.215 ( -2.534 0.000 8.518) 8.887 4.256 ( -11.213 0.000 3.506) 11.748 4.277 ( -7.225 0.000 -2.001) 7.497 4.342 ( -7.321 0.000 5.166) 8.960 4.472 ( -0.244 0.000 -1.935) 1.951 4.574 ( 0.139 0.000 -1.310) 1.318 4.598 ( 0.249 0.000 -7.450) 7.454 4.728 ( 0.233 0.000 -5.524) 5.529 4.875 ( 0.114 0.000 0.689) 0.699 4.992 ( 1.995 0.000 -1.175) 2.315 5.008 ( -1.280 0.000 7.541) 7.649 5.040 ( 4.317 0.000 7.548) 8.695 5.237 ( 3.058 0.000 0.556) 3.108 5.297 ( -0.608 0.000 1.747) 1.850 5.495 ( 9.486 0.000 2.455) 9.799 5.557 ( -6.967 0.000 -1.096) 7.053 5.677 ( -2.539 0.000 0.287) 2.555 5.790 ( 1.725 0.000 -5.730) 5.984 5.901 ( -6.505 0.000 1.901) 6.777 5.905 ( -2.645 0.000 -3.665) 4.520 6.431 ( 7.850 0.000 12.366) 14.647 6.549 ( 21.641 0.000 -5.827) 22.412 19.694 ( -0.546 0.000 0.296) 0.621 19.717 ( -0.150 0.000 -0.472) 0.495 19.741 ( -0.153 0.000 -0.470) 0.494 19.750 ( -0.251 0.000 -0.074) 0.261 19.901 ( -0.829 0.000 0.151) 0.842 19.961 ( 0.159 0.000 -0.891) 0.905 20.011 ( -1.174 0.000 0.746) 1.391 20.040 ( -0.775 0.000 -0.460) 0.901 25.075 ( 0.115 0.000 0.229) 0.256 25.082 ( 0.092 0.000 0.065) 0.112 25.131 ( -0.343 0.000 -0.077) 0.352 25.156 ( 0.428 0.000 0.456) 0.625 31.474 ( -0.355 0.000 -0.146) 0.384 31.497 ( 0.132 0.000 -0.397) 0.419 31.512 ( 0.229 0.000 0.054) 0.235 31.521 ( 0.320 0.000 -0.654) 0.728 41.387 ( -0.334 0.000 -1.079) 1.129 41.625 ( 4.588 0.000 0.081) 4.588 41.979 ( -1.849 0.000 -4.012) 4.418 42.348 ( 10.942 0.000 9.255) 14.331 42.557 ( -11.680 0.000 9.776) 15.231 43.047 ( -0.631 0.000 -20.513) 20.522 43.203 ( -17.322 0.000 11.584) 20.838 44.003 ( 0.875 0.000 -21.589) 21.606 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -9.316 0.000 9.000) 12.953 1.520 ( -7.844 0.000 -13.114) 15.280 1.675 ( -0.822 0.000 -10.820) 10.851 1.800 ( -19.937 0.000 13.864) 24.283 2.188 ( 1.176 0.000 -1.279) 1.738 2.196 ( 3.116 0.000 2.658) 4.096 2.305 ( -6.681 0.000 13.586) 15.140 2.322 ( 6.531 0.000 -1.449) 6.690 2.444 ( -13.333 0.000 -11.324) 17.493 2.870 ( 1.579 0.000 8.330) 8.478 3.093 ( -11.316 0.000 5.011) 12.375 3.172 ( 0.658 0.000 5.846) 5.883 3.240 ( -6.583 0.000 8.956) 11.115 3.287 ( 0.267 0.000 -4.536) 4.544 3.362 ( 3.645 0.000 -10.796) 11.395 3.373 ( -5.840 0.000 2.008) 6.175 3.501 ( -0.447 0.000 -3.279) 3.309 3.531 ( 1.096 0.000 0.458) 1.188 3.683 ( -10.190 0.000 2.310) 10.448 3.713 ( -3.819 0.000 -4.488) 5.893 3.802 ( -9.070 0.000 -1.994) 9.287 3.877 ( -8.015 0.000 8.139) 11.423 3.924 ( 3.108 0.000 -1.247) 3.349 3.999 ( -3.067 0.000 -6.811) 7.470 4.088 ( -0.876 0.000 -4.260) 4.349 4.105 ( -7.199 0.000 -1.660) 7.388 4.154 ( 6.917 0.000 -3.247) 7.641 4.167 ( 0.152 0.000 4.482) 4.484 4.249 ( 7.495 0.000 1.106) 7.576 4.346 ( 3.977 0.000 1.749) 4.345 4.459 ( -0.899 0.000 -0.457) 1.008 4.499 ( -5.086 0.000 -4.254) 6.631 4.627 ( 3.119 0.000 -2.244) 3.842 4.765 ( 1.993 0.000 -1.338) 2.401 4.884 ( 0.858 0.000 1.654) 1.863 4.933 ( -6.675 0.000 5.320) 8.536 5.045 ( -2.820 0.000 4.868) 5.626 5.060 ( 5.636 0.000 -6.360) 8.498 5.206 ( -4.915 0.000 -2.471) 5.501 5.369 ( 3.231 0.000 0.099) 3.232 5.543 ( 5.848 0.000 1.317) 5.995 5.592 ( -5.508 0.000 3.961) 6.785 5.631 ( 2.981 0.000 -2.708) 4.027 5.729 ( -11.019 0.000 3.889) 11.685 5.850 ( -0.947 0.000 6.660) 6.727 5.891 ( 4.980 0.000 -4.420) 6.658 6.641 ( 10.285 0.000 11.944) 15.762 6.957 ( 21.160 0.000 -9.994) 23.401 19.687 ( -0.229 0.000 0.220) 0.317 19.706 ( -0.821 0.000 -0.325) 0.883 19.743 ( 0.466 0.000 -0.362) 0.591 19.750 ( 0.370 0.000 -0.141) 0.396 19.889 ( -0.428 0.000 0.118) 0.444 19.952 ( -0.886 0.000 -0.740) 1.155 19.987 ( -1.361 0.000 0.690) 1.526 20.016 ( -1.440 0.000 -0.595) 1.558 25.083 ( 0.631 0.000 0.235) 0.674 25.084 ( 0.075 0.000 0.216) 0.228 25.127 ( -0.076 0.000 -0.016) 0.078 25.164 ( 0.165 0.000 0.584) 0.607 31.472 ( 0.195 0.000 -0.245) 0.313 31.503 ( 0.488 0.000 -0.248) 0.547 31.512 ( -0.176 0.000 0.046) 0.182 31.519 ( -0.221 0.000 -0.632) 0.670 41.405 ( 2.199 0.000 -0.485) 2.252 41.679 ( 0.794 0.000 0.565) 0.975 41.959 ( 1.008 0.000 -5.836) 5.922 42.314 ( -14.198 0.000 7.368) 15.996 42.599 ( 10.454 0.000 8.720) 13.614 42.876 ( -17.443 0.000 9.084) 19.667 42.940 ( -5.431 0.000 -20.064) 20.786 43.870 ( -7.268 0.000 -24.162) 25.231 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.443 0.000 12.344) 12.352 1.421 ( 1.546 0.000 -13.835) 13.921 1.430 ( -18.432 0.000 16.247) 24.570 1.695 ( 3.397 0.000 -13.017) 13.453 1.963 ( -13.707 0.000 -13.488) 19.231 2.080 ( -19.321 0.000 10.353) 21.920 2.242 ( -0.465 0.000 7.009) 7.024 2.340 ( 3.585 0.000 -8.730) 9.437 2.585 ( 14.843 0.000 2.975) 15.138 2.933 ( -2.190 0.000 9.976) 10.214 2.950 ( -2.580 0.000 12.075) 12.348 3.152 ( -5.767 0.000 8.523) 10.290 3.176 ( -1.068 0.000 -0.355) 1.125 3.222 ( -3.761 0.000 0.548) 3.801 3.264 ( -3.086 0.000 1.833) 3.589 3.351 ( -0.728 0.000 -5.671) 5.718 3.523 ( -5.566 0.000 5.891) 8.105 3.534 ( 3.349 0.000 -7.678) 8.376 3.578 ( 1.090 0.000 0.073) 1.093 3.644 ( -2.626 0.000 -5.284) 5.900 3.675 ( 0.508 0.000 -4.337) 4.367 3.744 ( -6.981 0.000 3.767) 7.932 3.878 ( -5.182 0.000 -4.400) 6.798 3.934 ( -3.812 0.000 0.445) 3.838 4.009 ( -1.194 0.000 -2.603) 2.863 4.084 ( 1.872 0.000 -9.654) 9.834 4.171 ( -0.183 0.000 3.639) 3.643 4.262 ( 4.902 0.000 -2.120) 5.341 4.369 ( -2.469 0.000 -3.976) 4.681 4.383 ( -2.002 0.000 -3.268) 3.832 4.492 ( 5.454 0.000 2.555) 6.023 4.495 ( 10.181 0.000 2.012) 10.378 4.691 ( 0.685 0.000 6.991) 7.024 4.758 ( -1.295 0.000 -3.386) 3.625 4.856 ( 1.569 0.000 1.815) 2.399 4.907 ( 0.332 0.000 0.940) 0.997 5.003 ( -3.191 0.000 -0.749) 3.277 5.117 ( -2.037 0.000 2.721) 3.399 5.152 ( 4.816 0.000 -5.995) 7.690 5.412 ( -19.643 0.000 5.283) 20.341 5.431 ( 3.366 0.000 -2.861) 4.418 5.498 ( -6.859 0.000 5.694) 8.915 5.622 ( 0.732 0.000 -0.373) 0.822 5.639 ( 0.810 0.000 -5.782) 5.838 5.894 ( 2.598 0.000 9.001) 9.368 6.006 ( 5.858 0.000 -2.596) 6.408 6.879 ( 9.148 0.000 13.460) 16.274 7.265 ( 12.118 0.000 -12.891) 17.693 19.686 ( 0.039 0.000 0.219) 0.222 19.692 ( -0.319 0.000 -0.108) 0.337 19.755 ( 0.702 0.000 -0.209) 0.733 19.759 ( 0.450 0.000 -0.106) 0.462 19.885 ( 0.076 0.000 0.042) 0.087 19.923 ( -1.747 0.000 -0.259) 1.766 19.967 ( -0.770 0.000 0.436) 0.885 19.986 ( -1.242 0.000 -0.606) 1.382 25.087 ( 0.081 0.000 0.348) 0.357 25.097 ( 0.499 0.000 -0.290) 0.577 25.134 ( 0.947 0.000 0.196) 0.967 25.164 ( -0.375 0.000 0.645) 0.746 31.479 ( 0.576 0.000 -0.185) 0.605 31.504 ( -0.609 0.000 0.042) 0.610 31.511 ( 0.298 0.000 0.065) 0.305 31.515 ( 0.052 0.000 -0.361) 0.365 41.465 ( 3.797 0.000 0.472) 3.826 41.668 ( -1.857 0.000 -0.313) 1.884 41.978 ( 2.541 0.000 -6.945) 7.396 42.079 ( -10.371 0.000 3.155) 10.840 42.539 ( -12.587 0.000 2.744) 12.882 42.674 ( -16.354 0.000 -12.270) 20.445 42.868 ( 8.256 0.000 15.112) 17.220 43.641 ( -7.693 0.000 -22.379) 23.664 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.415 -13.338 17.910) 22.335 1.245 ( -1.673 -15.859 -18.102) 24.124 1.471 ( -6.440 12.127 15.260) 20.527 1.749 ( 2.696 9.493 -11.825) 15.402 1.940 ( -5.756 10.532 9.051) 15.033 2.048 ( 5.015 13.071 -2.880) 14.293 2.303 ( -2.865 7.441 2.898) 8.484 2.423 ( 4.238 2.154 -5.860) 7.546 2.710 ( -0.666 -9.663 3.068) 10.160 2.785 ( 0.981 -6.928 -0.093) 6.997 2.945 ( 3.425 -1.874 11.787) 12.417 3.093 ( 2.776 0.150 5.826) 6.455 3.139 ( -0.636 -0.576 -3.348) 3.456 3.201 ( -0.785 0.107 -3.413) 3.503 3.314 ( 2.597 1.855 2.531) 4.073 3.380 ( 0.572 1.313 -0.129) 1.438 3.452 ( -2.153 -0.675 0.736) 2.373 3.526 ( -2.058 -2.338 2.584) 4.047 3.527 ( 0.823 -0.099 -2.790) 2.911 3.641 ( -2.401 1.065 -0.572) 2.688 3.691 ( 0.389 -1.653 -3.846) 4.205 3.709 ( 2.116 -3.177 -5.602) 6.779 3.771 ( 4.864 0.938 0.420) 4.972 3.842 ( -5.297 -0.566 -3.427) 6.334 4.007 ( -2.350 2.903 1.676) 4.093 4.084 ( 0.251 -1.805 -5.575) 5.865 4.143 ( 3.131 -6.221 4.245) 8.156 4.245 ( -3.108 -5.241 -4.961) 7.857 4.324 ( 1.652 0.469 0.324) 1.748 4.343 ( -2.093 1.792 -2.181) 3.515 4.559 ( 0.473 -4.682 1.298) 4.882 4.580 ( 2.635 -3.420 -0.966) 4.424 4.646 ( -3.081 -0.233 5.212) 6.059 4.711 ( 3.037 -3.614 1.310) 4.899 4.827 ( -1.143 -5.199 -2.504) 5.882 4.877 ( 0.434 -3.457 -3.692) 5.076 5.044 ( -7.251 1.279 2.072) 7.649 5.096 ( 9.446 1.893 -2.255) 9.894 5.301 ( -7.928 12.230 4.049) 15.126 5.306 ( -4.329 -4.364 6.036) 8.615 5.371 ( 6.234 10.798 -2.253) 12.670 5.447 ( 6.782 -5.116 -6.753) 10.853 5.631 ( -3.664 3.188 3.002) 5.709 5.708 ( 2.261 3.416 -4.244) 5.899 6.069 ( -1.908 10.327 7.680) 13.010 6.203 ( 3.141 11.795 -5.108) 13.232 6.922 ( 0.002 -9.709 14.776) 17.680 7.188 ( -1.649 -11.814 -11.089) 16.286 19.695 ( -0.138 0.715 0.175) 0.749 19.698 ( 0.196 0.711 -0.154) 0.754 19.760 ( -0.143 -0.381 0.000) 0.407 19.761 ( 0.007 -0.341 -0.135) 0.367 19.892 ( -0.535 -0.143 0.045) 0.556 19.894 ( 0.594 -0.070 -0.112) 0.608 19.956 ( -0.008 -0.347 0.427) 0.550 19.964 ( -0.203 -0.467 -0.366) 0.627 25.089 ( 0.071 0.004 0.374) 0.380 25.097 ( -0.034 -0.147 -0.402) 0.429 25.149 ( -0.609 -0.330 0.351) 0.777 25.153 ( 0.894 -0.521 -0.048) 1.036 31.489 ( 0.084 -0.059 0.154) 0.185 31.493 ( -0.245 0.038 -0.241) 0.346 31.509 ( -0.242 -0.301 0.177) 0.425 31.513 ( 0.163 -0.410 -0.151) 0.467 41.666 ( -2.778 7.089 0.801) 7.656 41.699 ( 4.295 9.239 -2.382) 10.463 41.936 ( -4.593 0.216 2.699) 5.331 41.999 ( 1.624 -0.382 -3.290) 3.689 42.449 ( 7.383 5.008 3.381) 9.541 42.512 ( -11.967 9.376 -3.084) 15.512 43.009 ( 5.954 -4.081 15.908) 17.469 43.382 ( -7.397 -6.134 -20.109) 22.287 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 4.185 -11.186 12.873) 17.560 1.209 ( 1.936 -13.271 -9.855) 16.643 1.494 ( 4.320 11.292 13.492) 18.117 1.840 ( 8.298 7.402 -1.456) 11.215 1.972 ( 8.049 13.966 -1.240) 16.167 2.135 ( 2.944 1.537 -1.013) 3.472 2.315 ( 3.090 12.362 2.911) 13.071 2.475 ( -0.090 -4.812 -2.793) 5.565 2.659 ( -0.018 3.065 -7.879) 8.454 2.855 ( 4.239 -7.268 5.137) 9.858 3.043 ( 1.610 -2.319 1.693) 3.291 3.113 ( 2.857 -3.806 -2.223) 5.253 3.158 ( 0.211 -1.125 5.642) 5.757 3.205 ( 1.396 -4.094 -5.473) 6.976 3.327 ( -3.760 2.149 -3.760) 5.735 3.407 ( 2.920 2.067 3.209) 4.806 3.447 ( 1.644 0.473 0.602) 1.814 3.519 ( 2.546 -2.296 0.149) 3.432 3.588 ( 4.482 1.786 1.299) 4.996 3.629 ( -1.063 -2.022 -1.310) 2.633 3.674 ( 3.310 1.726 -0.830) 3.824 3.719 ( -0.203 -3.131 -1.547) 3.499 3.855 ( 6.878 -1.376 -1.846) 7.254 3.905 ( 7.203 1.903 2.316) 7.801 3.992 ( 0.019 2.239 2.468) 3.333 4.051 ( -2.259 -2.740 -3.677) 5.112 4.169 ( -4.017 -4.441 -0.608) 6.019 4.214 ( 1.597 -6.019 4.521) 7.696 4.322 ( 3.235 2.299 -4.629) 6.097 4.347 ( 0.106 3.093 -0.016) 3.095 4.486 ( -5.566 -1.731 -0.868) 5.893 4.542 ( -4.278 -0.982 -1.910) 4.786 4.651 ( 1.830 -1.686 1.238) 2.780 4.764 ( -0.777 -4.304 -0.845) 4.454 4.823 ( 1.240 -4.412 3.884) 6.007 4.903 ( 0.542 -4.045 -6.237) 7.453 4.981 ( 4.251 0.930 -0.778) 4.420 5.107 ( -9.238 3.434 3.455) 10.444 5.215 ( 3.097 0.174 -1.509) 3.450 5.289 ( -0.300 3.064 3.722) 4.830 5.533 ( 2.837 -0.069 -1.012) 3.013 5.559 ( 2.415 -3.597 -2.795) 5.156 5.613 ( 9.073 6.920 -0.157) 11.411 5.754 ( 1.429 4.840 -0.851) 5.117 6.014 ( -4.332 8.762 3.404) 10.350 6.183 ( -3.571 12.032 -5.203) 13.587 6.862 ( -10.171 -10.159 14.265) 20.252 7.030 ( -9.603 -8.190 -9.934) 16.061 19.691 ( -0.225 0.337 0.174) 0.441 19.699 ( -0.006 0.683 -0.135) 0.696 19.746 ( -0.930 -0.663 -0.027) 1.142 19.757 ( -0.468 -0.241 0.108) 0.538 19.889 ( 0.264 0.225 -0.074) 0.355 19.916 ( 1.185 -0.191 0.215) 1.219 19.970 ( 1.246 -0.275 0.476) 1.362 19.974 ( 1.249 -0.225 -0.411) 1.334 25.090 ( -0.140 -0.041 0.239) 0.280 25.093 ( -0.211 -0.119 -0.365) 0.438 25.135 ( -0.602 0.068 0.074) 0.611 25.166 ( 0.305 -0.778 -0.172) 0.853 31.479 ( -0.594 0.149 0.022) 0.613 31.496 ( -0.038 -0.448 0.134) 0.469 31.505 ( -0.162 -0.273 0.275) 0.420 31.514 ( 0.018 -0.090 0.026) 0.095 41.548 ( -5.678 6.175 0.887) 8.435 41.774 ( 0.266 4.979 -2.518) 5.586 41.930 ( 0.935 9.395 2.414) 9.746 42.109 ( 12.568 -1.361 -1.464) 12.726 42.409 ( 0.643 -0.373 2.287) 2.405 42.695 ( 14.558 8.672 5.674) 17.870 43.147 ( -4.203 -6.334 -4.548) 8.858 43.195 ( 2.496 -3.761 3.314) 5.599 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 13.312 -8.204 8.168) 17.642 1.270 ( 6.773 -7.385 -5.639) 11.498 1.644 ( 6.933 13.776 7.535) 17.165 2.012 ( 5.711 -2.818 0.161) 6.371 2.137 ( 4.845 -0.609 1.539) 5.120 2.253 ( 13.159 8.592 -6.646) 17.063 2.366 ( -7.751 -0.431 -2.557) 8.173 2.423 ( 8.403 11.465 2.479) 14.430 2.698 ( 5.201 4.767 -13.411) 15.154 2.972 ( 5.568 -6.255 6.275) 10.464 3.042 ( 0.632 -1.735 -9.508) 9.686 3.097 ( -5.342 -2.433 6.946) 9.094 3.162 ( -1.215 -6.895 -2.965) 7.603 3.226 ( -1.472 -3.775 0.009) 4.052 3.290 ( 4.389 0.886 0.333) 4.490 3.467 ( 1.888 0.742 4.688) 5.108 3.503 ( 3.418 3.194 -2.152) 5.149 3.573 ( 0.872 0.592 0.430) 1.138 3.616 ( 1.624 -4.540 2.540) 5.450 3.670 ( 3.428 -2.018 1.538) 4.265 3.708 ( 1.915 -2.057 1.118) 3.024 3.854 ( 8.442 3.287 -0.397) 9.068 3.936 ( -1.893 0.533 1.930) 2.755 4.011 ( 2.000 -2.325 0.557) 3.117 4.020 ( 0.620 1.170 0.773) 1.534 4.053 ( 6.075 2.195 2.831) 7.052 4.118 ( 0.998 -2.034 2.708) 3.531 4.210 ( -1.874 -4.482 -0.957) 4.951 4.351 ( -3.870 1.241 -5.148) 6.559 4.379 ( 2.515 3.705 0.759) 4.542 4.431 ( 6.211 1.224 -1.760) 6.571 4.494 ( 0.946 0.547 -1.269) 1.675 4.660 ( -2.021 -1.885 -1.406) 3.100 4.711 ( -3.246 1.200 -0.393) 3.483 4.846 ( -0.715 -6.924 2.797) 7.501 4.911 ( -0.693 -5.680 -4.380) 7.206 5.028 ( 7.301 0.588 2.157) 7.636 5.125 ( 6.931 2.138 -4.328) 8.446 5.247 ( 1.052 -2.537 -0.764) 2.851 5.287 ( -0.789 6.440 0.882) 6.548 5.504 ( -2.797 0.590 4.824) 5.608 5.608 ( 0.374 -1.387 -1.984) 2.450 5.705 ( -6.136 1.400 3.511) 7.207 5.761 ( 2.965 -1.418 1.567) 3.642 5.973 ( 0.332 9.665 -2.881) 10.090 6.051 ( -7.933 10.719 -3.971) 13.914 6.628 ( -16.225 -9.019 11.017) 21.586 6.822 ( -7.685 -5.482 -11.318) 14.737 19.690 ( 0.161 0.181 0.301) 0.387 19.702 ( 0.341 0.209 -0.106) 0.414 19.730 ( -0.549 -0.774 -0.206) 0.970 19.749 ( -0.387 -0.256 0.295) 0.549 19.897 ( 0.587 0.505 -0.004) 0.774 19.935 ( 0.650 -0.166 0.691) 0.963 20.000 ( 1.518 -0.020 -0.019) 1.519 20.006 ( 1.833 0.043 -0.313) 1.860 25.085 ( -0.296 -0.049 -0.070) 0.308 25.088 ( -0.199 -0.129 -0.267) 0.357 25.129 ( -0.092 0.298 0.106) 0.329 25.165 ( -0.300 -0.614 -0.041) 0.684 31.471 ( -0.148 0.146 0.030) 0.210 31.489 ( -0.456 -0.475 0.281) 0.716 31.506 ( 0.025 -0.054 0.454) 0.458 31.516 ( 0.061 0.096 0.208) 0.237 41.463 ( -3.457 4.936 1.120) 6.129 41.740 ( -2.975 1.005 -1.276) 3.390 41.934 ( -0.215 9.832 2.383) 10.119 42.429 ( 14.545 -5.807 -0.481) 15.669 42.452 ( 3.395 -1.955 1.524) 4.204 42.859 ( -4.845 3.673 -3.216) 6.878 43.116 ( 15.900 -0.136 -9.245) 18.393 43.389 ( 8.229 -1.874 18.258) 20.114 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 9.106 -2.201 0.561) 9.385 1.481 ( 15.767 -6.742 0.682) 17.161 1.806 ( 7.277 9.239 4.479) 12.584 2.016 ( -3.138 0.698 -3.019) 4.410 2.190 ( -5.131 4.093 -2.221) 6.929 2.208 ( 0.767 -4.130 -0.150) 4.204 2.524 ( 13.765 6.091 -6.873) 16.547 2.658 ( 11.306 3.118 2.803) 12.058 2.736 ( 1.747 2.718 -10.788) 11.261 2.949 ( -9.050 -1.075 4.088) 9.989 3.007 ( -1.534 -1.835 -7.226) 7.611 3.133 ( 0.611 -8.553 -2.924) 9.059 3.155 ( 7.812 -2.848 2.256) 8.616 3.226 ( 3.193 -4.477 2.492) 6.038 3.364 ( 1.647 -1.891 0.445) 2.547 3.449 ( -4.016 -1.014 1.684) 4.472 3.557 ( 1.591 3.182 -1.990) 4.076 3.593 ( 1.640 2.940 2.376) 4.121 3.658 ( 0.543 -1.019 5.314) 5.438 3.732 ( 2.271 -3.671 0.145) 4.319 3.767 ( 1.140 1.054 3.474) 3.805 3.878 ( -3.397 -2.757 3.420) 5.553 3.938 ( 1.443 0.666 3.157) 3.534 4.009 ( -0.976 -2.119 -1.735) 2.907 4.051 ( 2.257 0.854 -1.084) 2.645 4.127 ( -1.075 3.860 1.026) 4.136 4.174 ( 2.733 -1.404 4.311) 5.294 4.230 ( 5.781 -1.096 1.756) 6.140 4.321 ( 3.369 0.134 -3.647) 4.967 4.473 ( 1.192 0.366 1.945) 2.310 4.516 ( 3.986 0.119 -7.208) 8.237 4.582 ( 3.365 4.808 7.623) 9.620 4.592 ( 3.168 4.815 -2.701) 6.365 4.670 ( -1.144 0.813 -1.621) 2.144 4.810 ( -2.990 -4.451 2.780) 6.040 4.916 ( 1.990 -7.576 -7.109) 10.578 5.169 ( -1.724 2.650 -2.653) 4.127 5.242 ( 7.010 3.294 -4.345) 8.881 5.291 ( 5.633 4.250 0.134) 7.058 5.317 ( 2.296 -4.534 1.545) 5.312 5.414 ( -1.975 1.364 -1.916) 3.072 5.561 ( -4.591 1.265 6.704) 8.223 5.617 ( -4.693 -1.393 3.363) 5.939 5.743 ( -4.740 -4.394 3.065) 7.153 5.900 ( -4.293 8.379 -0.784) 9.447 5.986 ( 1.554 7.606 -2.378) 8.120 6.343 ( -14.266 -7.450 5.914) 17.146 6.647 ( -7.978 -4.267 -11.727) 14.812 19.699 ( 0.571 0.125 0.135) 0.599 19.708 ( 0.154 -0.038 0.201) 0.256 19.727 ( 0.360 -0.720 -0.376) 0.889 19.746 ( -0.026 -0.512 0.276) 0.582 19.912 ( 0.931 0.614 0.012) 1.115 19.945 ( 0.078 0.012 0.773) 0.777 20.025 ( 0.991 0.122 -0.078) 1.002 20.035 ( 1.119 0.202 -0.407) 1.208 25.080 ( -0.126 0.002 -0.222) 0.255 25.084 ( -0.176 -0.075 -0.157) 0.248 25.130 ( 0.194 0.234 0.211) 0.370 25.157 ( -0.480 -0.388 0.044) 0.619 31.474 ( 0.530 0.101 -0.047) 0.542 31.485 ( 0.049 -0.209 0.312) 0.378 31.506 ( -0.189 0.060 0.485) 0.524 31.515 ( -0.227 0.044 0.216) 0.317 41.422 ( -0.795 3.641 0.995) 3.858 41.654 ( -5.303 0.312 -0.427) 5.329 41.948 ( 1.078 5.903 2.220) 6.399 42.371 ( -8.468 -6.415 0.700) 10.646 42.676 ( 4.691 0.612 6.142) 7.753 42.845 ( 8.868 -2.226 -12.748) 15.688 43.457 ( 18.199 1.897 -6.718) 19.492 43.570 ( 4.435 0.441 16.558) 17.148 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 7.926 1.689 -0.530) 8.122 1.753 ( 9.306 -4.321 2.118) 10.476 1.797 ( -7.668 -0.619 -0.314) 7.700 1.989 ( -2.288 5.041 -1.819) 5.827 2.154 ( 7.368 0.061 -4.906) 8.852 2.256 ( 0.862 2.425 3.330) 4.209 2.644 ( -9.868 1.249 0.667) 9.969 2.697 ( 4.382 1.887 3.782) 6.088 2.777 ( -1.406 2.976 -8.513) 9.127 2.869 ( 2.785 -2.819 0.577) 4.005 2.978 ( 2.453 0.999 -3.716) 4.563 3.122 ( -2.302 -9.995 -3.441) 10.819 3.237 ( 2.744 -5.222 -0.674) 5.938 3.298 ( -3.190 -1.789 -1.127) 3.827 3.415 ( 6.227 -3.505 1.394) 7.280 3.457 ( 5.625 -1.435 1.749) 6.063 3.521 ( -2.648 -1.310 1.944) 3.537 3.629 ( -4.035 0.257 4.220) 5.844 3.667 ( 3.218 3.271 -1.279) 4.763 3.748 ( -3.170 -2.912 -0.928) 4.403 3.769 ( 2.074 1.673 0.004) 2.664 3.810 ( -2.065 1.083 -0.890) 2.496 3.967 ( -0.112 -0.983 2.736) 2.910 4.016 ( 2.538 1.745 -0.985) 3.234 4.096 ( 1.387 2.567 2.607) 3.913 4.164 ( 3.788 -3.931 1.017) 5.553 4.234 ( 1.439 0.192 3.239) 3.550 4.277 ( -3.051 -0.554 0.721) 3.184 4.420 ( 4.945 3.925 3.115) 7.041 4.457 ( 3.830 3.123 -1.671) 5.217 4.551 ( 2.135 -0.736 -3.661) 4.301 4.615 ( -2.492 0.629 -2.340) 3.476 4.675 ( -0.365 6.550 6.075) 8.941 4.731 ( 2.850 -2.136 -0.360) 3.580 4.766 ( 2.084 -4.831 1.778) 5.554 4.914 ( -0.086 -5.314 -6.676) 8.533 5.102 ( -3.724 6.358 -0.543) 7.388 5.133 ( -8.515 4.808 -0.881) 9.818 5.325 ( 3.811 3.861 -0.346) 5.436 5.428 ( -7.051 4.965 4.154) 9.572 5.487 ( 6.364 -0.277 -5.375) 8.335 5.497 ( -5.593 0.650 2.344) 6.099 5.591 ( 8.259 -4.573 0.747) 9.470 5.656 ( -2.534 -4.332 1.405) 5.212 5.930 ( 5.918 1.508 3.285) 6.934 6.041 ( 4.511 2.948 3.395) 6.369 6.127 ( -8.122 -4.766 0.065) 9.417 6.416 ( -12.580 -3.189 -9.014) 15.801 19.709 ( 0.043 0.022 0.132) 0.141 19.709 ( 0.285 -0.073 -0.028) 0.296 19.737 ( 0.455 -0.632 0.103) 0.786 19.746 ( 0.039 -0.756 -0.187) 0.780 19.933 ( 1.106 0.489 -0.110) 1.214 19.942 ( -0.437 0.395 0.477) 0.759 20.037 ( 0.210 0.117 0.239) 0.339 20.046 ( 0.317 0.282 -0.611) 0.743 25.079 ( 0.031 0.014 -0.165) 0.169 25.080 ( -0.177 0.007 -0.070) 0.190 25.136 ( 0.336 0.061 0.271) 0.436 25.148 ( -0.466 -0.192 0.035) 0.506 31.489 ( 0.926 -0.006 -0.202) 0.948 31.492 ( 0.367 -0.087 0.187) 0.421 31.501 ( -0.376 0.175 0.386) 0.567 31.509 ( -0.406 0.030 -0.027) 0.408 41.443 ( 2.612 2.205 1.002) 3.562 41.546 ( -4.984 1.339 -0.730) 5.212 41.999 ( 3.548 1.911 3.404) 5.275 42.191 ( -8.112 -2.958 -2.275) 8.929 42.735 ( -0.448 1.191 11.339) 11.410 42.976 ( 5.924 -5.719 -13.348) 15.684 43.633 ( -1.905 3.762 12.757) 13.436 43.757 ( 13.888 0.021 -10.693) 17.528 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -11.978 -0.185 0.006) 11.980 1.697 ( 2.148 0.954 3.226) 3.992 1.852 ( -0.125 -2.381 -1.443) 2.787 2.004 ( 6.675 -1.933 -4.707) 8.393 2.156 ( -9.414 4.572 -2.964) 10.877 2.272 ( 0.198 0.551 1.972) 2.057 2.500 ( -4.356 7.397 8.118) 11.815 2.649 ( -11.148 3.416 1.394) 11.742 2.773 ( 1.303 -1.353 7.317) 7.555 2.900 ( 4.777 -0.161 -9.101) 10.280 3.022 ( -2.307 -1.116 -3.523) 4.357 3.080 ( 2.828 -9.092 -0.902) 9.564 3.215 ( -3.401 -5.644 0.860) 6.645 3.304 ( 2.357 -0.033 -1.190) 2.641 3.432 ( -1.470 -6.776 -0.580) 6.957 3.505 ( -6.629 -1.801 -0.857) 6.922 3.545 ( 4.410 -1.744 -2.489) 5.356 3.635 ( -1.689 2.931 3.529) 4.889 3.674 ( 5.664 -1.263 1.703) 6.048 3.732 ( 3.205 0.070 -2.412) 4.012 3.782 ( 1.413 0.004 -3.146) 3.449 3.856 ( 4.420 2.706 -3.304) 6.147 3.937 ( -3.425 2.345 4.366) 6.024 4.055 ( 0.670 1.353 -4.358) 4.612 4.109 ( -0.774 -2.501 4.474) 5.184 4.170 ( -3.231 -1.228 -1.785) 3.890 4.199 ( -2.290 0.417 2.786) 3.631 4.306 ( 2.798 -2.262 1.628) 3.949 4.426 ( -4.861 2.847 0.325) 5.643 4.523 ( -1.584 3.290 -2.649) 4.511 4.548 ( -4.486 2.959 -3.477) 6.400 4.583 ( 1.875 0.484 -0.548) 2.013 4.651 ( -5.370 -3.819 2.752) 7.141 4.696 ( 2.766 -3.836 6.473) 8.016 4.815 ( 1.003 -2.288 -2.146) 3.293 4.910 ( -2.839 2.023 -4.992) 6.089 5.058 ( -0.111 6.000 3.022) 6.719 5.095 ( 6.162 9.223 2.787) 11.436 5.270 ( -7.208 2.996 4.335) 8.929 5.367 ( -1.656 2.291 2.470) 3.754 5.420 ( -0.858 3.327 3.291) 4.758 5.578 ( 2.413 -4.451 -2.485) 5.641 5.656 ( 2.926 -0.252 -4.990) 5.790 5.729 ( 5.409 -3.903 -3.963) 7.759 5.973 ( -4.023 -0.951 -1.051) 4.265 6.118 ( -6.566 -0.182 -1.613) 6.764 6.147 ( 6.800 -3.448 -2.743) 8.103 6.212 ( 7.439 -2.193 9.065) 11.930 19.705 ( -0.371 0.035 0.264) 0.456 19.714 ( 0.078 -0.236 -0.207) 0.324 19.734 ( -0.599 -0.953 0.213) 1.146 19.751 ( 0.364 -0.431 -0.499) 0.753 19.930 ( -0.764 0.881 0.163) 1.177 19.954 ( 0.865 0.216 -0.537) 1.041 20.032 ( -0.746 0.300 0.502) 0.948 20.048 ( -0.049 0.008 -0.547) 0.549 25.077 ( -0.145 0.060 0.060) 0.168 25.080 ( 0.082 -0.018 -0.067) 0.108 25.140 ( -0.382 -0.009 -0.006) 0.382 25.145 ( 0.398 -0.123 0.321) 0.526 31.486 ( -0.658 0.080 0.076) 0.667 31.497 ( -0.225 -0.234 -0.237) 0.402 31.505 ( 0.511 0.157 0.051) 0.537 31.512 ( 0.822 0.122 -0.433) 0.937 41.461 ( -2.331 2.837 -0.289) 3.683 41.534 ( 5.271 1.436 -0.090) 5.464 42.049 ( -3.602 -0.793 -0.383) 3.708 42.128 ( 6.498 -0.621 2.853) 7.124 42.708 ( -5.898 0.878 10.991) 12.504 42.984 ( -1.401 -7.860 -10.369) 13.087 43.564 ( -7.543 7.876 6.038) 12.465 43.933 ( 7.479 -2.439 -14.866) 16.819 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -12.903 -1.516 4.539) 13.762 1.602 ( -8.836 -6.650 -7.091) 13.136 1.881 ( -2.770 3.626 -3.143) 5.541 1.991 ( 0.791 2.547 -0.675) 2.751 2.122 ( 4.589 0.710 0.701) 4.696 2.245 ( -3.320 -1.784 4.439) 5.823 2.369 ( -15.500 11.321 7.794) 20.716 2.458 ( -3.166 6.053 3.644) 7.742 2.786 ( -4.716 -2.619 3.335) 6.342 2.832 ( -5.296 1.137 -1.464) 5.611 3.074 ( 0.310 -4.068 0.428) 4.102 3.128 ( 4.660 -4.057 -4.080) 7.404 3.193 ( 2.395 -7.226 -1.685) 7.797 3.272 ( -4.528 -2.730 -2.167) 5.714 3.391 ( -1.583 -2.965 -3.633) 4.949 3.457 ( -0.744 -1.643 3.324) 3.782 3.503 ( -3.688 4.541 1.293) 5.991 3.604 ( -0.650 3.517 -1.535) 3.892 3.753 ( -1.032 -3.172 -1.143) 3.526 3.827 ( 4.654 -0.227 -4.429) 6.429 3.834 ( -1.659 -0.964 -3.281) 3.801 3.882 ( 3.041 0.901 2.048) 3.776 3.940 ( 1.296 -0.288 4.103) 4.312 4.012 ( -4.220 -2.087 -3.492) 5.862 4.056 ( -2.888 -1.399 -3.526) 4.768 4.113 ( 2.539 -1.980 -0.216) 3.227 4.225 ( -3.007 3.097 4.484) 6.224 4.244 ( -9.012 -0.273 0.689) 9.043 4.272 ( -4.849 0.842 -0.726) 4.975 4.377 ( -8.627 2.790 3.415) 9.689 4.521 ( -0.840 4.003 1.525) 4.365 4.576 ( 1.055 -1.755 -3.959) 4.457 4.634 ( 1.696 1.641 2.628) 3.532 4.732 ( -4.636 -6.216 -0.133) 7.755 4.815 ( 0.763 -0.697 -4.606) 4.721 4.871 ( 3.834 0.714 -1.973) 4.371 5.075 ( -0.300 3.047 4.995) 5.859 5.117 ( -6.126 3.318 5.716) 9.012 5.292 ( -0.073 1.905 -0.786) 2.062 5.369 ( -6.747 -2.293 -0.780) 7.168 5.395 ( 12.548 5.480 -1.084) 13.736 5.617 ( 0.813 -0.472 0.258) 0.975 5.684 ( 2.046 0.683 0.727) 2.276 5.802 ( 2.477 -0.560 -2.291) 3.420 5.911 ( -3.283 3.599 -2.638) 5.539 5.945 ( -2.580 3.820 0.862) 4.690 6.381 ( 7.507 -4.798 11.599) 14.626 6.462 ( 18.686 -7.860 -4.004) 20.663 19.698 ( -0.362 0.265 0.256) 0.517 19.709 ( -0.576 -0.713 -0.002) 0.917 19.725 ( -0.078 -0.782 -0.186) 0.808 19.754 ( 0.110 -0.217 -0.466) 0.526 19.914 ( -0.778 1.160 -0.170) 1.408 19.961 ( -0.032 -0.098 -0.707) 0.715 20.015 ( -1.201 0.344 0.667) 1.416 20.038 ( -0.845 -0.205 -0.519) 1.013 25.076 ( 0.077 0.047 0.196) 0.216 25.082 ( 0.072 -0.066 0.064) 0.117 25.133 ( -0.265 0.162 -0.030) 0.312 25.153 ( 0.349 -0.292 0.392) 0.600 31.476 ( -0.344 0.131 -0.150) 0.398 31.493 ( 0.023 -0.322 -0.369) 0.490 31.513 ( 0.242 0.148 -0.117) 0.307 31.523 ( 0.340 0.093 -0.566) 0.666 41.443 ( 0.752 4.988 -0.727) 5.096 41.644 ( 5.190 1.288 0.071) 5.348 41.998 ( -0.878 1.904 -2.240) 3.068 42.310 ( 9.559 -3.727 6.776) 12.296 42.564 ( -11.311 0.840 8.027) 13.895 42.877 ( -6.934 -9.837 -5.219) 13.118 43.389 ( -10.193 11.615 -2.749) 15.696 43.957 ( -0.324 -4.523 -19.441) 19.962 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -13.472 -4.626 7.155) 15.940 1.421 ( -5.082 -5.956 -12.712) 14.930 1.773 ( -5.539 6.809 -2.947) 9.259 1.995 ( -8.574 -1.001 1.923) 8.844 2.069 ( -6.767 12.188 5.329) 14.925 2.181 ( -3.498 -5.558 4.119) 7.752 2.311 ( 8.817 1.227 1.452) 9.020 2.428 ( -1.330 7.570 1.456) 7.823 2.571 ( -10.564 7.371 -3.532) 13.357 2.848 ( 2.191 -0.706 6.934) 7.307 3.018 ( -5.485 -9.318 4.948) 11.891 3.066 ( -7.140 -1.935 0.979) 7.462 3.216 ( -2.349 -6.444 1.633) 7.050 3.283 ( 0.872 -0.528 -3.345) 3.497 3.341 ( -0.500 1.809 -2.234) 2.917 3.436 ( -0.032 1.791 -3.732) 4.140 3.500 ( 0.739 -0.702 4.269) 4.389 3.560 ( -2.899 2.635 -2.182) 4.485 3.673 ( -9.624 -0.742 0.510) 9.666 3.704 ( -3.433 -1.705 -1.952) 4.301 3.810 ( -11.291 0.908 9.525) 14.800 3.871 ( -4.817 -6.933 -8.172) 11.750 3.887 ( -2.579 0.658 -1.944) 3.296 3.931 ( 2.397 1.147 -0.265) 2.670 4.086 ( 0.005 -1.119 -3.268) 3.454 4.119 ( -4.522 -0.228 1.230) 4.692 4.155 ( 4.727 1.185 -0.637) 4.915 4.193 ( -3.521 2.869 -4.868) 6.658 4.269 ( 6.312 1.818 1.957) 6.854 4.333 ( 4.186 -1.220 3.024) 5.307 4.477 ( -2.610 0.784 -1.572) 3.146 4.537 ( -8.058 -0.547 -0.395) 8.086 4.639 ( 2.325 -0.595 0.028) 2.401 4.711 ( 1.615 -2.962 0.566) 3.421 4.844 ( 1.774 -6.898 -4.642) 8.501 4.913 ( -0.775 0.507 -0.221) 0.952 5.041 ( -2.501 -0.803 3.001) 3.988 5.058 ( 0.362 5.314 0.261) 5.333 5.225 ( -5.468 -2.818 0.283) 6.158 5.305 ( 2.423 0.721 -0.754) 2.638 5.559 ( -4.009 -2.371 3.037) 5.560 5.612 ( 2.618 2.035 -5.298) 6.250 5.734 ( 0.678 5.368 1.296) 5.564 5.782 ( -3.342 4.485 0.645) 5.630 5.896 ( 2.479 8.213 4.964) 9.912 5.975 ( 5.027 6.977 1.195) 8.682 6.576 ( 9.345 -6.168 12.223) 16.577 6.831 ( 19.406 -11.582 -8.526) 24.154 19.694 ( -0.074 0.629 0.202) 0.665 19.696 ( -0.541 -0.557 0.068) 0.779 19.731 ( 0.686 -0.781 -0.255) 1.070 19.756 ( 0.280 -0.084 -0.408) 0.502 19.899 ( -0.684 0.957 -0.169) 1.189 19.949 ( -1.014 -0.324 -0.537) 1.192 19.989 ( -1.494 0.194 0.601) 1.622 20.013 ( -1.489 -0.311 -0.627) 1.645 25.082 ( 0.389 -0.099 0.257) 0.477 25.084 ( 0.198 -0.070 0.171) 0.271 25.129 ( -0.063 0.270 0.023) 0.278 25.159 ( 0.118 -0.428 0.480) 0.654 31.473 ( 0.186 0.128 -0.225) 0.319 31.496 ( 0.309 -0.465 -0.319) 0.643 31.514 ( -0.102 0.058 -0.208) 0.239 31.521 ( -0.234 0.151 -0.454) 0.533 41.482 ( 3.282 6.806 -0.569) 7.578 41.719 ( 2.302 2.820 0.329) 3.655 41.996 ( 1.231 3.663 -3.228) 5.035 42.312 ( -13.889 -0.118 6.787) 15.459 42.519 ( 5.479 -6.756 1.667) 8.857 42.715 ( -6.477 -7.387 5.757) 11.387 43.165 ( -10.765 12.863 -11.711) 20.457 43.813 ( -7.619 -5.391 -22.292) 24.167 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -7.471 -9.618 11.292) 16.608 1.329 ( -1.375 -8.651 -15.217) 17.558 1.621 ( -10.705 9.067 9.015) 16.675 1.813 ( -5.480 6.812 -9.759) 13.103 1.982 ( -2.731 8.287 0.997) 8.782 2.111 ( -6.432 1.436 4.026) 7.723 2.370 ( -4.269 3.294 1.668) 5.645 2.403 ( -0.915 11.244 -4.574) 12.173 2.566 ( 10.353 -1.074 2.107) 10.620 2.866 ( -5.254 -7.804 2.491) 9.732 2.920 ( -5.022 -2.642 14.233) 15.323 3.031 ( 5.410 -2.481 5.290) 7.963 3.098 ( -5.532 -2.490 4.052) 7.295 3.306 ( 1.322 -1.034 -0.974) 1.941 3.330 ( -4.946 0.731 -7.635) 9.127 3.353 ( -2.623 2.598 2.776) 4.619 3.519 ( -5.177 -1.269 1.885) 5.654 3.525 ( -1.364 0.322 2.723) 3.062 3.548 ( 2.273 -1.073 -2.421) 3.490 3.650 ( -1.209 1.061 -0.148) 1.615 3.697 ( -1.024 0.459 -0.692) 1.318 3.755 ( -4.329 -6.811 -4.835) 9.408 3.786 ( -5.195 2.746 -3.190) 6.686 3.962 ( -4.292 1.991 -0.519) 4.760 4.028 ( 1.289 0.027 -2.178) 2.531 4.089 ( 0.684 -0.007 -5.430) 5.473 4.121 ( -3.066 -2.739 0.111) 4.113 4.260 ( 4.431 0.178 -1.099) 4.569 4.327 ( -2.673 -3.871 -3.803) 6.049 4.408 ( -3.436 0.335 -2.559) 4.298 4.457 ( 5.110 -3.288 4.158) 7.363 4.492 ( 6.302 -0.558 0.591) 6.354 4.646 ( -1.235 -3.434 2.907) 4.665 4.736 ( -0.721 -1.973 2.859) 3.548 4.845 ( 0.134 -4.960 -4.133) 6.457 4.900 ( 1.322 -0.139 -2.472) 2.806 4.981 ( -1.679 0.401 -0.561) 1.815 5.122 ( -0.591 3.730 3.252) 4.984 5.203 ( 5.986 2.650 -1.240) 6.663 5.360 ( 3.088 -2.193 -2.985) 4.822 5.449 ( -8.021 -3.408 3.973) 9.578 5.510 ( -10.406 5.205 3.714) 12.214 5.662 ( -1.541 4.144 -3.075) 5.386 5.741 ( -3.274 5.682 -0.389) 6.569 6.024 ( 4.878 12.309 6.378) 14.696 6.102 ( 7.139 8.634 -1.398) 11.291 6.794 ( 8.111 -7.944 13.074) 17.315 7.120 ( 11.613 -13.229 -10.949) 20.730 19.692 ( 0.107 0.213 0.179) 0.298 19.695 ( 0.128 0.811 -0.004) 0.821 19.748 ( 0.949 -0.653 -0.179) 1.166 19.761 ( 0.264 -0.133 -0.252) 0.388 19.889 ( -0.266 0.381 -0.034) 0.466 19.919 ( -1.720 -0.330 -0.115) 1.755 19.965 ( -0.960 -0.136 0.364) 1.036 19.982 ( -1.313 -0.419 -0.606) 1.505 25.086 ( 0.125 -0.045 0.327) 0.353 25.094 ( 0.494 -0.243 -0.139) 0.568 25.134 ( 0.603 0.075 0.197) 0.639 25.159 ( -0.330 -0.465 0.496) 0.756 31.480 ( 0.495 0.072 -0.139) 0.519 31.499 ( -0.021 -0.284 -0.203) 0.350 31.510 ( -0.099 -0.237 -0.144) 0.294 31.515 ( -0.256 0.025 -0.132) 0.289 41.564 ( 5.184 8.226 -0.405) 9.731 41.739 ( -0.536 5.273 0.657) 5.341 42.009 ( 0.299 2.651 -3.956) 4.772 42.074 ( -10.206 -0.047 1.489) 10.314 42.435 ( -6.374 -4.387 0.261) 7.742 42.787 ( -1.152 -2.501 7.980) 8.441 42.892 ( -7.988 10.397 -5.315) 14.148 43.585 ( -7.998 -5.507 -21.491) 23.583 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -2.006 1.946 6.386) 6.971 0.925 ( -3.221 -14.012 -10.427) 17.760 1.749 ( -3.270 14.277 10.748) 18.167 1.930 ( 0.654 5.088 -6.083) 7.958 2.006 ( 0.284 -0.658 4.468) 4.525 2.121 ( 0.145 -6.822 -4.651) 8.258 2.467 ( -1.422 1.999 1.850) 3.072 2.526 ( 3.258 -1.996 -1.541) 4.120 2.671 ( -1.851 13.332 2.574) 13.704 2.719 ( 5.510 6.183 -2.232) 8.577 2.892 ( 1.691 -3.185 10.647) 11.241 3.017 ( -0.608 -8.448 -0.132) 8.470 3.181 ( -2.606 3.311 0.957) 4.321 3.202 ( 0.483 1.020 0.041) 1.129 3.334 ( 3.967 -0.130 3.333) 5.183 3.394 ( 0.476 -5.292 -0.183) 5.316 3.415 ( 2.864 3.330 -0.589) 4.432 3.500 ( -1.876 -0.368 -1.123) 2.218 3.526 ( 0.149 -1.796 -0.994) 2.058 3.567 ( -0.363 -4.714 -0.003) 4.728 3.664 ( -2.308 1.219 -0.801) 2.730 3.684 ( 0.269 -0.632 -3.033) 3.110 3.822 ( -0.741 2.202 -2.841) 3.670 3.848 ( -2.555 0.174 -4.328) 5.029 3.998 ( -2.354 -3.309 3.696) 5.491 4.009 ( -0.387 -5.003 2.440) 5.580 4.076 ( 0.124 1.650 -3.151) 3.559 4.129 ( -1.021 -4.389 -6.327) 7.767 4.349 ( 3.014 2.569 2.561) 4.716 4.390 ( -0.870 1.758 -1.388) 2.402 4.464 ( 2.646 -3.079 2.983) 5.038 4.500 ( 0.574 -3.955 0.150) 3.999 4.645 ( 0.963 0.327 2.431) 2.635 4.663 ( -0.929 -1.430 2.629) 3.133 4.767 ( -0.920 0.343 -5.162) 5.254 4.813 ( 0.309 -3.077 -6.395) 7.103 5.090 ( -4.765 3.211 4.329) 7.194 5.150 ( 1.055 0.181 1.492) 1.836 5.224 ( -0.950 0.159 0.323) 1.016 5.321 ( 5.911 -6.372 -6.319) 10.746 5.515 ( -5.249 7.011 2.766) 9.185 5.553 ( 4.115 4.123 -0.756) 5.874 5.697 ( -2.570 3.095 2.412) 4.690 5.742 ( 1.945 -0.510 -1.636) 2.593 6.339 ( -2.746 15.139 9.452) 18.058 6.511 ( 3.703 17.072 -6.985) 18.814 6.659 ( -1.323 -14.862 11.857) 19.058 6.877 ( 1.587 -17.382 -9.130) 19.698 19.717 ( -0.258 1.356 0.085) 1.383 19.719 ( 0.186 1.230 -0.116) 1.249 19.745 ( -0.227 -1.052 -0.008) 1.076 19.746 ( 0.117 -1.148 -0.070) 1.156 19.891 ( -0.163 0.040 0.075) 0.183 19.892 ( 0.251 -0.073 -0.061) 0.269 19.951 ( -0.057 -0.108 0.137) 0.183 19.954 ( -0.136 -0.426 -0.210) 0.494 25.090 ( 0.083 0.098 0.210) 0.246 25.093 ( 0.043 -0.204 -0.098) 0.230 25.143 ( -0.036 -0.149 0.242) 0.287 25.144 ( 0.088 -0.282 0.108) 0.314 31.491 ( 0.206 0.263 0.114) 0.353 31.494 ( -0.320 0.094 -0.258) 0.421 31.502 ( -0.062 -0.341 0.113) 0.364 31.504 ( -0.201 -0.399 -0.118) 0.462 41.795 ( -3.045 4.501 1.814) 5.729 41.827 ( 1.832 1.930 -0.895) 2.807 41.952 ( -0.724 1.532 0.621) 1.805 41.984 ( 0.939 -1.219 -2.015) 2.535 42.597 ( 9.589 8.699 6.893) 14.668 42.714 ( -2.485 2.838 -0.359) 3.790 42.959 ( -2.381 5.001 0.521) 5.563 43.193 ( -8.537 -12.054 -17.436) 22.851 ======================= Grid point 154 (89/96) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 6.822 -0.234 7.733) 10.315 0.937 ( 6.091 -11.442 -2.683) 13.237 1.781 ( 4.061 15.091 9.536) 18.307 1.956 ( 2.649 2.794 -3.383) 5.125 2.035 ( 2.361 -1.418 0.097) 2.756 2.162 ( 4.322 -9.339 -1.591) 10.413 2.453 ( 1.732 8.283 -1.221) 8.550 2.623 ( -0.009 1.933 0.115) 1.936 2.682 ( 7.259 7.617 -1.176) 10.588 2.790 ( 2.139 3.174 -6.527) 7.566 2.977 ( 2.899 -3.313 3.556) 5.660 3.021 ( 3.418 -5.777 0.827) 6.763 3.158 ( -3.465 1.974 -0.520) 4.022 3.193 ( 0.168 2.048 2.419) 3.174 3.332 ( -5.203 -2.647 -5.854) 8.267 3.381 ( -0.004 -5.338 2.391) 5.849 3.449 ( 2.488 1.431 -1.713) 3.343 3.503 ( 0.255 -1.646 0.906) 1.896 3.525 ( 2.862 0.108 -1.269) 3.133 3.598 ( 1.281 -3.785 1.240) 4.184 3.677 ( 3.515 2.906 -0.555) 4.594 3.741 ( 6.701 -1.610 0.600) 6.918 3.844 ( 4.356 2.415 0.826) 5.049 3.916 ( 5.634 -2.587 1.010) 6.281 3.973 ( 0.757 0.458 2.612) 2.758 4.034 ( 0.748 -4.019 4.209) 5.867 4.106 ( 2.556 0.104 0.880) 2.706 4.128 ( 1.403 -0.329 -0.929) 1.715 4.355 ( -0.507 0.931 -3.591) 3.745 4.382 ( -0.444 -1.712 0.072) 1.770 4.461 ( -0.962 0.883 -0.558) 1.420 4.486 ( -1.108 -1.788 -3.034) 3.692 4.661 ( -0.089 0.710 2.638) 2.733 4.682 ( -2.053 -1.641 -2.233) 3.448 4.750 ( 2.081 -1.375 1.798) 3.074 4.805 ( 0.387 -4.815 -5.628) 7.416 5.032 ( -0.350 3.271 0.639) 3.351 5.095 ( -3.030 -2.627 3.284) 5.183 5.293 ( 4.167 5.672 -4.087) 8.139 5.411 ( 1.974 -0.349 -3.051) 3.651 5.437 ( 0.892 0.995 0.123) 1.342 5.533 ( -3.582 -2.649 1.830) 4.816 5.745 ( 3.387 4.867 2.224) 6.333 5.799 ( 0.883 -0.353 2.379) 2.562 6.266 ( -6.185 14.837 5.940) 17.137 6.482 ( -4.137 14.947 -6.770) 16.922 6.592 ( -8.248 -14.455 9.325) 19.077 6.799 ( -5.798 -13.809 -9.710) 17.849 19.704 ( -0.700 0.973 0.093) 1.202 19.718 ( -0.324 1.032 0.144) 1.091 19.728 ( -0.988 -0.922 -0.123) 1.357 19.744 ( -0.445 -1.050 0.129) 1.148 19.898 ( 0.674 0.572 0.110) 0.890 19.909 ( 1.041 -0.460 0.171) 1.151 19.966 ( 1.516 -0.077 0.121) 1.523 19.968 ( 1.564 -0.262 -0.292) 1.612 25.089 ( -0.188 0.016 0.032) 0.192 25.091 ( -0.224 -0.119 -0.197) 0.321 25.139 ( -0.166 0.340 0.115) 0.396 25.150 ( 0.180 -0.717 0.104) 0.747 31.483 ( -0.566 0.254 -0.039) 0.621 31.489 ( -0.471 -0.305 0.069) 0.565 31.502 ( 0.229 0.117 0.311) 0.403 31.509 ( 0.279 -0.411 0.208) 0.539 41.697 ( -5.704 7.046 2.081) 9.301 41.795 ( -3.443 -1.963 0.683) 4.022 42.056 ( 4.896 1.299 0.555) 5.096 42.082 ( 10.552 -1.434 -0.272) 10.653 42.590 ( -4.418 16.204 -9.987) 19.540 42.846 ( 12.142 0.598 0.480) 12.166 42.981 ( -5.683 -4.961 -4.478) 8.773 43.081 ( 7.916 -6.979 11.043) 15.275 ======================= Grid point 155 (90/96) ======================= q-point: ( 0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 14.574 -0.867 5.580) 15.630 1.115 ( 11.516 -6.684 1.220) 13.371 1.907 ( 4.468 9.662 2.746) 10.994 2.000 ( 2.630 0.060 -1.704) 3.134 2.104 ( 4.912 1.591 -0.122) 5.165 2.248 ( 3.310 -7.667 -1.005) 8.411 2.527 ( 6.554 11.569 -2.676) 13.563 2.643 ( 2.563 5.880 -0.129) 6.416 2.755 ( 2.859 0.581 -10.468) 10.867 2.829 ( 3.012 -6.258 -4.635) 8.350 2.999 ( -5.824 -1.665 -1.699) 6.291 3.050 ( -3.574 -4.592 4.745) 7.508 3.111 ( 5.584 5.338 -4.836) 9.114 3.215 ( -1.002 5.631 1.374) 5.882 3.262 ( 2.805 -5.677 -0.423) 6.346 3.394 ( 0.395 -8.574 2.913) 9.064 3.527 ( 2.601 0.115 5.569) 6.147 3.535 ( 2.926 0.291 4.216) 5.140 3.595 ( 3.983 0.574 -2.283) 4.627 3.619 ( 2.880 -1.907 -1.049) 3.610 3.758 ( 4.109 4.110 -0.808) 5.868 3.868 ( 3.867 -5.516 -1.424) 6.885 3.906 ( -0.186 0.970 2.025) 2.254 3.947 ( -1.670 -0.727 4.535) 4.888 4.065 ( 4.436 -0.989 3.490) 5.731 4.091 ( 4.164 -2.187 3.882) 6.098 4.136 ( -0.187 5.700 -0.462) 5.722 4.188 ( 5.934 4.484 3.899) 8.398 4.303 ( -4.727 -2.765 -0.673) 5.518 4.409 ( 1.321 -7.489 -0.123) 7.606 4.473 ( 4.515 3.523 -1.646) 5.958 4.510 ( 5.569 5.053 -6.673) 10.054 4.596 ( -3.021 -4.990 0.787) 5.886 4.653 ( -0.150 -2.474 -2.639) 3.620 4.799 ( 1.161 -1.792 1.048) 2.378 4.819 ( 1.005 -0.727 1.529) 1.968 5.062 ( 5.150 3.152 -1.725) 6.279 5.139 ( 6.662 -2.966 -4.741) 8.699 5.303 ( -1.598 8.105 -2.181) 8.545 5.415 ( 0.817 3.874 -2.178) 4.518 5.473 ( -1.675 -3.180 3.637) 5.113 5.534 ( 3.864 -4.664 -1.044) 6.146 5.735 ( -8.276 0.892 6.635) 10.645 5.743 ( -5.046 -0.262 5.571) 7.521 6.154 ( -6.696 10.402 2.089) 12.546 6.350 ( -6.766 10.387 -4.552) 13.205 6.409 ( -11.333 -7.146 3.427) 13.829 6.646 ( -5.795 -11.515 -11.291) 17.137 19.697 ( -0.004 0.531 0.038) 0.532 19.711 ( -0.384 -0.383 0.333) 0.637 19.714 ( -0.212 0.418 -0.418) 0.628 19.735 ( -0.458 -1.004 0.344) 1.156 19.912 ( 0.711 0.846 0.437) 1.189 19.928 ( 0.731 -0.583 0.639) 1.132 20.001 ( 1.838 0.153 -0.192) 1.854 20.005 ( 2.016 -0.139 -0.553) 2.095 25.084 ( -0.234 -0.002 -0.142) 0.274 25.085 ( -0.194 -0.100 -0.203) 0.298 25.137 ( -0.050 0.546 0.130) 0.564 25.151 ( -0.108 -0.730 0.102) 0.745 31.475 ( -0.179 0.247 0.038) 0.307 31.481 ( -0.275 -0.352 0.153) 0.472 31.507 ( 0.149 0.238 0.471) 0.548 31.514 ( 0.117 -0.287 0.361) 0.476 41.598 ( -5.014 7.313 3.000) 9.360 41.718 ( -4.708 -3.539 1.648) 6.116 42.120 ( 0.633 6.881 -0.224) 6.914 42.256 ( 3.960 -7.502 2.114) 8.742 42.566 ( 5.991 10.168 -9.319) 15.037 42.787 ( -3.640 -9.259 -11.997) 15.586 43.197 ( 15.818 6.504 7.017) 18.486 43.320 ( 11.339 -4.893 13.378) 18.206 ======================= Grid point 156 (91/96) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 13.966 -1.450 3.334) 14.432 1.375 ( 15.647 -2.900 -0.407) 15.919 1.932 ( -1.855 4.679 -1.128) 5.158 2.040 ( 1.171 -4.633 -3.361) 5.842 2.199 ( 2.506 6.936 0.181) 7.377 2.262 ( 1.490 1.683 -0.162) 2.254 2.673 ( 6.662 6.682 -0.115) 9.437 2.709 ( 1.864 1.336 5.851) 6.284 2.775 ( 1.667 2.082 -11.741) 12.040 2.867 ( 3.241 -5.606 -9.751) 11.705 2.923 ( -4.077 -5.590 2.966) 7.528 2.950 ( -0.104 -7.805 -2.438) 8.177 3.136 ( -2.272 4.325 -1.359) 5.071 3.275 ( 5.272 6.353 0.062) 8.255 3.281 ( -1.221 -6.876 -0.637) 7.013 3.389 ( -2.138 -4.671 2.277) 5.619 3.592 ( 3.215 1.522 7.558) 8.353 3.620 ( 3.093 1.675 -0.144) 3.521 3.682 ( 5.170 0.963 0.453) 5.278 3.697 ( 2.811 -0.923 0.300) 2.974 3.781 ( -4.434 1.215 3.191) 5.596 3.846 ( -2.623 -1.884 2.251) 3.937 3.921 ( 2.305 -2.183 2.246) 3.888 3.944 ( 1.184 -1.962 -1.343) 2.656 4.085 ( -1.644 1.118 0.900) 2.182 4.101 ( -1.571 -1.383 0.355) 2.123 4.232 ( 6.823 2.465 0.266) 7.260 4.263 ( 2.122 3.022 3.991) 5.438 4.334 ( 8.297 2.641 -1.187) 8.788 4.445 ( 2.550 -4.467 1.470) 5.350 4.527 ( 1.370 1.624 -4.477) 4.956 4.593 ( 1.180 -4.891 -0.852) 5.103 4.628 ( 4.109 1.665 1.232) 4.601 4.685 ( 3.052 -1.260 1.695) 3.712 4.806 ( 0.040 2.472 2.079) 3.230 4.839 ( 1.072 1.185 -1.154) 1.971 5.229 ( -0.574 1.363 -0.561) 1.582 5.229 ( 8.452 -0.875 -2.696) 8.914 5.308 ( 7.457 2.888 -7.373) 10.877 5.397 ( -1.245 -3.306 -1.222) 3.738 5.427 ( -2.875 7.062 2.158) 7.924 5.562 ( -2.860 -3.743 2.619) 5.390 5.599 ( -5.043 0.269 5.159) 7.220 5.626 ( -6.433 -3.815 5.162) 9.088 6.015 ( -6.660 5.903 2.110) 9.146 6.163 ( -10.688 -7.584 4.971) 14.016 6.255 ( -4.530 12.886 -7.665) 15.663 6.501 ( -6.658 -9.905 -10.701) 16.030 19.703 ( 0.551 0.283 -0.179) 0.645 19.711 ( 0.161 0.102 0.475) 0.511 19.713 ( 0.238 -0.143 -0.641) 0.699 19.729 ( -0.247 -0.982 0.503) 1.130 19.928 ( 0.746 0.803 0.572) 1.237 19.941 ( 0.412 -0.407 0.792) 0.981 20.030 ( 1.138 0.355 -0.331) 1.237 20.036 ( 1.246 -0.127 -0.687) 1.429 25.081 ( -0.092 0.045 -0.186) 0.213 25.082 ( -0.107 -0.089 -0.153) 0.207 25.137 ( 0.008 0.428 0.163) 0.458 25.147 ( -0.233 -0.520 0.109) 0.580 31.477 ( 0.436 0.169 0.010) 0.468 31.481 ( 0.271 -0.207 0.129) 0.365 31.509 ( -0.147 0.236 0.460) 0.538 31.514 ( -0.215 -0.196 0.356) 0.460 41.525 ( -3.086 5.808 3.202) 7.315 41.627 ( -4.849 -3.342 2.283) 6.316 42.087 ( -2.526 6.966 -1.712) 7.605 42.228 ( -5.172 -6.953 -0.602) 8.686 42.704 ( 6.536 2.583 -2.157) 7.351 42.778 ( 4.942 -3.988 -6.522) 9.103 43.511 ( 14.282 2.964 1.588) 14.672 43.561 ( 9.162 -1.524 9.251) 13.109 ======================= Grid point 157 (92/96) ======================= q-point: ( 0.44 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 10.788 1.800 -1.073) 10.990 1.662 ( 11.610 -3.748 1.332) 12.272 1.829 ( -7.736 4.186 -1.340) 8.898 1.953 ( -7.863 -6.904 -5.001) 11.598 2.256 ( 4.797 9.863 3.307) 11.456 2.366 ( 5.834 2.761 0.502) 6.474 2.687 ( -2.675 -0.890 0.926) 2.967 2.707 ( -6.773 2.014 4.103) 8.171 2.782 ( 3.348 -1.856 0.245) 3.836 2.836 ( -3.109 -0.525 -6.820) 7.513 2.912 ( 0.353 -4.881 -4.085) 6.375 2.955 ( 0.858 -5.039 -3.751) 6.340 3.187 ( 7.037 2.121 -1.631) 7.529 3.274 ( -2.762 -2.382 0.801) 3.734 3.349 ( 6.313 -1.570 -1.357) 6.646 3.380 ( 1.984 -4.026 3.016) 5.407 3.558 ( -6.584 3.682 0.561) 7.564 3.627 ( -8.787 -1.578 2.548) 9.284 3.679 ( 2.419 -0.302 -0.286) 2.454 3.708 ( -0.547 -1.528 -0.342) 1.659 3.793 ( 5.021 1.732 -1.591) 5.545 3.827 ( -0.430 -0.726 0.749) 1.129 3.952 ( 0.814 0.504 0.260) 0.993 3.993 ( 2.515 -3.397 -2.054) 4.699 4.125 ( 3.596 0.863 3.807) 5.307 4.134 ( 4.263 0.438 4.523) 6.231 4.283 ( -1.359 3.005 2.398) 4.077 4.301 ( -3.016 1.604 0.430) 3.443 4.497 ( 5.035 2.058 3.270) 6.346 4.527 ( 5.355 -1.067 -1.348) 5.625 4.540 ( 4.358 4.556 -3.109) 7.030 4.608 ( -0.944 -1.383 -2.141) 2.718 4.668 ( -2.507 -1.290 7.075) 7.616 4.715 ( 2.614 -2.141 1.300) 3.620 4.800 ( -1.943 2.762 -3.569) 4.913 4.833 ( 0.109 -0.664 -4.789) 4.836 5.211 ( -2.983 2.518 1.238) 4.096 5.216 ( 0.030 3.138 -0.995) 3.292 5.372 ( 2.569 0.730 0.399) 2.701 5.433 ( -3.967 -3.582 1.705) 5.610 5.483 ( -1.057 1.022 1.606) 2.177 5.508 ( -4.751 -0.669 1.350) 4.984 5.560 ( 6.647 0.172 0.284) 6.655 5.569 ( 3.783 -1.464 0.972) 4.172 5.961 ( 0.757 1.836 1.774) 2.663 6.024 ( -4.034 -4.429 1.211) 6.112 6.155 ( -3.356 7.540 -2.785) 8.710 6.311 ( -9.715 -6.872 -7.327) 13.975 19.710 ( -0.217 0.223 0.285) 0.422 19.712 ( 0.272 0.291 -0.371) 0.545 19.722 ( 0.259 -0.585 0.302) 0.707 19.728 ( 0.300 -0.846 -0.192) 0.918 19.944 ( 0.686 0.462 0.395) 0.917 19.948 ( 0.145 0.080 0.525) 0.551 20.043 ( 0.275 0.372 -0.234) 0.519 20.049 ( 0.304 -0.092 -0.691) 0.761 25.079 ( -0.007 0.029 -0.117) 0.121 25.080 ( -0.081 -0.016 -0.089) 0.122 25.139 ( 0.086 0.164 0.186) 0.263 25.143 ( -0.217 -0.245 0.097) 0.341 31.490 ( 0.684 0.020 -0.084) 0.689 31.490 ( 0.481 -0.052 0.018) 0.484 31.505 ( -0.265 0.201 0.272) 0.430 31.508 ( -0.330 -0.098 0.104) 0.359 41.504 ( 0.116 3.312 2.908) 4.409 41.554 ( -2.804 -1.063 1.699) 3.447 42.049 ( -0.449 2.995 -0.617) 3.091 42.120 ( -4.279 -3.695 -2.372) 6.131 42.775 ( 0.688 2.838 3.974) 4.932 42.857 ( 2.681 -5.183 -4.095) 7.129 43.706 ( 3.902 2.981 3.830) 6.227 43.748 ( 9.481 -1.112 -4.174) 10.418 ======================= Grid point 158 (93/96) ======================= q-point: (-0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -12.060 3.040 -0.606) 12.452 1.678 ( -8.310 -3.414 -0.754) 9.016 1.832 ( 5.804 1.518 -0.434) 6.015 1.905 ( 6.522 -5.066 -0.872) 8.304 2.330 ( -0.969 7.674 2.502) 8.129 2.347 ( -7.304 5.873 -2.378) 9.669 2.620 ( -3.708 2.250 1.931) 4.748 2.678 ( 1.983 -4.437 6.319) 7.972 2.741 ( -4.587 2.783 2.573) 5.950 2.827 ( 0.922 -4.510 -1.563) 4.861 2.910 ( 1.519 -3.457 -2.870) 4.743 2.981 ( 2.786 -6.202 -6.204) 9.204 3.173 ( -4.814 4.160 -0.200) 6.365 3.290 ( 0.618 -5.717 0.091) 5.751 3.352 ( -2.879 3.292 -2.335) 4.957 3.440 ( -3.806 -4.370 -2.284) 6.229 3.538 ( 6.841 1.555 1.611) 7.198 3.603 ( 8.356 -4.156 2.941) 9.785 3.709 ( 0.031 2.144 0.934) 2.339 3.727 ( 2.464 -0.094 -1.444) 2.858 3.800 ( 0.043 1.898 -4.032) 4.457 3.859 ( 1.966 -2.769 -2.339) 4.124 3.955 ( -1.302 0.756 0.243) 1.525 4.000 ( -0.547 -3.583 -4.244) 5.581 4.139 ( -6.533 4.236 3.669) 8.607 4.183 ( -5.536 0.657 1.312) 5.727 4.231 ( 2.169 1.675 5.101) 5.791 4.269 ( 1.454 -1.794 2.728) 3.574 4.480 ( -7.117 2.414 0.051) 7.515 4.532 ( -3.965 -2.285 1.613) 4.853 4.578 ( 0.714 0.574 1.902) 2.111 4.600 ( -1.303 -1.745 4.218) 4.747 4.623 ( -6.699 2.161 -2.970) 7.640 4.651 ( -2.073 -1.284 0.420) 2.475 4.845 ( 7.378 5.915 -6.408) 11.423 4.940 ( 5.941 -1.034 -4.548) 7.553 5.167 ( -2.345 5.024 2.269) 5.990 5.242 ( 3.169 1.914 -1.204) 3.893 5.309 ( -6.823 2.234 3.586) 8.025 5.392 ( -5.560 -2.043 3.071) 6.673 5.440 ( -0.979 0.790 3.409) 3.633 5.499 ( 7.272 -3.409 -0.826) 8.074 5.651 ( 2.441 0.050 -2.369) 3.402 5.666 ( 3.147 -0.810 -3.826) 5.020 5.987 ( 1.497 2.334 -1.327) 3.074 6.059 ( 7.144 -4.276 -2.054) 8.576 6.121 ( -5.894 0.620 0.857) 5.988 6.157 ( 2.171 -2.700 5.969) 6.902 19.704 ( -0.459 -0.013 0.401) 0.610 19.709 ( -0.592 -0.420 0.407) 0.832 19.724 ( 0.052 0.272 -0.243) 0.368 19.737 ( 0.429 -0.817 -0.579) 1.089 19.948 ( -0.202 0.727 0.048) 0.756 19.956 ( 0.357 -0.080 -0.145) 0.394 20.040 ( -0.542 0.407 0.015) 0.677 20.047 ( -0.328 -0.186 -0.503) 0.629 25.078 ( -0.086 0.079 0.016) 0.118 25.079 ( 0.004 -0.052 -0.031) 0.061 25.140 ( -0.138 0.052 0.085) 0.170 25.142 ( 0.161 -0.134 0.210) 0.297 31.489 ( -0.510 0.141 -0.005) 0.529 31.492 ( -0.335 -0.199 -0.118) 0.408 31.509 ( 0.571 0.197 -0.144) 0.621 31.512 ( 0.703 -0.062 -0.328) 0.778 41.525 ( 0.500 2.794 1.565) 3.242 41.555 ( 3.287 0.047 1.111) 3.471 42.050 ( -0.301 1.253 -0.162) 1.299 42.095 ( 3.322 -2.447 -0.708) 4.186 42.745 ( -5.313 2.900 5.596) 8.243 42.835 ( -4.085 -6.007 -1.151) 7.355 43.726 ( -1.980 7.394 -2.493) 8.051 43.856 ( 3.305 -5.127 -9.384) 11.192 ======================= Grid point 159 (94/96) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -13.174 3.522 0.769) 13.659 1.464 ( -10.651 -6.791 -4.784) 13.507 1.927 ( 2.063 2.735 -1.368) 3.689 1.996 ( 1.844 -3.038 0.668) 3.616 2.198 ( -3.983 4.849 2.442) 6.734 2.238 ( -8.003 0.793 3.243) 8.671 2.579 ( -1.777 6.271 3.686) 7.488 2.628 ( -8.290 10.642 3.120) 13.846 2.699 ( -2.525 -4.571 4.475) 6.878 2.803 ( -2.592 -4.524 -0.933) 5.297 2.943 ( 1.488 -4.516 -3.479) 5.892 2.994 ( 0.733 -7.827 -2.067) 8.128 3.182 ( 5.967 4.324 -4.184) 8.474 3.272 ( -0.656 0.196 -1.666) 1.801 3.306 ( -2.011 -1.930 -1.322) 3.085 3.390 ( -1.163 -4.796 1.519) 5.164 3.604 ( -3.741 4.523 1.203) 5.992 3.685 ( -1.051 -3.456 -0.499) 3.646 3.695 ( 0.872 4.791 -1.432) 5.076 3.787 ( 0.932 -4.112 -5.193) 6.690 3.813 ( -2.229 0.459 0.819) 2.418 3.860 ( -3.772 -3.487 1.010) 5.235 3.936 ( 4.018 3.069 -3.286) 6.030 4.013 ( 2.971 -2.101 -4.265) 5.606 4.037 ( -0.981 1.410 2.895) 3.366 4.089 ( -1.554 -0.408 1.384) 2.120 4.239 ( -3.672 0.273 0.328) 3.696 4.254 ( -4.952 -0.768 1.653) 5.276 4.345 ( -3.425 5.379 2.541) 6.864 4.449 ( -8.898 1.624 -0.495) 9.058 4.498 ( -1.470 -4.127 3.611) 5.677 4.552 ( -3.075 -1.562 -4.004) 5.285 4.593 ( -1.254 -1.026 1.622) 2.293 4.618 ( -2.270 -3.315 5.846) 7.094 4.908 ( 0.140 4.831 -5.797) 7.547 4.922 ( -2.085 3.240 -2.525) 4.607 5.094 ( -6.636 0.822 6.830) 9.559 5.180 ( -6.817 -3.659 1.776) 7.938 5.283 ( -0.346 5.506 -1.780) 5.797 5.380 ( -0.173 -0.468 -0.461) 0.679 5.504 ( 8.603 3.033 -4.929) 10.369 5.573 ( -0.416 -3.249 -0.377) 3.298 5.699 ( 5.324 1.748 -1.867) 5.907 5.749 ( 7.005 -3.005 -4.591) 8.898 6.046 ( 5.342 8.259 -1.195) 9.908 6.080 ( -0.098 8.817 7.594) 11.637 6.238 ( 9.346 -9.129 3.287) 13.471 6.269 ( 7.828 -9.633 5.684) 13.652 19.697 ( -0.497 -0.262 0.418) 0.700 19.698 ( -0.256 -0.303 0.616) 0.732 19.723 ( -0.024 0.621 -0.517) 0.809 19.741 ( 0.166 -0.925 -0.548) 1.087 19.939 ( -0.621 1.089 -0.415) 1.321 19.955 ( -0.380 -0.473 -0.455) 0.758 20.023 ( -1.188 0.468 0.212) 1.294 20.032 ( -1.030 -0.366 -0.369) 1.154 25.077 ( 0.026 0.102 0.128) 0.166 25.080 ( 0.031 -0.114 0.077) 0.141 25.138 ( -0.072 0.323 0.090) 0.342 25.146 ( 0.157 -0.401 0.245) 0.495 31.480 ( -0.290 0.258 -0.194) 0.433 31.486 ( -0.143 -0.346 -0.283) 0.470 31.518 ( 0.263 0.263 -0.345) 0.507 31.522 ( 0.325 -0.142 -0.471) 0.589 41.562 ( 3.077 5.729 0.250) 6.508 41.645 ( 5.043 -1.870 0.428) 5.396 42.069 ( 2.139 5.220 -0.058) 5.641 42.199 ( 6.113 -6.666 1.957) 9.254 42.604 ( -10.089 3.334 5.095) 11.784 42.705 ( -8.525 -6.643 1.659) 10.935 43.622 ( -6.659 10.835 -8.830) 15.482 43.822 ( -3.240 -8.386 -14.422) 16.994 ======================= Grid point 160 (95/96) ======================= q-point: (-0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -13.185 5.156 -0.535) 14.167 1.258 ( -8.277 -9.597 -9.015) 15.552 1.887 ( -4.560 5.246 3.315) 7.701 1.997 ( -1.231 -2.885 -0.861) 3.253 2.099 ( -6.164 3.614 2.107) 7.449 2.212 ( 1.151 -3.436 3.211) 4.841 2.469 ( -6.661 13.308 1.561) 14.963 2.559 ( -1.274 5.095 4.367) 6.830 2.623 ( -3.557 -1.387 1.391) 4.063 2.758 ( -2.608 -10.771 2.489) 11.358 2.969 ( 2.625 4.511 0.182) 5.222 3.043 ( 1.445 -1.992 0.883) 2.615 3.128 ( -5.200 2.654 -1.376) 5.998 3.259 ( -6.156 -3.679 0.978) 7.238 3.334 ( 5.536 -0.512 -7.498) 9.334 3.396 ( 2.008 -4.699 0.837) 5.178 3.522 ( -5.790 1.961 3.068) 6.839 3.585 ( -7.527 -5.138 0.445) 9.125 3.625 ( -4.690 4.107 -3.887) 7.347 3.711 ( -5.128 -3.520 -6.866) 9.264 3.735 ( -3.497 3.319 1.816) 5.152 3.838 ( -2.827 -4.195 2.124) 5.487 3.944 ( -1.687 4.407 -1.558) 4.969 4.002 ( -0.343 3.306 3.579) 4.884 4.064 ( -2.677 0.086 -2.668) 3.780 4.118 ( -2.945 0.694 -0.551) 3.076 4.158 ( 4.118 0.834 1.698) 4.532 4.267 ( -0.437 1.181 -2.671) 2.952 4.287 ( -3.406 -2.743 0.970) 4.479 4.325 ( 1.133 2.405 1.990) 3.320 4.411 ( -8.010 -5.421 3.175) 10.180 4.468 ( -3.101 -3.129 -1.233) 4.575 4.588 ( 1.484 -1.104 0.046) 1.850 4.638 ( 2.690 -4.405 0.639) 5.201 4.845 ( -2.555 5.164 -5.944) 8.278 4.914 ( -1.233 -0.893 -3.357) 3.686 5.021 ( -1.588 0.158 2.721) 3.154 5.081 ( -0.790 -4.402 0.483) 4.498 5.267 ( -1.848 7.354 0.908) 7.637 5.360 ( -1.035 0.203 2.669) 2.870 5.510 ( -3.682 0.191 -0.284) 3.697 5.578 ( -0.154 -3.870 -4.384) 5.850 5.827 ( 1.096 2.411 -1.928) 3.276 5.841 ( 3.924 1.299 -2.349) 4.754 6.153 ( 7.090 13.803 5.922) 16.609 6.186 ( 7.859 13.925 2.830) 16.238 6.400 ( 7.323 -10.482 11.966) 17.512 6.526 ( 15.220 -16.916 -5.199) 23.342 19.693 ( 0.134 0.289 0.387) 0.502 19.704 ( 0.613 -0.327 0.405) 0.804 19.722 ( 0.142 0.565 -0.485) 0.758 19.743 ( 0.251 -1.050 -0.418) 1.157 19.922 ( -1.022 1.061 -0.394) 1.525 19.939 ( -1.147 -0.623 -0.334) 1.347 19.995 ( -1.672 0.387 0.161) 1.724 20.004 ( -1.624 -0.468 -0.433) 1.744 25.081 ( 0.237 0.007 0.220) 0.323 25.082 ( 0.182 -0.103 0.170) 0.269 25.137 ( -0.031 0.482 0.120) 0.498 25.149 ( 0.030 -0.579 0.279) 0.644 31.478 ( 0.164 0.307 -0.231) 0.418 31.486 ( 0.229 -0.472 -0.295) 0.601 31.517 ( -0.203 0.239 -0.425) 0.528 31.522 ( -0.227 -0.148 -0.442) 0.518 41.639 ( 4.533 7.246 -0.311) 8.553 41.739 ( 4.203 -1.866 -0.277) 4.607 42.107 ( 0.523 6.939 0.567) 6.982 42.260 ( -4.870 -6.679 2.402) 8.608 42.447 ( -3.687 2.813 2.094) 5.089 42.568 ( -3.714 -7.161 7.155) 10.783 43.426 ( -9.787 12.281 -14.185) 21.162 43.656 ( -8.535 -9.731 -18.152) 22.294 ======================= Grid point 161 (96/96) ======================= q-point: (-0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -9.870 5.846 0.333) 11.476 1.077 ( -7.503 -13.728 -11.429) 19.374 1.808 ( -4.837 9.326 7.378) 12.838 1.963 ( -1.700 0.691 -3.035) 3.547 2.010 ( -2.663 3.286 1.916) 4.643 2.178 ( -3.722 -3.677 -3.094) 6.079 2.422 ( 1.004 6.124 1.445) 6.372 2.577 ( -0.007 1.066 6.250) 6.341 2.626 ( 3.162 1.579 -1.500) 3.839 2.686 ( -4.315 -3.344 3.125) 6.290 2.926 ( -5.479 6.062 4.792) 9.472 3.056 ( -6.181 -1.187 2.103) 6.636 3.099 ( 6.285 4.312 4.141) 8.674 3.228 ( 4.232 -5.993 3.202) 8.005 3.322 ( -7.429 1.657 -3.823) 8.518 3.392 ( 0.224 1.714 -0.927) 1.961 3.435 ( -4.198 -6.334 0.862) 7.648 3.471 ( 0.073 -5.857 -1.319) 6.004 3.571 ( -1.507 1.830 -1.103) 2.615 3.613 ( -3.431 -2.637 -0.651) 4.376 3.698 ( -0.956 2.719 -1.340) 3.179 3.735 ( -5.178 1.039 1.574) 5.510 3.893 ( -4.310 4.993 -5.167) 8.379 3.960 ( -4.756 -2.384 -1.277) 5.471 3.999 ( -0.849 0.319 -1.060) 1.395 4.073 ( -2.520 -1.837 -1.826) 3.614 4.139 ( -5.415 2.189 -4.162) 7.172 4.214 ( -5.892 -6.149 -4.749) 9.751 4.268 ( 4.119 1.486 2.311) 4.952 4.352 ( 3.381 -5.699 4.278) 7.888 4.398 ( 2.199 1.164 2.172) 3.303 4.456 ( 1.917 -3.224 1.669) 4.106 4.628 ( 1.021 1.773 1.382) 2.469 4.685 ( 0.374 -3.022 2.041) 3.665 4.792 ( -0.559 1.124 -6.353) 6.476 4.851 ( -2.770 -3.575 -4.959) 6.712 5.047 ( 4.174 4.889 -0.447) 6.443 5.143 ( 2.777 -3.376 0.835) 4.451 5.237 ( 0.435 2.853 -0.569) 2.942 5.317 ( -5.185 -4.369 3.829) 7.786 5.474 ( 1.809 6.093 -1.809) 6.608 5.559 ( -0.383 -1.202 -0.603) 1.398 5.765 ( -5.204 4.706 0.538) 7.037 5.811 ( -5.106 0.622 1.112) 5.262 6.305 ( 3.566 13.098 9.148) 16.370 6.377 ( 10.920 18.270 -4.782) 21.815 6.576 ( 5.935 -12.533 11.502) 18.017 6.775 ( 10.895 -19.143 -7.615) 23.306 19.704 ( 0.852 0.976 0.107) 1.299 19.719 ( 0.416 1.196 0.052) 1.268 19.729 ( 0.902 -0.973 -0.197) 1.341 19.747 ( 0.219 -1.154 -0.203) 1.192 19.900 ( -0.990 0.616 -0.069) 1.168 19.911 ( -1.506 -0.455 0.009) 1.573 19.965 ( -1.292 0.134 0.012) 1.299 19.972 ( -1.405 -0.497 -0.443) 1.555 25.086 ( 0.232 0.052 0.257) 0.350 25.089 ( 0.378 -0.227 0.108) 0.454 25.138 ( 0.113 0.351 0.178) 0.410 25.148 ( -0.182 -0.556 0.264) 0.642 31.483 ( 0.414 0.283 -0.107) 0.513 31.492 ( 0.378 -0.467 -0.171) 0.624 31.509 ( -0.472 0.147 -0.346) 0.603 31.513 ( -0.474 -0.199 -0.259) 0.576 41.731 ( 4.863 6.672 -0.422) 8.267 41.804 ( 2.447 -0.048 -0.129) 2.451 42.048 ( -6.315 1.635 1.075) 6.611 42.084 ( -9.136 -0.672 -1.123) 9.230 42.451 ( 3.283 6.755 4.254) 8.632 42.641 ( 5.098 -9.558 10.260) 14.920 43.166 ( -12.014 13.702 -15.148) 23.697 43.419 ( -9.347 -10.508 -19.073) 23.697 =================== 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 3/22680 10.0 84.595 51.619 45.349 0.000 -10.501 0.000 3/22680 20.0 20.435 11.941 8.335 0.000 -3.135 0.000 3/22680 30.0 8.166 4.879 3.404 0.000 -1.266 0.000 3/22680 40.0 4.609 2.790 2.004 0.000 -0.699 0.000 3/22680 50.0 3.150 1.921 1.419 0.000 -0.464 0.000 3/22680 60.0 2.402 1.473 1.113 0.000 -0.346 0.000 3/22680 70.0 1.956 1.205 0.927 0.000 -0.278 0.000 3/22680 80.0 1.662 1.027 0.800 0.000 -0.234 0.000 3/22680 90.0 1.451 0.900 0.708 0.000 -0.204 0.000 3/22680 100.0 1.292 0.804 0.636 0.000 -0.181 0.000 3/22680 110.0 1.167 0.728 0.579 0.000 -0.163 0.000 3/22680 120.0 1.065 0.666 0.532 0.000 -0.149 0.000 3/22680 130.0 0.981 0.614 0.492 0.000 -0.137 0.000 3/22680 140.0 0.910 0.571 0.458 0.000 -0.127 0.000 3/22680 150.0 0.848 0.533 0.429 0.000 -0.119 0.000 3/22680 160.0 0.795 0.500 0.403 0.000 -0.111 0.000 3/22680 170.0 0.749 0.471 0.381 0.000 -0.105 0.000 3/22680 180.0 0.707 0.446 0.360 0.000 -0.099 0.000 3/22680 190.0 0.671 0.423 0.342 0.000 -0.094 0.000 3/22680 200.0 0.638 0.403 0.326 0.000 -0.089 0.000 3/22680 210.0 0.608 0.384 0.312 0.000 -0.085 0.000 3/22680 220.0 0.582 0.368 0.299 0.000 -0.081 0.000 3/22680 230.0 0.558 0.352 0.288 0.000 -0.078 0.000 3/22680 240.0 0.536 0.339 0.278 0.000 -0.075 0.000 3/22680 250.0 0.516 0.326 0.269 0.000 -0.072 0.000 3/22680 260.0 0.498 0.315 0.260 0.000 -0.069 0.000 3/22680 270.0 0.481 0.305 0.253 0.000 -0.066 0.000 3/22680 280.0 0.466 0.295 0.247 0.000 -0.064 0.000 3/22680 290.0 0.452 0.286 0.241 0.000 -0.062 0.000 3/22680 300.0 0.439 0.278 0.236 0.000 -0.060 0.000 3/22680 310.0 0.427 0.271 0.232 0.000 -0.058 0.000 3/22680 320.0 0.416 0.264 0.228 0.000 -0.056 0.000 3/22680 330.0 0.406 0.258 0.225 0.000 -0.054 0.000 3/22680 340.0 0.397 0.252 0.222 0.000 -0.053 0.000 3/22680 350.0 0.388 0.247 0.219 0.000 -0.051 0.000 3/22680 360.0 0.380 0.242 0.217 0.000 -0.050 0.000 3/22680 370.0 0.372 0.237 0.215 0.000 -0.048 0.000 3/22680 380.0 0.365 0.233 0.213 0.000 -0.047 0.000 3/22680 390.0 0.359 0.229 0.212 0.000 -0.046 0.000 3/22680 400.0 0.353 0.225 0.210 0.000 -0.044 0.000 3/22680 410.0 0.347 0.222 0.209 0.000 -0.043 0.000 3/22680 420.0 0.342 0.219 0.208 0.000 -0.042 0.000 3/22680 430.0 0.336 0.215 0.208 0.000 -0.041 0.000 3/22680 440.0 0.332 0.213 0.207 0.000 -0.040 0.000 3/22680 450.0 0.327 0.210 0.206 0.000 -0.039 0.000 3/22680 460.0 0.323 0.207 0.206 0.000 -0.038 0.000 3/22680 470.0 0.318 0.205 0.205 0.000 -0.037 0.000 3/22680 480.0 0.314 0.202 0.204 0.000 -0.037 0.000 3/22680 490.0 0.311 0.200 0.204 0.000 -0.036 0.000 3/22680 500.0 0.307 0.198 0.204 0.000 -0.035 0.000 3/22680 510.0 0.304 0.196 0.203 0.000 -0.034 0.000 3/22680 520.0 0.300 0.194 0.203 0.000 -0.034 0.000 3/22680 530.0 0.297 0.192 0.202 0.000 -0.033 0.000 3/22680 540.0 0.294 0.190 0.202 0.000 -0.032 0.000 3/22680 550.0 0.291 0.188 0.201 0.000 -0.032 0.000 3/22680 560.0 0.288 0.186 0.201 0.000 -0.031 0.000 3/22680 570.0 0.285 0.184 0.201 0.000 -0.030 0.000 3/22680 580.0 0.282 0.183 0.200 0.000 -0.030 0.000 3/22680 590.0 0.280 0.181 0.200 0.000 -0.029 0.000 3/22680 600.0 0.277 0.180 0.199 0.000 -0.029 0.000 3/22680 610.0 0.275 0.178 0.199 0.000 -0.028 0.000 3/22680 620.0 0.272 0.177 0.198 0.000 -0.028 0.000 3/22680 630.0 0.270 0.175 0.198 0.000 -0.027 0.000 3/22680 640.0 0.267 0.174 0.197 0.000 -0.027 0.000 3/22680 650.0 0.265 0.172 0.196 0.000 -0.026 0.000 3/22680 660.0 0.263 0.171 0.196 0.000 -0.026 0.000 3/22680 670.0 0.261 0.169 0.195 0.000 -0.026 0.000 3/22680 680.0 0.258 0.168 0.195 0.000 -0.025 0.000 3/22680 690.0 0.256 0.167 0.194 0.000 -0.025 0.000 3/22680 700.0 0.254 0.165 0.193 0.000 -0.024 0.000 3/22680 710.0 0.252 0.164 0.193 0.000 -0.024 0.000 3/22680 720.0 0.250 0.163 0.192 0.000 -0.024 0.000 3/22680 730.0 0.248 0.162 0.191 0.000 -0.023 0.000 3/22680 740.0 0.246 0.160 0.191 0.000 -0.023 0.000 3/22680 750.0 0.244 0.159 0.190 0.000 -0.023 0.000 3/22680 760.0 0.242 0.158 0.189 0.000 -0.022 0.000 3/22680 770.0 0.240 0.157 0.188 0.000 -0.022 0.000 3/22680 780.0 0.239 0.156 0.188 0.000 -0.022 0.000 3/22680 790.0 0.237 0.155 0.187 0.000 -0.021 0.000 3/22680 800.0 0.235 0.154 0.186 0.000 -0.021 0.000 3/22680 810.0 0.233 0.152 0.185 0.000 -0.021 0.000 3/22680 820.0 0.231 0.151 0.184 0.000 -0.021 0.000 3/22680 830.0 0.230 0.150 0.184 0.000 -0.020 0.000 3/22680 840.0 0.228 0.149 0.183 0.000 -0.020 0.000 3/22680 850.0 0.226 0.148 0.182 0.000 -0.020 0.000 3/22680 860.0 0.225 0.147 0.181 0.000 -0.019 0.000 3/22680 870.0 0.223 0.146 0.180 0.000 -0.019 0.000 3/22680 880.0 0.222 0.145 0.180 0.000 -0.019 0.000 3/22680 890.0 0.220 0.144 0.179 0.000 -0.019 0.000 3/22680 900.0 0.218 0.143 0.178 0.000 -0.019 0.000 3/22680 910.0 0.217 0.142 0.177 0.000 -0.018 0.000 3/22680 920.0 0.215 0.141 0.176 0.000 -0.018 0.000 3/22680 930.0 0.214 0.140 0.175 0.000 -0.018 0.000 3/22680 940.0 0.212 0.139 0.174 0.000 -0.018 0.000 3/22680 950.0 0.211 0.138 0.174 0.000 -0.018 0.000 3/22680 960.0 0.209 0.137 0.173 0.000 -0.017 0.000 3/22680 970.0 0.208 0.137 0.172 0.000 -0.017 0.000 3/22680 980.0 0.207 0.136 0.171 0.000 -0.017 0.000 3/22680 990.0 0.205 0.135 0.170 0.000 -0.017 0.000 3/22680 1000.0 0.204 0.134 0.169 0.000 -0.017 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:00:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|