----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:01:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 7.532313600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.386125559999999 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): *1 Sm 0.64784701049101 0.72217513725265 0.39557414674739 150.360 2 Sm 0.64784701049101 0.77782486274735 0.89557414674739 150.360 3 Sm 0.35215298950899 0.22217513725265 0.10442585325261 150.360 4 Sm 0.35215298950899 0.27782486274735 0.60442585325261 150.360 *5 Ta 0.83504052024220 0.22916427062238 0.19157551966178 180.948 6 Ta 0.83504052024220 0.27083572937762 0.69157551966178 180.948 7 Ta 0.16495947975780 0.72916427062238 0.30842448033822 180.948 8 Ta 0.16495947975780 0.77083572937762 0.80842448033822 180.948 *9 O 0.93637554464082 0.90410218984858 0.30639304011616 15.999 10 O 0.93637554464082 0.59589781015142 0.80639304011616 15.999 *11 O 0.83346383312415 0.36116033614502 0.44000963676065 15.999 12 O 0.83346383312415 0.13883966385498 0.94000963676065 15.999 *13 O 0.66760387985829 0.49326204867118 0.12584470705052 15.999 *14 O 0.61416421198389 0.00934662787069 0.16815271703435 15.999 15 O 0.66760387985829 0.00673795132883 0.62584470705052 15.999 16 O 0.61416421198389 0.49065337212931 0.66815271703435 15.999 17 O 0.38583578801612 0.50934662787069 0.33184728296564 15.999 18 O 0.33239612014171 0.99326204867117 0.37415529294948 15.999 19 O 0.38583578801612 0.99065337212931 0.83184728296565 15.999 20 O 0.33239612014171 0.50673795132883 0.87415529294948 15.999 21 O 0.16653616687585 0.86116033614502 0.05999036323935 15.999 22 O 0.16653616687585 0.63883966385498 0.55999036323935 15.999 23 O 0.06362445535918 0.40410218984858 0.19360695988384 15.999 24 O 0.06362445535918 0.09589781015142 0.69360695988384 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.532313600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.386125559999999 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): *1 Sm 0.64784701049101 0.72217513725265 0.39557414674739 150.360 > 1 2 Sm 0.64784701049101 0.77782486274735 0.89557414674739 150.360 > 2 3 Sm 0.35215298950899 0.22217513725265 0.10442585325261 150.360 > 3 4 Sm 0.35215298950899 0.27782486274735 0.60442585325261 150.360 > 4 *5 Ta 0.83504052024220 0.22916427062238 0.19157551966178 180.948 > 5 6 Ta 0.83504052024220 0.27083572937762 0.69157551966178 180.948 > 6 7 Ta 0.16495947975780 0.72916427062238 0.30842448033822 180.948 > 7 8 Ta 0.16495947975780 0.77083572937762 0.80842448033822 180.948 > 8 *9 O 0.93637554464082 0.90410218984858 0.30639304011616 15.999 > 9 10 O 0.93637554464082 0.59589781015142 0.80639304011616 15.999 > 10 *11 O 0.83346383312415 0.36116033614502 0.44000963676065 15.999 > 11 12 O 0.83346383312415 0.13883966385498 0.94000963676065 15.999 > 12 *13 O 0.66760387985829 0.49326204867118 0.12584470705052 15.999 > 13 *14 O 0.61416421198389 0.00934662787069 0.16815271703435 15.999 > 14 15 O 0.66760387985829 0.00673795132883 0.62584470705052 15.999 > 15 16 O 0.61416421198389 0.49065337212931 0.66815271703435 15.999 > 16 17 O 0.38583578801612 0.50934662787069 0.33184728296564 15.999 > 17 18 O 0.33239612014171 0.99326204867117 0.37415529294948 15.999 > 18 19 O 0.38583578801612 0.99065337212931 0.83184728296565 15.999 > 19 20 O 0.33239612014171 0.50673795132883 0.87415529294948 15.999 > 20 21 O 0.16653616687585 0.86116033614502 0.05999036323935 15.999 > 21 22 O 0.16653616687585 0.63883966385498 0.55999036323935 15.999 > 22 23 O 0.06362445535918 0.40410218984858 0.19360695988384 15.999 > 23 24 O 0.06362445535918 0.09589781015142 0.69360695988384 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.064627200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.772251119999998 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): *1 Sm 0.32392350524551 0.36108756862632 0.39557414674739 150.360 > 1 2 Sm 0.82392350524551 0.36108756862632 0.39557414674739 150.360 > 1 3 Sm 0.32392350524551 0.86108756862632 0.39557414674739 150.360 > 1 4 Sm 0.82392350524551 0.86108756862632 0.39557414674739 150.360 > 1 5 Sm 0.32392350524551 0.38891243137368 0.89557414674739 150.360 > 2 6 Sm 0.82392350524551 0.38891243137368 0.89557414674739 150.360 > 2 7 Sm 0.32392350524551 0.88891243137368 0.89557414674739 150.360 > 2 8 Sm 0.82392350524551 0.88891243137368 0.89557414674739 150.360 > 2 9 Sm 0.17607649475449 0.11108756862632 0.10442585325261 150.360 > 3 10 Sm 0.67607649475449 0.11108756862632 0.10442585325261 150.360 > 3 11 Sm 0.17607649475449 0.61108756862632 0.10442585325261 150.360 > 3 12 Sm 0.67607649475449 0.61108756862632 0.10442585325261 150.360 > 3 13 Sm 0.17607649475449 0.13891243137368 0.60442585325261 150.360 > 4 14 Sm 0.67607649475449 0.13891243137368 0.60442585325261 150.360 > 4 15 Sm 0.17607649475449 0.63891243137368 0.60442585325261 150.360 > 4 16 Sm 0.67607649475449 0.63891243137368 0.60442585325261 150.360 > 4 *17 Ta 0.41752026012110 0.11458213531119 0.19157551966178 180.948 > 5 18 Ta 0.91752026012110 0.11458213531119 0.19157551966178 180.948 > 5 19 Ta 0.41752026012110 0.61458213531119 0.19157551966178 180.948 > 5 20 Ta 0.91752026012110 0.61458213531119 0.19157551966178 180.948 > 5 21 Ta 0.41752026012110 0.13541786468881 0.69157551966178 180.948 > 6 22 Ta 0.91752026012110 0.13541786468881 0.69157551966178 180.948 > 6 23 Ta 0.41752026012110 0.63541786468881 0.69157551966178 180.948 > 6 24 Ta 0.91752026012110 0.63541786468881 0.69157551966178 180.948 > 6 25 Ta 0.08247973987890 0.36458213531119 0.30842448033822 180.948 > 7 26 Ta 0.58247973987890 0.36458213531119 0.30842448033822 180.948 > 7 27 Ta 0.08247973987890 0.86458213531119 0.30842448033822 180.948 > 7 28 Ta 0.58247973987890 0.86458213531119 0.30842448033822 180.948 > 7 29 Ta 0.08247973987890 0.38541786468881 0.80842448033822 180.948 > 8 30 Ta 0.58247973987890 0.38541786468881 0.80842448033822 180.948 > 8 31 Ta 0.08247973987890 0.88541786468881 0.80842448033822 180.948 > 8 32 Ta 0.58247973987890 0.88541786468881 0.80842448033822 180.948 > 8 *33 O 0.46818777232041 0.45205109492429 0.30639304011616 15.999 > 9 34 O 0.96818777232041 0.45205109492429 0.30639304011616 15.999 > 9 35 O 0.46818777232041 0.95205109492429 0.30639304011616 15.999 > 9 36 O 0.96818777232041 0.95205109492429 0.30639304011616 15.999 > 9 37 O 0.46818777232041 0.29794890507571 0.80639304011616 15.999 > 10 38 O 0.96818777232041 0.29794890507571 0.80639304011616 15.999 > 10 39 O 0.46818777232041 0.79794890507571 0.80639304011616 15.999 > 10 40 O 0.96818777232041 0.79794890507571 0.80639304011616 15.999 > 10 *41 O 0.41673191656208 0.18058016807251 0.44000963676065 15.999 > 11 42 O 0.91673191656208 0.18058016807251 0.44000963676065 15.999 > 11 43 O 0.41673191656208 0.68058016807251 0.44000963676065 15.999 > 11 44 O 0.91673191656208 0.68058016807251 0.44000963676065 15.999 > 11 45 O 0.41673191656208 0.06941983192749 0.94000963676065 15.999 > 12 46 O 0.91673191656208 0.06941983192749 0.94000963676065 15.999 > 12 47 O 0.41673191656208 0.56941983192749 0.94000963676065 15.999 > 12 48 O 0.91673191656208 0.56941983192749 0.94000963676065 15.999 > 12 *49 O 0.33380193992914 0.24663102433559 0.12584470705052 15.999 > 13 50 O 0.83380193992914 0.24663102433559 0.12584470705052 15.999 > 13 51 O 0.33380193992914 0.74663102433559 0.12584470705052 15.999 > 13 52 O 0.83380193992914 0.74663102433559 0.12584470705052 15.999 > 13 *53 O 0.30708210599194 0.00467331393535 0.16815271703435 15.999 > 14 54 O 0.80708210599194 0.00467331393535 0.16815271703435 15.999 > 14 55 O 0.30708210599194 0.50467331393535 0.16815271703435 15.999 > 14 56 O 0.80708210599194 0.50467331393535 0.16815271703435 15.999 > 14 57 O 0.33380193992914 0.00336897566441 0.62584470705052 15.999 > 15 58 O 0.83380193992914 0.00336897566441 0.62584470705052 15.999 > 15 59 O 0.33380193992914 0.50336897566441 0.62584470705052 15.999 > 15 60 O 0.83380193992914 0.50336897566441 0.62584470705052 15.999 > 15 61 O 0.30708210599194 0.24532668606465 0.66815271703435 15.999 > 16 62 O 0.80708210599194 0.24532668606465 0.66815271703435 15.999 > 16 63 O 0.30708210599194 0.74532668606465 0.66815271703435 15.999 > 16 64 O 0.80708210599194 0.74532668606465 0.66815271703435 15.999 > 16 65 O 0.19291789400806 0.25467331393535 0.33184728296564 15.999 > 17 66 O 0.69291789400806 0.25467331393535 0.33184728296564 15.999 > 17 67 O 0.19291789400806 0.75467331393535 0.33184728296564 15.999 > 17 68 O 0.69291789400806 0.75467331393535 0.33184728296564 15.999 > 17 69 O 0.16619806007086 0.49663102433559 0.37415529294948 15.999 > 18 70 O 0.66619806007086 0.49663102433559 0.37415529294948 15.999 > 18 71 O 0.16619806007086 0.99663102433559 0.37415529294948 15.999 > 18 72 O 0.66619806007086 0.99663102433559 0.37415529294948 15.999 > 18 73 O 0.19291789400806 0.49532668606465 0.83184728296565 15.999 > 19 74 O 0.69291789400806 0.49532668606465 0.83184728296565 15.999 > 19 75 O 0.19291789400806 0.99532668606465 0.83184728296565 15.999 > 19 76 O 0.69291789400806 0.99532668606465 0.83184728296565 15.999 > 19 77 O 0.16619806007086 0.25336897566441 0.87415529294948 15.999 > 20 78 O 0.66619806007086 0.25336897566441 0.87415529294948 15.999 > 20 79 O 0.16619806007086 0.75336897566441 0.87415529294948 15.999 > 20 80 O 0.66619806007086 0.75336897566441 0.87415529294948 15.999 > 20 81 O 0.08326808343792 0.43058016807251 0.05999036323935 15.999 > 21 82 O 0.58326808343792 0.43058016807251 0.05999036323935 15.999 > 21 83 O 0.08326808343792 0.93058016807251 0.05999036323935 15.999 > 21 84 O 0.58326808343792 0.93058016807251 0.05999036323935 15.999 > 21 85 O 0.08326808343792 0.31941983192749 0.55999036323935 15.999 > 22 86 O 0.58326808343792 0.31941983192749 0.55999036323935 15.999 > 22 87 O 0.08326808343792 0.81941983192749 0.55999036323935 15.999 > 22 88 O 0.58326808343792 0.81941983192749 0.55999036323935 15.999 > 22 89 O 0.03181222767959 0.20205109492429 0.19360695988384 15.999 > 23 90 O 0.53181222767959 0.20205109492429 0.19360695988384 15.999 > 23 91 O 0.03181222767959 0.70205109492429 0.19360695988384 15.999 > 23 92 O 0.53181222767959 0.70205109492429 0.19360695988384 15.999 > 23 93 O 0.03181222767959 0.04794890507571 0.69360695988384 15.999 > 24 94 O 0.53181222767959 0.04794890507571 0.69360695988384 15.999 > 24 95 O 0.03181222767959 0.54794890507571 0.69360695988384 15.999 > 24 96 O 0.53181222767959 0.54794890507571 0.69360695988384 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0270310 0.0000000 0.1084373 0.0000000 5.1734839 0.0000000 0.1084360 0.0000000 5.2194547 -------------------------- Born effective charges -------------------------- 1 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 2 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 3 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 4 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 5 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 6 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 7 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 8 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 9 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 10 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 11 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 12 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 13 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 14 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 15 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 16 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 17 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 18 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 19 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 20 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 21 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 22 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 23 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 24 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 ---------------------------------------------------------------------------- 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 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, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), 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: 0.598 Solver_block: 300 / 720 - Time: 0.595 Solver_block: 400 / 720 - Time: 0.592 Solver_block: 500 / 720 - Time: 0.603 Solver_block: 600 / 720 - Time: 0.595 Solver_block: 700 / 720 - Time: 0.592 Solver_block: 720 / 720 - Time: 0.223 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.573 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 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, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), 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 2026-01-09 02:01:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:01:50]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.532313600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.386125559999999 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): 1 Sm 0.64784701049101 0.72217513725265 0.39557414674739 150.360 2 Sm 0.64784701049101 0.77782486274735 0.89557414674739 150.360 3 Sm 0.35215298950899 0.22217513725265 0.10442585325261 150.360 4 Sm 0.35215298950899 0.27782486274735 0.60442585325261 150.360 5 Ta 0.83504052024220 0.22916427062238 0.19157551966178 180.948 6 Ta 0.83504052024220 0.27083572937762 0.69157551966178 180.948 7 Ta 0.16495947975780 0.72916427062238 0.30842448033822 180.948 8 Ta 0.16495947975780 0.77083572937762 0.80842448033822 180.948 9 O 0.93637554464082 0.90410218984858 0.30639304011616 15.999 10 O 0.93637554464082 0.59589781015142 0.80639304011616 15.999 11 O 0.83346383312415 0.36116033614502 0.44000963676065 15.999 12 O 0.83346383312415 0.13883966385498 0.94000963676065 15.999 13 O 0.66760387985829 0.49326204867118 0.12584470705052 15.999 14 O 0.61416421198389 0.00934662787069 0.16815271703435 15.999 15 O 0.66760387985829 0.00673795132883 0.62584470705052 15.999 16 O 0.61416421198389 0.49065337212931 0.66815271703435 15.999 17 O 0.38583578801612 0.50934662787069 0.33184728296564 15.999 18 O 0.33239612014171 0.99326204867117 0.37415529294948 15.999 19 O 0.38583578801612 0.99065337212931 0.83184728296565 15.999 20 O 0.33239612014171 0.50673795132883 0.87415529294948 15.999 21 O 0.16653616687585 0.86116033614502 0.05999036323935 15.999 22 O 0.16653616687585 0.63883966385498 0.55999036323935 15.999 23 O 0.06362445535918 0.40410218984858 0.19360695988384 15.999 24 O 0.06362445535918 0.09589781015142 0.69360695988384 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.064627200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.772251119999998 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): 1 Sm 0.32392350524551 0.36108756862632 0.39557414674739 150.360 > 1 2 Sm 0.82392350524551 0.36108756862632 0.39557414674739 150.360 > 1 3 Sm 0.32392350524551 0.86108756862632 0.39557414674739 150.360 > 1 4 Sm 0.82392350524551 0.86108756862632 0.39557414674739 150.360 > 1 5 Sm 0.32392350524551 0.38891243137368 0.89557414674739 150.360 > 5 6 Sm 0.82392350524551 0.38891243137368 0.89557414674739 150.360 > 5 7 Sm 0.32392350524551 0.88891243137368 0.89557414674739 150.360 > 5 8 Sm 0.82392350524551 0.88891243137368 0.89557414674739 150.360 > 5 9 Sm 0.17607649475449 0.11108756862632 0.10442585325261 150.360 > 9 10 Sm 0.67607649475449 0.11108756862632 0.10442585325261 150.360 > 9 11 Sm 0.17607649475449 0.61108756862632 0.10442585325261 150.360 > 9 12 Sm 0.67607649475449 0.61108756862632 0.10442585325261 150.360 > 9 13 Sm 0.17607649475449 0.13891243137368 0.60442585325261 150.360 > 13 14 Sm 0.67607649475449 0.13891243137368 0.60442585325261 150.360 > 13 15 Sm 0.17607649475449 0.63891243137368 0.60442585325261 150.360 > 13 16 Sm 0.67607649475449 0.63891243137368 0.60442585325261 150.360 > 13 17 Ta 0.41752026012110 0.11458213531119 0.19157551966178 180.948 > 17 18 Ta 0.91752026012110 0.11458213531119 0.19157551966178 180.948 > 17 19 Ta 0.41752026012110 0.61458213531119 0.19157551966178 180.948 > 17 20 Ta 0.91752026012110 0.61458213531119 0.19157551966178 180.948 > 17 21 Ta 0.41752026012110 0.13541786468881 0.69157551966178 180.948 > 21 22 Ta 0.91752026012110 0.13541786468881 0.69157551966178 180.948 > 21 23 Ta 0.41752026012110 0.63541786468881 0.69157551966178 180.948 > 21 24 Ta 0.91752026012110 0.63541786468881 0.69157551966178 180.948 > 21 25 Ta 0.08247973987890 0.36458213531119 0.30842448033822 180.948 > 25 26 Ta 0.58247973987890 0.36458213531119 0.30842448033822 180.948 > 25 27 Ta 0.08247973987890 0.86458213531119 0.30842448033822 180.948 > 25 28 Ta 0.58247973987890 0.86458213531119 0.30842448033822 180.948 > 25 29 Ta 0.08247973987890 0.38541786468881 0.80842448033822 180.948 > 29 30 Ta 0.58247973987890 0.38541786468881 0.80842448033822 180.948 > 29 31 Ta 0.08247973987890 0.88541786468881 0.80842448033822 180.948 > 29 32 Ta 0.58247973987890 0.88541786468881 0.80842448033822 180.948 > 29 33 O 0.46818777232041 0.45205109492429 0.30639304011616 15.999 > 33 34 O 0.96818777232041 0.45205109492429 0.30639304011616 15.999 > 33 35 O 0.46818777232041 0.95205109492429 0.30639304011616 15.999 > 33 36 O 0.96818777232041 0.95205109492429 0.30639304011616 15.999 > 33 37 O 0.46818777232041 0.29794890507571 0.80639304011616 15.999 > 37 38 O 0.96818777232041 0.29794890507571 0.80639304011616 15.999 > 37 39 O 0.46818777232041 0.79794890507571 0.80639304011616 15.999 > 37 40 O 0.96818777232041 0.79794890507571 0.80639304011616 15.999 > 37 41 O 0.41673191656208 0.18058016807251 0.44000963676065 15.999 > 41 42 O 0.91673191656208 0.18058016807251 0.44000963676065 15.999 > 41 43 O 0.41673191656208 0.68058016807251 0.44000963676065 15.999 > 41 44 O 0.91673191656208 0.68058016807251 0.44000963676065 15.999 > 41 45 O 0.41673191656208 0.06941983192749 0.94000963676065 15.999 > 45 46 O 0.91673191656208 0.06941983192749 0.94000963676065 15.999 > 45 47 O 0.41673191656208 0.56941983192749 0.94000963676065 15.999 > 45 48 O 0.91673191656208 0.56941983192749 0.94000963676065 15.999 > 45 49 O 0.33380193992914 0.24663102433559 0.12584470705052 15.999 > 49 50 O 0.83380193992914 0.24663102433559 0.12584470705052 15.999 > 49 51 O 0.33380193992914 0.74663102433559 0.12584470705052 15.999 > 49 52 O 0.83380193992914 0.74663102433559 0.12584470705052 15.999 > 49 53 O 0.30708210599194 0.00467331393535 0.16815271703435 15.999 > 53 54 O 0.80708210599194 0.00467331393535 0.16815271703435 15.999 > 53 55 O 0.30708210599194 0.50467331393535 0.16815271703435 15.999 > 53 56 O 0.80708210599194 0.50467331393535 0.16815271703435 15.999 > 53 57 O 0.33380193992914 0.00336897566441 0.62584470705052 15.999 > 57 58 O 0.83380193992914 0.00336897566441 0.62584470705052 15.999 > 57 59 O 0.33380193992914 0.50336897566441 0.62584470705052 15.999 > 57 60 O 0.83380193992914 0.50336897566441 0.62584470705052 15.999 > 57 61 O 0.30708210599194 0.24532668606465 0.66815271703435 15.999 > 61 62 O 0.80708210599194 0.24532668606465 0.66815271703435 15.999 > 61 63 O 0.30708210599194 0.74532668606465 0.66815271703435 15.999 > 61 64 O 0.80708210599194 0.74532668606465 0.66815271703435 15.999 > 61 65 O 0.19291789400806 0.25467331393535 0.33184728296564 15.999 > 65 66 O 0.69291789400806 0.25467331393535 0.33184728296564 15.999 > 65 67 O 0.19291789400806 0.75467331393535 0.33184728296564 15.999 > 65 68 O 0.69291789400806 0.75467331393535 0.33184728296564 15.999 > 65 69 O 0.16619806007086 0.49663102433559 0.37415529294948 15.999 > 69 70 O 0.66619806007086 0.49663102433559 0.37415529294948 15.999 > 69 71 O 0.16619806007086 0.99663102433559 0.37415529294948 15.999 > 69 72 O 0.66619806007086 0.99663102433559 0.37415529294948 15.999 > 69 73 O 0.19291789400806 0.49532668606465 0.83184728296565 15.999 > 73 74 O 0.69291789400806 0.49532668606465 0.83184728296565 15.999 > 73 75 O 0.19291789400806 0.99532668606465 0.83184728296565 15.999 > 73 76 O 0.69291789400806 0.99532668606465 0.83184728296565 15.999 > 73 77 O 0.16619806007086 0.25336897566441 0.87415529294948 15.999 > 77 78 O 0.66619806007086 0.25336897566441 0.87415529294948 15.999 > 77 79 O 0.16619806007086 0.75336897566441 0.87415529294948 15.999 > 77 80 O 0.66619806007086 0.75336897566441 0.87415529294948 15.999 > 77 81 O 0.08326808343792 0.43058016807251 0.05999036323935 15.999 > 81 82 O 0.58326808343792 0.43058016807251 0.05999036323935 15.999 > 81 83 O 0.08326808343792 0.93058016807251 0.05999036323935 15.999 > 81 84 O 0.58326808343792 0.93058016807251 0.05999036323935 15.999 > 81 85 O 0.08326808343792 0.31941983192749 0.55999036323935 15.999 > 85 86 O 0.58326808343792 0.31941983192749 0.55999036323935 15.999 > 85 87 O 0.08326808343792 0.81941983192749 0.55999036323935 15.999 > 85 88 O 0.58326808343792 0.81941983192749 0.55999036323935 15.999 > 85 89 O 0.03181222767959 0.20205109492429 0.19360695988384 15.999 > 89 90 O 0.53181222767959 0.20205109492429 0.19360695988384 15.999 > 89 91 O 0.03181222767959 0.70205109492429 0.19360695988384 15.999 > 89 92 O 0.53181222767959 0.70205109492429 0.19360695988384 15.999 > 89 93 O 0.03181222767959 0.04794890507571 0.69360695988384 15.999 > 93 94 O 0.53181222767959 0.04794890507571 0.69360695988384 15.999 > 93 95 O 0.03181222767959 0.54794890507571 0.69360695988384 15.999 > 93 96 O 0.53181222767959 0.54794890507571 0.69360695988384 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0270310 0.0000000 0.1084373 0.0000000 5.1734839 0.0000000 0.1084360 0.0000000 5.2194547 -------------------------- Born effective charges -------------------------- 1 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 2 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 3 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 4 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 5 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 6 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 7 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 8 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 9 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 10 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 11 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 12 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 13 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 14 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 15 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 16 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 17 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 18 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 19 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 20 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 21 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 22 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 23 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 24 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 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] [-0.0016 0.0000 0.0099] [ 0.0016 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0016 0.0000 0.0099] [ 0.0016 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zx) 0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:02:13]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.532313600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.386125559999999 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): 1 Sm 0.64784701049101 0.72217513725265 0.39557414674739 150.360 2 Sm 0.64784701049101 0.77782486274735 0.89557414674739 150.360 3 Sm 0.35215298950899 0.22217513725265 0.10442585325261 150.360 4 Sm 0.35215298950899 0.27782486274735 0.60442585325261 150.360 5 Ta 0.83504052024220 0.22916427062238 0.19157551966178 180.948 6 Ta 0.83504052024220 0.27083572937762 0.69157551966178 180.948 7 Ta 0.16495947975780 0.72916427062238 0.30842448033822 180.948 8 Ta 0.16495947975780 0.77083572937762 0.80842448033822 180.948 9 O 0.93637554464082 0.90410218984858 0.30639304011616 15.999 10 O 0.93637554464082 0.59589781015142 0.80639304011616 15.999 11 O 0.83346383312415 0.36116033614502 0.44000963676065 15.999 12 O 0.83346383312415 0.13883966385498 0.94000963676065 15.999 13 O 0.66760387985829 0.49326204867118 0.12584470705052 15.999 14 O 0.61416421198389 0.00934662787069 0.16815271703435 15.999 15 O 0.66760387985829 0.00673795132883 0.62584470705052 15.999 16 O 0.61416421198389 0.49065337212931 0.66815271703435 15.999 17 O 0.38583578801612 0.50934662787069 0.33184728296564 15.999 18 O 0.33239612014171 0.99326204867117 0.37415529294948 15.999 19 O 0.38583578801612 0.99065337212931 0.83184728296565 15.999 20 O 0.33239612014171 0.50673795132883 0.87415529294948 15.999 21 O 0.16653616687585 0.86116033614502 0.05999036323935 15.999 22 O 0.16653616687585 0.63883966385498 0.55999036323935 15.999 23 O 0.06362445535918 0.40410218984858 0.19360695988384 15.999 24 O 0.06362445535918 0.09589781015142 0.69360695988384 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.064627200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.772251119999998 0.000000000000000 c -1.187302420003873 0.000000000000000 7.533772266847441 Atomic positions (fractional): 1 Sm 0.32392350524551 0.36108756862632 0.39557414674739 150.360 > 1 2 Sm 0.82392350524551 0.36108756862632 0.39557414674739 150.360 > 1 3 Sm 0.32392350524551 0.86108756862632 0.39557414674739 150.360 > 1 4 Sm 0.82392350524551 0.86108756862632 0.39557414674739 150.360 > 1 5 Sm 0.32392350524551 0.38891243137368 0.89557414674739 150.360 > 5 6 Sm 0.82392350524551 0.38891243137368 0.89557414674739 150.360 > 5 7 Sm 0.32392350524551 0.88891243137368 0.89557414674739 150.360 > 5 8 Sm 0.82392350524551 0.88891243137368 0.89557414674739 150.360 > 5 9 Sm 0.17607649475449 0.11108756862632 0.10442585325261 150.360 > 9 10 Sm 0.67607649475449 0.11108756862632 0.10442585325261 150.360 > 9 11 Sm 0.17607649475449 0.61108756862632 0.10442585325261 150.360 > 9 12 Sm 0.67607649475449 0.61108756862632 0.10442585325261 150.360 > 9 13 Sm 0.17607649475449 0.13891243137368 0.60442585325261 150.360 > 13 14 Sm 0.67607649475449 0.13891243137368 0.60442585325261 150.360 > 13 15 Sm 0.17607649475449 0.63891243137368 0.60442585325261 150.360 > 13 16 Sm 0.67607649475449 0.63891243137368 0.60442585325261 150.360 > 13 17 Ta 0.41752026012110 0.11458213531119 0.19157551966178 180.948 > 17 18 Ta 0.91752026012110 0.11458213531119 0.19157551966178 180.948 > 17 19 Ta 0.41752026012110 0.61458213531119 0.19157551966178 180.948 > 17 20 Ta 0.91752026012110 0.61458213531119 0.19157551966178 180.948 > 17 21 Ta 0.41752026012110 0.13541786468881 0.69157551966178 180.948 > 21 22 Ta 0.91752026012110 0.13541786468881 0.69157551966178 180.948 > 21 23 Ta 0.41752026012110 0.63541786468881 0.69157551966178 180.948 > 21 24 Ta 0.91752026012110 0.63541786468881 0.69157551966178 180.948 > 21 25 Ta 0.08247973987890 0.36458213531119 0.30842448033822 180.948 > 25 26 Ta 0.58247973987890 0.36458213531119 0.30842448033822 180.948 > 25 27 Ta 0.08247973987890 0.86458213531119 0.30842448033822 180.948 > 25 28 Ta 0.58247973987890 0.86458213531119 0.30842448033822 180.948 > 25 29 Ta 0.08247973987890 0.38541786468881 0.80842448033822 180.948 > 29 30 Ta 0.58247973987890 0.38541786468881 0.80842448033822 180.948 > 29 31 Ta 0.08247973987890 0.88541786468881 0.80842448033822 180.948 > 29 32 Ta 0.58247973987890 0.88541786468881 0.80842448033822 180.948 > 29 33 O 0.46818777232041 0.45205109492429 0.30639304011616 15.999 > 33 34 O 0.96818777232041 0.45205109492429 0.30639304011616 15.999 > 33 35 O 0.46818777232041 0.95205109492429 0.30639304011616 15.999 > 33 36 O 0.96818777232041 0.95205109492429 0.30639304011616 15.999 > 33 37 O 0.46818777232041 0.29794890507571 0.80639304011616 15.999 > 37 38 O 0.96818777232041 0.29794890507571 0.80639304011616 15.999 > 37 39 O 0.46818777232041 0.79794890507571 0.80639304011616 15.999 > 37 40 O 0.96818777232041 0.79794890507571 0.80639304011616 15.999 > 37 41 O 0.41673191656208 0.18058016807251 0.44000963676065 15.999 > 41 42 O 0.91673191656208 0.18058016807251 0.44000963676065 15.999 > 41 43 O 0.41673191656208 0.68058016807251 0.44000963676065 15.999 > 41 44 O 0.91673191656208 0.68058016807251 0.44000963676065 15.999 > 41 45 O 0.41673191656208 0.06941983192749 0.94000963676065 15.999 > 45 46 O 0.91673191656208 0.06941983192749 0.94000963676065 15.999 > 45 47 O 0.41673191656208 0.56941983192749 0.94000963676065 15.999 > 45 48 O 0.91673191656208 0.56941983192749 0.94000963676065 15.999 > 45 49 O 0.33380193992914 0.24663102433559 0.12584470705052 15.999 > 49 50 O 0.83380193992914 0.24663102433559 0.12584470705052 15.999 > 49 51 O 0.33380193992914 0.74663102433559 0.12584470705052 15.999 > 49 52 O 0.83380193992914 0.74663102433559 0.12584470705052 15.999 > 49 53 O 0.30708210599194 0.00467331393535 0.16815271703435 15.999 > 53 54 O 0.80708210599194 0.00467331393535 0.16815271703435 15.999 > 53 55 O 0.30708210599194 0.50467331393535 0.16815271703435 15.999 > 53 56 O 0.80708210599194 0.50467331393535 0.16815271703435 15.999 > 53 57 O 0.33380193992914 0.00336897566441 0.62584470705052 15.999 > 57 58 O 0.83380193992914 0.00336897566441 0.62584470705052 15.999 > 57 59 O 0.33380193992914 0.50336897566441 0.62584470705052 15.999 > 57 60 O 0.83380193992914 0.50336897566441 0.62584470705052 15.999 > 57 61 O 0.30708210599194 0.24532668606465 0.66815271703435 15.999 > 61 62 O 0.80708210599194 0.24532668606465 0.66815271703435 15.999 > 61 63 O 0.30708210599194 0.74532668606465 0.66815271703435 15.999 > 61 64 O 0.80708210599194 0.74532668606465 0.66815271703435 15.999 > 61 65 O 0.19291789400806 0.25467331393535 0.33184728296564 15.999 > 65 66 O 0.69291789400806 0.25467331393535 0.33184728296564 15.999 > 65 67 O 0.19291789400806 0.75467331393535 0.33184728296564 15.999 > 65 68 O 0.69291789400806 0.75467331393535 0.33184728296564 15.999 > 65 69 O 0.16619806007086 0.49663102433559 0.37415529294948 15.999 > 69 70 O 0.66619806007086 0.49663102433559 0.37415529294948 15.999 > 69 71 O 0.16619806007086 0.99663102433559 0.37415529294948 15.999 > 69 72 O 0.66619806007086 0.99663102433559 0.37415529294948 15.999 > 69 73 O 0.19291789400806 0.49532668606465 0.83184728296565 15.999 > 73 74 O 0.69291789400806 0.49532668606465 0.83184728296565 15.999 > 73 75 O 0.19291789400806 0.99532668606465 0.83184728296565 15.999 > 73 76 O 0.69291789400806 0.99532668606465 0.83184728296565 15.999 > 73 77 O 0.16619806007086 0.25336897566441 0.87415529294948 15.999 > 77 78 O 0.66619806007086 0.25336897566441 0.87415529294948 15.999 > 77 79 O 0.16619806007086 0.75336897566441 0.87415529294948 15.999 > 77 80 O 0.66619806007086 0.75336897566441 0.87415529294948 15.999 > 77 81 O 0.08326808343792 0.43058016807251 0.05999036323935 15.999 > 81 82 O 0.58326808343792 0.43058016807251 0.05999036323935 15.999 > 81 83 O 0.08326808343792 0.93058016807251 0.05999036323935 15.999 > 81 84 O 0.58326808343792 0.93058016807251 0.05999036323935 15.999 > 81 85 O 0.08326808343792 0.31941983192749 0.55999036323935 15.999 > 85 86 O 0.58326808343792 0.31941983192749 0.55999036323935 15.999 > 85 87 O 0.08326808343792 0.81941983192749 0.55999036323935 15.999 > 85 88 O 0.58326808343792 0.81941983192749 0.55999036323935 15.999 > 85 89 O 0.03181222767959 0.20205109492429 0.19360695988384 15.999 > 89 90 O 0.53181222767959 0.20205109492429 0.19360695988384 15.999 > 89 91 O 0.03181222767959 0.70205109492429 0.19360695988384 15.999 > 89 92 O 0.53181222767959 0.70205109492429 0.19360695988384 15.999 > 89 93 O 0.03181222767959 0.04794890507571 0.69360695988384 15.999 > 93 94 O 0.53181222767959 0.04794890507571 0.69360695988384 15.999 > 93 95 O 0.03181222767959 0.54794890507571 0.69360695988384 15.999 > 93 96 O 0.53181222767959 0.54794890507571 0.69360695988384 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0270310 0.0000000 0.1084373 0.0000000 5.1734839 0.0000000 0.1084360 0.0000000 5.2194547 -------------------------- Born effective charges -------------------------- 1 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 2 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 3 Sm 4.1102026 -0.3769351 -0.0214819 -0.0138406 4.4272919 -0.0400897 0.0000129 0.1244200 4.0151189 4 Sm 4.1102026 0.3769351 -0.0214819 0.0138406 4.4272919 0.0400897 0.0000129 -0.1244200 4.0151189 5 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 6 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 7 Ta 6.7043720 0.3504302 0.2652854 -0.4712425 6.7955600 0.1557613 0.2399573 -1.0661747 7.5672003 8 Ta 6.7043720 -0.3504302 0.2652854 0.4712425 6.7955600 -0.1557613 0.2399573 1.0661747 7.5672003 9 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 10 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 11 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 12 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 13 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 14 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 15 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 16 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 17 O -3.4524165 0.3456274 -0.3153804 0.4778028 -2.7754917 -0.1786427 -0.1791307 -0.1943097 -2.1921072 18 O -2.3274266 -0.8740963 -0.2420201 -1.0363445 -3.1717197 -0.5817189 -0.2827155 -0.5451310 -2.4158606 19 O -3.4524165 -0.3456274 -0.3153804 -0.4778028 -2.7754917 0.1786427 -0.1791307 0.1943097 -2.1921072 20 O -2.3274266 0.8740963 -0.2420201 1.0363445 -3.1717197 0.5817189 -0.2827155 0.5451310 -2.4158606 21 O -1.4692418 -0.4535103 0.6014128 -0.3557649 -1.9930257 -0.2419698 0.4826706 0.0896352 -5.3275070 22 O -1.4692418 0.4535103 0.6014128 0.3557649 -1.9930257 0.2419698 0.4826706 -0.0896352 -5.3275070 23 O -3.5654899 -1.4972777 -0.2878157 -1.4576053 -3.2826148 -0.8074666 -0.2607947 -0.7412023 -1.6468443 24 O -3.5654899 1.4972777 -0.2878157 1.4576053 -3.2826148 0.8074666 -0.2607947 0.7412023 -1.6468443 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) 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 ... [ 7 9 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: 0.62, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 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 1.670 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.750 ( 0.000 0.000 0.000) 0.000 10.939 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.180 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 0.000) 0.000 14.206 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 14.923 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.926 ( 0.000 0.000 0.000) 0.000 16.682 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.354 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.985 ( 0.000 0.000 0.000) 0.000 18.309 ( 0.000 0.000 0.000) 0.000 18.741 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 19.255 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 0.000 0.000) 0.000 22.238 ( 0.000 0.000 0.000) 0.000 23.828 ( 0.000 0.000 0.000) 0.000 25.091 ( 0.000 0.000 0.000) 0.000 25.544 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 8.809 0.000 9.545) 12.989 0.487 ( 23.529 0.000 6.990) 24.546 0.981 ( 47.152 0.000 17.280) 50.218 1.722 ( 5.092 0.000 -4.687) 6.921 1.744 ( 0.233 0.000 -3.888) 3.895 2.203 ( 3.381 0.000 3.285) 4.714 2.840 ( 0.681 0.000 1.156) 1.342 2.851 ( -1.433 0.000 4.739) 4.951 2.951 ( 4.731 0.000 -9.256) 10.395 3.424 ( -4.866 0.000 0.096) 4.867 3.489 ( -1.489 0.000 7.927) 8.065 3.780 ( -3.650 0.000 1.622) 3.994 3.872 ( -1.293 0.000 0.997) 1.633 4.039 ( 4.628 0.000 -3.125) 5.584 4.402 ( -6.961 0.000 -3.971) 8.015 4.487 ( -13.224 0.000 9.446) 16.251 4.494 ( -2.918 0.000 -4.452) 5.323 4.722 ( -3.073 0.000 17.560) 17.827 4.926 ( 7.890 0.000 -0.591) 7.912 5.088 ( 3.914 0.000 -39.399) 39.593 5.181 ( 0.932 0.000 0.679) 1.153 5.342 ( -0.589 0.000 2.328) 2.401 5.605 ( 8.394 0.000 2.048) 8.640 5.923 ( 1.254 0.000 1.829) 2.218 6.440 ( -8.890 0.000 44.778) 45.652 6.691 ( -0.513 0.000 20.150) 20.156 6.729 ( 7.611 0.000 0.309) 7.617 7.443 ( 2.434 0.000 0.897) 2.594 7.816 ( -6.846 0.000 8.311) 10.768 7.953 ( 3.841 0.000 2.788) 4.747 7.964 ( -6.276 0.000 2.413) 6.724 8.162 ( -0.232 0.000 -1.518) 1.535 8.613 ( -1.605 0.000 0.522) 1.688 8.721 ( -2.989 0.000 9.087) 9.566 8.909 ( -3.073 0.000 -4.286) 5.274 9.254 ( 4.900 0.000 7.711) 9.136 9.457 ( 3.509 0.000 -31.053) 31.251 9.630 ( -4.910 0.000 -1.318) 5.084 9.802 ( 2.556 0.000 3.150) 4.057 9.907 ( 12.959 0.000 -9.688) 16.180 9.976 ( 2.378 0.000 -2.951) 3.789 10.682 ( -6.517 0.000 1.492) 6.686 11.178 ( -16.114 0.000 6.239) 17.280 11.304 ( -6.498 0.000 2.306) 6.895 11.615 ( 6.237 0.000 -8.034) 10.171 11.650 ( 5.432 0.000 -12.120) 13.281 11.899 ( -1.989 0.000 1.391) 2.427 12.326 ( 12.346 0.000 1.904) 12.491 12.926 ( -4.443 0.000 6.758) 8.088 13.257 ( -3.034 0.000 -9.267) 9.751 13.262 ( 5.803 0.000 -2.448) 6.298 13.605 ( 11.692 0.000 -47.407) 48.827 14.029 ( -10.432 0.000 -8.976) 13.762 14.034 ( 7.492 0.000 -0.649) 7.520 15.158 ( 17.927 0.000 9.063) 20.087 15.286 ( -9.556 0.000 9.342) 13.364 15.936 ( 0.096 0.000 4.413) 4.414 16.536 ( -11.712 0.000 -5.808) 13.072 17.064 ( -0.774 0.000 3.905) 3.981 17.219 ( -2.579 0.000 -45.235) 45.309 17.503 ( 2.430 0.000 -0.119) 2.433 17.971 ( -17.487 0.000 37.254) 41.154 18.006 ( 2.454 0.000 -0.341) 2.477 18.588 ( 12.827 0.000 18.839) 22.791 18.700 ( -3.783 0.000 -0.377) 3.802 18.824 ( -2.693 0.000 -3.355) 4.302 19.333 ( 6.513 0.000 3.565) 7.425 22.110 ( -5.655 0.000 39.833) 40.233 22.232 ( -0.199 0.000 -2.420) 2.428 24.111 ( 0.535 0.000 -1.306) 1.412 25.084 ( -0.908 0.000 1.242) 1.538 25.549 ( 0.559 0.000 -0.572) 0.800 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 7.785 0.000 3.847) 8.684 0.910 ( 18.057 0.000 6.970) 19.356 1.705 ( 3.134 0.000 -7.764) 8.373 1.787 ( 2.543 0.000 -4.448) 5.124 1.881 ( 35.844 0.000 15.742) 39.149 2.341 ( 10.081 0.000 2.758) 10.452 2.838 ( -1.494 0.000 5.603) 5.798 2.857 ( 0.366 0.000 2.289) 2.318 3.026 ( 5.917 0.000 -8.986) 10.759 3.284 ( -9.858 0.000 0.491) 9.870 3.492 ( -1.101 0.000 11.949) 12.000 3.685 ( -6.487 0.000 -2.729) 7.038 3.823 ( -5.674 0.000 -0.182) 5.677 4.109 ( 3.709 0.000 -5.927) 6.992 4.251 ( -10.728 0.000 1.026) 10.777 4.292 ( -2.419 0.000 -5.337) 5.860 4.427 ( -2.236 0.000 -5.268) 5.723 4.700 ( -2.581 0.000 7.285) 7.729 5.028 ( -0.937 0.000 -16.700) 16.726 5.050 ( 5.172 0.000 -0.422) 5.189 5.213 ( 1.663 0.000 1.179) 2.038 5.379 ( 2.533 0.000 2.298) 3.420 5.726 ( 3.602 0.000 0.980) 3.733 5.973 ( 3.161 0.000 3.594) 4.786 6.438 ( -0.113 0.000 11.426) 11.426 6.715 ( -2.782 0.000 15.687) 15.932 6.918 ( 11.193 0.000 0.033) 11.193 7.468 ( -1.644 0.000 1.080) 1.967 7.692 ( -7.064 0.000 1.785) 7.287 7.862 ( -3.499 0.000 1.492) 3.804 8.046 ( 4.764 0.000 -0.372) 4.779 8.132 ( -2.525 0.000 -0.682) 2.615 8.578 ( -1.800 0.000 0.626) 1.906 8.675 ( -3.413 0.000 4.333) 5.516 8.853 ( -1.230 0.000 -4.303) 4.476 9.381 ( 5.960 0.000 9.935) 11.586 9.493 ( 5.818 0.000 -12.561) 13.843 9.526 ( -4.803 0.000 -2.274) 5.314 9.882 ( 4.504 0.000 5.232) 6.904 10.033 ( 3.890 0.000 -2.885) 4.843 10.076 ( 4.372 0.000 0.254) 4.379 10.573 ( -2.981 0.000 -2.055) 3.621 10.866 ( -16.868 0.000 2.573) 17.063 11.187 ( -5.965 0.000 0.229) 5.970 11.689 ( 3.698 0.000 -6.882) 7.813 11.691 ( 3.051 0.000 -12.554) 12.919 11.848 ( -3.829 0.000 3.957) 5.507 12.538 ( 6.884 0.000 2.333) 7.269 12.908 ( 1.265 0.000 2.587) 2.880 13.170 ( -3.188 0.000 -6.018) 6.810 13.287 ( -3.531 0.000 1.360) 3.783 13.683 ( 6.127 0.000 -15.787) 16.935 13.949 ( 5.565 0.000 -6.926) 8.885 14.233 ( 13.463 0.000 -2.186) 13.640 15.084 ( -13.993 0.000 8.052) 16.145 15.533 ( 16.517 0.000 9.228) 18.920 15.945 ( -0.865 0.000 5.560) 5.627 16.305 ( -7.764 0.000 -6.084) 9.864 16.976 ( -10.005 0.000 2.114) 10.226 16.998 ( -7.861 0.000 -26.265) 27.416 17.543 ( 1.565 0.000 0.904) 1.807 17.823 ( -6.824 0.000 15.182) 16.645 18.085 ( 6.132 0.000 -0.867) 6.193 18.597 ( -7.491 0.000 1.250) 7.595 18.765 ( -1.631 0.000 -4.254) 4.556 18.843 ( 9.398 0.000 7.893) 12.273 19.474 ( 6.353 0.000 3.365) 7.189 22.126 ( -1.950 0.000 19.185) 19.284 22.216 ( -0.304 0.000 -4.733) 4.743 24.118 ( 0.534 0.000 -0.689) 0.871 25.068 ( -1.051 0.000 1.499) 1.831 25.559 ( 0.626 0.000 -0.674) 0.920 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 3.186 0.000 0.716) 3.265 1.179 ( 7.433 0.000 4.221) 8.548 1.679 ( -0.787 0.000 -5.175) 5.235 1.800 ( 0.294 0.000 -1.463) 1.493 2.508 ( 20.254 0.000 7.714) 21.674 2.555 ( 9.319 0.000 0.764) 9.350 2.828 ( -1.054 0.000 3.978) 4.115 2.864 ( -0.068 0.000 1.319) 1.320 3.087 ( -8.755 0.000 0.211) 8.757 3.141 ( 10.095 0.000 -4.078) 10.888 3.439 ( -15.420 0.000 0.089) 15.420 3.551 ( 0.576 0.000 3.960) 4.001 3.675 ( -6.029 0.000 -3.912) 7.187 4.129 ( 0.900 0.000 -8.555) 8.602 4.158 ( -1.585 0.000 7.373) 7.541 4.271 ( 0.646 0.000 -2.711) 2.787 4.383 ( -1.176 0.000 -1.976) 2.300 4.681 ( -0.639 0.000 1.021) 1.204 4.973 ( -1.030 0.000 -4.823) 4.931 5.132 ( 3.587 0.000 -1.007) 3.726 5.222 ( -1.242 0.000 1.445) 1.905 5.423 ( 1.173 0.000 0.925) 1.494 5.762 ( 0.599 0.000 0.065) 0.603 6.042 ( 2.283 0.000 1.892) 2.965 6.486 ( 2.160 0.000 1.565) 2.667 6.691 ( -2.638 0.000 6.926) 7.411 7.108 ( 7.466 0.000 -0.277) 7.471 7.383 ( -5.519 0.000 0.828) 5.580 7.590 ( -3.144 0.000 -0.144) 3.147 7.857 ( 1.394 0.000 -0.038) 1.395 8.076 ( -2.476 0.000 0.065) 2.477 8.108 ( 1.800 0.000 -0.751) 1.950 8.559 ( -0.400 0.000 0.375) 0.548 8.636 ( -1.504 0.000 2.238) 2.697 8.835 ( 0.006 0.000 -1.687) 1.687 9.456 ( -1.737 0.000 -1.116) 2.064 9.520 ( 4.524 0.000 6.788) 8.158 9.552 ( 2.638 0.000 -6.721) 7.220 9.969 ( 2.295 0.000 2.769) 3.597 10.068 ( -3.035 0.000 2.249) 3.778 10.094 ( 2.708 0.000 -0.851) 2.838 10.573 ( 1.958 0.000 -2.619) 3.270 10.611 ( -8.426 0.000 -0.073) 8.426 11.097 ( -2.907 0.000 0.070) 2.907 11.708 ( 2.148 0.000 -7.498) 7.800 11.717 ( 1.018 0.000 -2.711) 2.896 11.789 ( -3.168 0.000 4.283) 5.327 12.602 ( 0.588 0.000 1.679) 1.779 12.952 ( 1.822 0.000 -1.014) 2.085 13.114 ( -1.322 0.000 -1.911) 2.324 13.214 ( -2.724 0.000 1.139) 2.953 13.733 ( 2.099 0.000 -4.323) 4.806 14.082 ( 5.940 0.000 -1.658) 6.167 14.511 ( 16.206 0.000 -4.659) 16.863 14.817 ( -16.151 0.000 7.071) 17.631 15.729 ( 1.766 0.000 3.024) 3.502 15.941 ( -0.629 0.000 2.591) 2.666 16.345 ( 13.503 0.000 -0.853) 13.530 16.707 ( -17.276 0.000 -0.433) 17.281 16.824 ( -3.747 0.000 -9.359) 10.081 17.565 ( 0.509 0.000 0.634) 0.813 17.777 ( -1.593 0.000 3.988) 4.295 18.225 ( 8.110 0.000 -1.016) 8.174 18.436 ( -8.805 0.000 1.060) 8.869 18.741 ( -0.209 0.000 -1.506) 1.521 18.981 ( 3.332 0.000 2.336) 4.069 19.569 ( 2.456 0.000 1.292) 2.775 22.147 ( -0.493 0.000 8.809) 8.823 22.196 ( -0.161 0.000 -4.657) 4.660 24.125 ( 0.231 0.000 -0.238) 0.332 25.057 ( -0.441 0.000 0.653) 0.788 25.567 ( 0.255 0.000 -0.289) 0.385 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 21.579 0.000) 21.579 0.714 ( 0.000 33.082 0.000) 33.082 1.161 ( 0.000 52.411 0.000) 52.411 1.772 ( 0.000 2.303 0.000) 2.303 1.824 ( 0.000 12.343 0.000) 12.343 2.199 ( 0.000 2.228 0.000) 2.228 2.784 ( 0.000 -1.777 0.000) 1.777 2.929 ( 0.000 2.988 0.000) 2.988 2.947 ( 0.000 2.757 0.000) 2.757 3.464 ( 0.000 -3.260 0.000) 3.260 3.529 ( 0.000 5.703 0.000) 5.703 3.680 ( 0.000 -11.273 0.000) 11.273 3.712 ( 0.000 -0.299 0.000) 0.299 3.813 ( 0.000 -6.718 0.000) 6.718 4.082 ( 0.000 -2.837 0.000) 2.837 4.376 ( 0.000 -21.100 0.000) 21.100 4.569 ( 0.000 3.854 0.000) 3.854 4.651 ( 0.000 -11.725 0.000) 11.725 4.972 ( 0.000 5.501 0.000) 5.501 5.043 ( 0.000 7.258 0.000) 7.258 5.265 ( 0.000 7.659 0.000) 7.659 5.383 ( 0.000 -0.821 0.000) 0.821 5.691 ( 0.000 4.281 0.000) 4.281 5.920 ( 0.000 2.300 0.000) 2.300 6.211 ( 0.000 11.020 0.000) 11.020 6.646 ( 0.000 0.009 0.000) 0.009 6.685 ( 0.000 0.194 0.000) 0.194 7.307 ( 0.000 -8.040 0.000) 8.040 7.844 ( 0.000 0.989 0.000) 0.989 8.015 ( 0.000 7.531 0.000) 7.531 8.312 ( 0.000 10.536 0.000) 10.536 8.328 ( 0.000 7.154 0.000) 7.154 8.448 ( 0.000 3.222 0.000) 3.222 8.682 ( 0.000 -7.281 0.000) 7.281 8.816 ( 0.000 0.876 0.000) 0.876 9.266 ( 0.000 7.906 0.000) 7.906 9.308 ( 0.000 -0.851 0.000) 0.851 9.734 ( 0.000 3.276 0.000) 3.276 9.817 ( 0.000 4.397 0.000) 4.397 9.890 ( 0.000 -7.176 0.000) 7.176 10.663 ( 0.000 -6.856 0.000) 6.856 10.817 ( 0.000 -9.749 0.000) 9.749 11.350 ( 0.000 -2.975 0.000) 2.975 11.400 ( 0.000 2.347 0.000) 2.347 11.582 ( 0.000 6.211 0.000) 6.211 11.680 ( 0.000 8.394 0.000) 8.394 11.936 ( 0.000 2.134 0.000) 2.134 12.180 ( 0.000 0.121 0.000) 0.121 12.288 ( 0.000 7.986 0.000) 7.986 13.171 ( 0.000 -0.589 0.000) 0.589 13.292 ( 0.000 -2.048 0.000) 2.048 13.558 ( 0.000 -13.181 0.000) 13.181 14.178 ( 0.000 13.566 0.000) 13.566 14.715 ( 0.000 0.053 0.000) 0.053 14.897 ( 0.000 -1.842 0.000) 1.842 15.434 ( 0.000 4.409 0.000) 4.409 15.856 ( 0.000 -6.644 0.000) 6.644 16.230 ( 0.000 -3.266 0.000) 3.266 16.616 ( 0.000 -5.966 0.000) 5.966 17.093 ( 0.000 -9.945 0.000) 9.945 17.365 ( 0.000 0.745 0.000) 0.745 17.454 ( 0.000 -3.312 0.000) 3.312 18.317 ( 0.000 1.097 0.000) 1.097 18.737 ( 0.000 0.525 0.000) 0.525 18.862 ( 0.000 0.395 0.000) 0.395 19.207 ( 0.000 -4.464 0.000) 4.464 20.007 ( 0.000 2.125 0.000) 2.125 21.372 ( 0.000 -11.916 0.000) 11.916 22.409 ( 0.000 13.338 0.000) 13.338 23.797 ( 0.000 -2.960 0.000) 2.960 25.287 ( 0.000 -0.239 0.000) 0.239 25.530 ( 0.000 -1.396 0.000) 1.396 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 17.547 20.623 4.441) 27.440 0.878 ( 17.549 20.290 3.088) 27.003 1.222 ( 11.938 35.514 6.929) 38.102 1.763 ( 0.075 2.185 -3.875) 4.450 1.936 ( 10.076 17.594 -1.130) 20.307 2.220 ( 2.373 1.456 2.393) 3.671 2.790 ( 0.123 -1.190 4.513) 4.669 2.917 ( -0.367 1.626 -4.743) 5.028 2.981 ( 3.486 3.154 -1.545) 4.948 3.430 ( -4.898 -0.112 1.438) 5.106 3.496 ( -3.901 0.101 6.540) 7.616 3.661 ( -1.421 -9.134 -2.417) 9.554 3.794 ( -1.260 -7.131 -0.694) 7.275 3.897 ( 7.585 -9.020 2.001) 11.954 4.222 ( 6.488 -8.802 7.790) 13.426 4.292 ( -5.502 -13.865 -3.861) 15.408 4.522 ( -3.069 2.950 -5.428) 6.899 4.674 ( 3.702 -10.926 -9.376) 14.865 4.900 ( -5.831 8.769 14.615) 18.013 5.125 ( 5.715 2.650 -6.492) 9.046 5.254 ( 0.517 5.562 -2.283) 6.034 5.526 ( 7.900 2.090 2.653) 8.591 5.653 ( 0.475 7.905 -6.173) 10.041 5.946 ( 1.164 1.621 2.423) 3.139 6.312 ( 3.890 0.985 18.684) 19.110 6.678 ( 0.888 -0.576 8.809) 8.872 6.740 ( 6.753 0.123 -0.038) 6.754 7.378 ( 5.925 -6.315 1.990) 8.885 7.806 ( -4.423 -0.156 2.828) 5.252 7.939 ( -7.630 5.558 0.347) 9.446 8.215 ( -4.005 10.015 4.332) 11.624 8.341 ( -0.275 13.389 -1.763) 13.507 8.476 ( -0.284 -1.955 -3.068) 3.649 8.679 ( -0.132 -5.409 3.480) 6.433 8.875 ( 4.983 -0.581 -6.101) 7.899 9.316 ( 4.020 4.434 -0.408) 5.999 9.377 ( 5.945 0.040 -0.176) 5.948 9.647 ( -6.959 0.240 -1.033) 7.039 9.732 ( -5.811 2.732 2.001) 6.726 9.936 ( 4.324 -2.788 -1.983) 5.514 10.574 ( -4.959 12.934 -9.643) 16.878 10.666 ( -7.689 4.558 7.169) 11.458 11.143 ( -16.002 0.795 2.986) 16.298 11.295 ( -5.642 -1.083 -0.310) 5.754 11.635 ( 4.174 0.579 -9.684) 10.561 11.700 ( 2.483 5.457 -6.045) 8.514 11.893 ( -3.386 -0.451 1.524) 3.740 12.267 ( 9.987 -1.608 0.263) 10.119 12.599 ( 14.908 -8.825 2.733) 17.539 13.188 ( 0.354 -5.765 -6.390) 8.614 13.255 ( -2.633 -1.993 -1.879) 3.800 13.544 ( 3.269 -5.164 -13.150) 14.501 14.111 ( -0.943 5.454 -0.855) 5.600 14.424 ( -16.672 18.080 -13.953) 28.275 15.128 ( 21.372 -0.944 8.950) 23.190 15.322 ( -11.004 2.751 7.410) 13.548 15.880 ( -0.104 -6.941 4.135) 8.080 16.319 ( -5.298 -15.524 -12.230) 20.460 16.738 ( 10.201 -14.034 1.878) 17.451 17.186 ( 4.875 -8.851 -11.914) 15.622 17.333 ( -1.665 -4.101 21.715) 22.162 17.505 ( 3.756 -1.274 -2.556) 4.718 18.369 ( 3.438 0.127 2.030) 3.995 18.697 ( -3.137 0.346 -2.055) 3.766 18.810 ( -5.252 0.270 -1.976) 5.618 19.215 ( -9.167 5.559 1.229) 10.791 19.423 ( -15.499 21.660 -1.085) 26.657 21.794 ( 15.718 -21.662 18.893) 32.760 22.373 ( -3.587 12.517 4.056) 13.638 23.914 ( 7.603 -9.375 -1.188) 12.129 25.187 ( -6.520 3.745 1.768) 7.724 25.549 ( 1.325 -0.708 -1.129) 1.879 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.776 35.751 -2.787) 35.903 1.094 ( 12.213 16.508 7.648) 21.913 1.686 ( 20.403 0.402 2.050) 20.509 1.757 ( 2.795 0.695 -1.491) 3.243 2.143 ( 11.600 19.619 0.424) 22.796 2.345 ( 10.581 0.147 4.133) 11.360 2.817 ( 0.661 0.369 5.788) 5.837 2.887 ( -1.401 -1.318 -2.875) 3.459 3.055 ( 5.064 1.936 -5.406) 7.656 3.279 ( -10.059 2.313 1.190) 10.390 3.472 ( -1.967 -2.496 11.762) 12.183 3.584 ( -5.050 -8.508 -4.095) 10.708 3.753 ( -3.289 -6.356 -1.499) 7.312 3.996 ( 3.814 -9.068 -1.911) 10.021 4.148 ( -8.201 -4.242 -2.639) 9.603 4.263 ( -2.187 -6.960 -1.065) 7.373 4.477 ( 1.043 6.017 -3.874) 7.232 4.738 ( 5.305 -11.100 -9.658) 15.640 4.860 ( -2.234 9.126 8.400) 12.603 5.187 ( 1.286 4.758 -0.616) 4.967 5.277 ( 2.434 3.392 -1.632) 4.482 5.558 ( -0.919 12.923 -2.768) 13.248 5.748 ( 6.060 0.949 1.116) 6.234 5.975 ( 1.290 0.232 3.070) 3.338 6.421 ( 3.916 0.975 8.134) 9.080 6.714 ( -1.030 -0.263 13.012) 13.055 6.912 ( 10.228 -0.531 -0.029) 10.242 7.475 ( 1.021 -0.673 0.351) 1.272 7.717 ( -3.618 -5.982 1.709) 7.197 7.782 ( -7.520 6.399 1.574) 9.998 8.196 ( 0.236 4.986 0.254) 4.998 8.312 ( -2.200 15.159 -0.527) 15.327 8.428 ( -2.846 -3.917 -3.306) 5.863 8.683 ( -0.666 -0.358 4.249) 4.316 8.945 ( 3.586 2.458 -2.818) 5.181 9.393 ( 4.079 2.446 1.012) 4.862 9.464 ( 2.628 -0.221 -3.356) 4.268 9.526 ( -2.553 0.241 -3.708) 4.508 9.714 ( 0.562 -4.736 9.407) 10.547 10.028 ( 5.053 1.077 0.151) 5.168 10.533 ( 2.065 7.104 -13.369) 15.280 10.570 ( -4.104 16.985 7.090) 18.858 10.857 ( -14.318 -0.106 2.879) 14.605 11.181 ( -5.583 -1.090 -0.868) 5.754 11.668 ( 2.776 -0.841 -11.266) 11.634 11.715 ( 0.751 0.698 -5.996) 6.083 11.825 ( -4.647 -2.208 5.443) 7.490 12.430 ( 5.218 -5.566 0.547) 7.650 12.797 ( 5.359 -7.621 3.254) 9.868 13.100 ( -2.991 -6.539 -8.841) 11.397 13.234 ( -2.073 -2.983 4.514) 5.794 13.664 ( 11.637 -2.382 -7.663) 14.136 14.032 ( -4.230 5.236 -12.426) 14.132 14.355 ( 8.350 8.802 1.701) 12.251 15.093 ( -14.897 0.153 7.695) 16.768 15.525 ( 13.482 0.302 7.991) 15.675 15.912 ( 4.400 -5.974 7.161) 10.312 16.110 ( -8.798 -13.003 -11.583) 19.510 16.820 ( 0.268 -8.449 -4.842) 9.742 17.076 ( -9.171 1.425 -12.944) 15.928 17.457 ( 3.249 -13.053 24.829) 28.239 17.557 ( 3.930 -0.473 -11.510) 12.172 18.371 ( -4.399 5.737 3.052) 7.847 18.620 ( -4.528 2.005 -0.562) 4.984 18.703 ( -2.672 -3.107 -4.207) 5.873 19.036 ( -2.274 13.397 2.620) 13.839 19.470 ( 5.751 0.998 3.516) 6.814 21.999 ( 4.052 -12.412 9.801) 16.326 22.320 ( -2.696 10.063 2.208) 10.649 24.010 ( 3.181 -8.401 -0.803) 9.019 25.103 ( -3.087 2.470 1.841) 4.361 25.567 ( 0.953 0.211 -0.899) 1.327 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.394 33.816 -1.139) 33.837 1.289 ( 5.316 10.651 4.381) 12.685 1.718 ( -0.292 3.730 -4.917) 6.178 1.950 ( 3.966 9.624 1.249) 10.484 2.400 ( 11.795 -6.109 1.751) 13.398 2.576 ( 8.614 2.962 3.232) 9.665 2.785 ( -4.831 -5.063 2.329) 7.376 2.911 ( 4.793 1.185 0.130) 4.940 3.045 ( -7.214 1.902 -5.008) 8.985 3.212 ( 7.040 3.805 3.447) 8.713 3.409 ( -9.135 -5.436 -1.640) 10.756 3.534 ( 1.813 -0.654 7.276) 7.527 3.645 ( -6.364 -1.580 -5.146) 8.335 4.012 ( -3.080 -1.654 -3.807) 5.169 4.041 ( 0.782 -10.362 1.219) 10.463 4.211 ( -1.637 -9.075 -1.391) 9.325 4.510 ( 1.700 8.461 -1.155) 8.707 4.806 ( 4.230 -4.330 -5.938) 8.479 4.849 ( -1.625 7.180 4.416) 8.584 5.182 ( -0.852 3.533 0.240) 3.643 5.313 ( 1.129 5.330 -0.312) 5.457 5.536 ( -0.585 10.009 -0.502) 10.039 5.822 ( 1.687 5.211 -0.325) 5.487 6.014 ( 1.417 -3.445 2.077) 4.265 6.509 ( 3.145 2.951 0.794) 4.385 6.716 ( -1.526 2.021 6.925) 7.374 7.087 ( 7.088 -1.547 -0.344) 7.263 7.381 ( -6.980 -0.276 0.142) 6.986 7.678 ( -2.331 5.723 -0.759) 6.226 7.739 ( 1.585 -5.625 1.425) 6.015 8.213 ( 1.545 3.788 0.318) 4.103 8.264 ( -2.341 13.647 -0.780) 13.868 8.370 ( -1.888 -6.366 -1.302) 6.767 8.686 ( -0.089 4.276 2.267) 4.840 8.986 ( 1.295 6.134 -1.240) 6.391 9.421 ( -1.549 -2.773 -1.358) 3.454 9.488 ( 3.963 -1.219 0.495) 4.175 9.577 ( 3.866 3.428 -2.582) 5.776 9.720 ( -2.574 -7.834 6.193) 10.313 10.089 ( 0.720 -0.006 1.062) 1.283 10.543 ( 3.393 -0.477 -2.055) 3.995 10.555 ( 0.056 25.918 -4.243) 26.263 10.655 ( -7.683 3.825 3.258) 9.180 11.099 ( -2.260 -0.547 -0.742) 2.440 11.684 ( 1.666 -0.927 -5.639) 5.953 11.704 ( 0.373 -2.397 -4.929) 5.494 11.759 ( -3.704 -3.567 6.366) 8.184 12.474 ( 0.266 -8.538 0.805) 8.580 12.834 ( -0.194 -8.957 0.057) 8.959 13.069 ( 0.559 -8.830 -5.404) 10.367 13.210 ( -1.248 5.004 4.696) 6.975 13.825 ( 3.925 4.362 -2.542) 6.395 14.005 ( 3.616 -5.022 -4.392) 7.589 14.565 ( 12.376 3.539 -1.551) 12.965 14.823 ( -15.065 -0.043 5.998) 16.215 15.624 ( -0.507 -9.984 3.477) 10.584 15.894 ( -4.564 -3.455 -3.955) 6.958 16.230 ( 15.759 -8.087 3.541) 18.063 16.769 ( -7.295 3.605 3.417) 8.826 16.834 ( -6.891 1.580 -11.736) 13.701 17.554 ( -0.845 -3.650 20.118) 20.463 17.593 ( 4.438 -8.138 -17.018) 19.379 18.295 ( -2.896 2.340 2.178) 4.314 18.542 ( -2.565 6.812 -0.776) 7.320 18.676 ( -0.132 -5.812 -1.800) 6.086 19.053 ( 1.173 6.216 1.451) 6.490 19.559 ( 2.374 -0.091 1.365) 2.740 22.060 ( 0.909 -8.690 3.228) 9.315 22.288 ( -0.999 8.551 0.407) 8.618 24.044 ( 0.847 -7.009 -0.284) 7.066 25.071 ( -0.915 1.311 0.760) 1.770 25.578 ( 0.366 0.620 -0.339) 0.795 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 24.182 0.000) 24.182 1.334 ( 0.000 26.275 0.000) 26.275 1.835 ( 0.000 3.971 0.000) 3.971 1.905 ( 0.000 12.796 0.000) 12.796 2.078 ( 0.000 10.984 0.000) 10.984 2.500 ( 0.000 30.522 0.000) 30.522 2.759 ( 0.000 -0.716 0.000) 0.716 2.939 ( 0.000 -1.615 0.000) 1.615 3.018 ( 0.000 4.763 0.000) 4.763 3.301 ( 0.000 -11.427 0.000) 11.427 3.490 ( 0.000 -5.207 0.000) 5.207 3.547 ( 0.000 -8.910 0.000) 8.910 3.644 ( 0.000 -9.217 0.000) 9.217 3.766 ( 0.000 9.621 0.000) 9.621 3.902 ( 0.000 -23.545 0.000) 23.545 4.127 ( 0.000 6.333 0.000) 6.333 4.391 ( 0.000 -11.237 0.000) 11.237 4.643 ( 0.000 2.902 0.000) 2.902 5.026 ( 0.000 0.307 0.000) 0.307 5.165 ( 0.000 2.498 0.000) 2.498 5.406 ( 0.000 4.330 0.000) 4.330 5.474 ( 0.000 11.191 0.000) 11.191 5.802 ( 0.000 6.171 0.000) 6.171 5.993 ( 0.000 3.890 0.000) 3.890 6.465 ( 0.000 12.923 0.000) 12.923 6.632 ( 0.000 -1.835 0.000) 1.835 6.701 ( 0.000 1.900 0.000) 1.900 7.135 ( 0.000 -8.566 0.000) 8.566 7.864 ( 0.000 0.629 0.000) 0.629 8.121 ( 0.000 3.023 0.000) 3.023 8.389 ( 0.000 -6.445 0.000) 6.445 8.439 ( 0.000 1.420 0.000) 1.420 8.520 ( 0.000 3.101 0.000) 3.101 8.734 ( 0.000 16.402 0.000) 16.402 8.935 ( 0.000 11.007 0.000) 11.007 9.326 ( 0.000 2.472 0.000) 2.472 9.476 ( 0.000 11.572 0.000) 11.572 9.674 ( 0.000 -12.916 0.000) 12.916 9.826 ( 0.000 5.816 0.000) 5.816 9.843 ( 0.000 -3.631 0.000) 3.631 10.548 ( 0.000 -3.076 0.000) 3.076 10.587 ( 0.000 -12.104 0.000) 12.104 11.285 ( 0.000 -2.870 0.000) 2.870 11.458 ( 0.000 3.886 0.000) 3.886 11.741 ( 0.000 8.477 0.000) 8.477 11.837 ( 0.000 3.162 0.000) 3.162 12.004 ( 0.000 6.660 0.000) 6.660 12.228 ( 0.000 5.061 0.000) 5.061 12.463 ( 0.000 7.733 0.000) 7.733 13.168 ( 0.000 0.482 0.000) 0.482 13.207 ( 0.000 -6.511 0.000) 6.511 13.310 ( 0.000 -9.886 0.000) 9.886 14.461 ( 0.000 13.449 0.000) 13.449 14.682 ( 0.000 -2.933 0.000) 2.933 14.888 ( 0.000 1.272 0.000) 1.272 15.559 ( 0.000 7.419 0.000) 7.419 15.660 ( 0.000 -12.121 0.000) 12.121 16.138 ( 0.000 -5.144 0.000) 5.144 16.459 ( 0.000 -8.717 0.000) 8.717 16.845 ( 0.000 -13.933 0.000) 13.933 17.325 ( 0.000 -7.614 0.000) 7.614 17.371 ( 0.000 -0.415 0.000) 0.415 18.363 ( 0.000 3.276 0.000) 3.276 18.770 ( 0.000 2.652 0.000) 2.652 18.875 ( 0.000 0.736 0.000) 0.736 19.081 ( 0.000 -7.424 0.000) 7.424 20.072 ( 0.000 4.249 0.000) 4.249 21.114 ( 0.000 -12.548 0.000) 12.548 22.695 ( 0.000 13.416 0.000) 13.416 23.706 ( 0.000 -5.790 0.000) 5.790 25.282 ( 0.000 -0.081 0.000) 0.081 25.488 ( 0.000 -2.582 0.000) 2.582 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 20.650 15.275 3.367) 25.905 1.370 ( 3.590 23.398 -0.360) 23.674 1.828 ( -0.358 4.171 -2.548) 4.901 1.879 ( -1.064 19.326 -4.531) 19.879 2.164 ( 6.463 2.727 5.763) 9.078 2.525 ( 3.110 27.402 -1.585) 27.623 2.798 ( 3.080 2.521 5.146) 6.506 2.899 ( -3.931 -2.827 -0.332) 4.853 3.046 ( 2.214 3.148 -2.945) 4.846 3.305 ( -0.048 -11.389 0.425) 11.397 3.459 ( -2.840 -3.216 -3.389) 5.468 3.521 ( -3.005 -5.108 3.896) 7.092 3.595 ( -1.956 -11.004 -3.810) 11.808 3.806 ( -0.036 -4.651 3.906) 6.074 3.970 ( 7.969 -8.612 1.861) 11.880 4.189 ( 3.024 1.757 0.759) 3.579 4.427 ( 2.531 -8.746 -1.015) 9.162 4.606 ( -0.643 2.479 -5.712) 6.260 5.032 ( -0.063 3.002 6.728) 7.368 5.193 ( 3.899 2.761 -3.940) 6.193 5.387 ( -2.109 6.341 2.568) 7.159 5.537 ( 5.926 2.688 -0.081) 6.507 5.825 ( 1.631 7.777 -1.806) 8.149 6.006 ( 1.004 3.945 1.262) 4.262 6.472 ( 1.424 11.238 -0.245) 11.331 6.656 ( 1.011 -1.262 7.038) 7.221 6.756 ( 6.051 1.569 -0.445) 6.267 7.225 ( 8.182 -8.340 1.052) 11.731 7.828 ( -4.564 1.780 1.223) 5.049 8.012 ( -9.062 1.000 2.166) 9.371 8.272 ( -7.211 -2.770 2.224) 8.038 8.541 ( 3.982 4.201 -0.934) 5.863 8.565 ( 4.201 -1.444 -2.297) 5.001 8.675 ( -3.776 14.829 -3.447) 15.686 8.989 ( 4.474 12.549 -0.180) 13.324 9.357 ( 3.319 1.766 -2.694) 4.625 9.514 ( 2.147 9.744 6.881) 12.120 9.584 ( -6.506 -7.424 0.507) 9.884 9.748 ( -6.090 -2.080 -1.547) 6.619 9.930 ( 7.898 3.259 -2.985) 9.051 10.465 ( -4.157 -10.800 -1.956) 11.736 10.714 ( 7.594 -3.357 0.799) 8.341 11.222 ( -8.093 0.081 5.313) 9.682 11.326 ( -10.696 6.848 -2.177) 12.885 11.710 ( -1.879 7.544 -4.214) 8.843 11.829 ( -1.422 3.125 -0.408) 3.458 11.911 ( -6.283 4.982 -1.456) 8.150 12.310 ( 7.694 3.368 1.627) 8.555 12.565 ( 5.972 2.925 3.162) 7.364 13.073 ( -4.911 -4.276 -10.302) 12.188 13.172 ( -2.613 -5.817 -1.186) 6.487 13.440 ( 9.572 -4.532 -3.919) 11.293 14.197 ( -10.399 2.514 3.113) 11.143 14.674 ( -12.860 8.045 -5.876) 16.268 15.159 ( 25.923 3.386 5.402) 26.695 15.351 ( -14.440 -3.022 7.027) 16.341 15.669 ( -4.397 -8.280 0.533) 9.390 16.117 ( -2.053 -5.202 -12.030) 13.266 16.519 ( 6.185 -9.052 1.490) 11.064 16.976 ( 8.884 -10.978 3.147) 14.468 17.295 ( -2.218 -2.644 4.985) 6.063 17.429 ( 5.001 -5.024 -3.306) 7.822 18.373 ( 0.801 1.241 0.290) 1.505 18.716 ( -3.594 1.266 -3.074) 4.896 18.816 ( -6.142 0.442 -0.958) 6.232 19.133 ( 2.579 -6.926 4.019) 8.412 19.801 ( -16.780 13.688 -4.017) 22.024 21.387 ( 17.661 -17.929 9.485) 26.895 22.652 ( -4.226 13.489 1.428) 14.207 23.753 ( 4.196 -7.391 -0.794) 8.536 25.229 ( -4.651 1.249 1.766) 5.130 25.514 ( 2.199 -2.550 -1.077) 3.535 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 4.248 16.940 -2.622) 17.660 1.515 ( 16.610 11.453 5.373) 20.879 1.805 ( -1.247 4.620 0.905) 4.870 1.883 ( 4.706 16.711 -6.123) 18.410 2.292 ( 4.407 -2.103 3.173) 5.823 2.619 ( 6.838 18.534 -0.633) 19.766 2.792 ( -7.397 -4.251 2.668) 8.939 2.889 ( 4.282 7.010 3.404) 8.892 3.050 ( -0.023 -3.091 -7.647) 8.248 3.280 ( -2.685 -10.149 0.984) 10.544 3.379 ( -3.367 0.779 -2.036) 4.011 3.513 ( 0.495 1.250 7.764) 7.879 3.573 ( 0.816 -10.962 -5.878) 12.465 3.830 ( 1.153 -4.185 5.882) 7.310 4.056 ( -1.440 -4.653 -3.169) 5.810 4.185 ( -0.889 -2.098 -3.398) 4.091 4.435 ( -1.138 -4.622 -2.191) 5.240 4.674 ( 8.477 2.311 -1.130) 8.859 5.063 ( 1.110 8.753 4.134) 9.744 5.291 ( 6.264 2.832 -1.730) 7.089 5.339 ( -3.138 4.620 0.577) 5.615 5.678 ( 7.911 -4.643 2.229) 9.440 5.822 ( -1.322 9.916 -1.903) 10.183 6.021 ( -0.275 4.427 0.815) 4.509 6.534 ( 5.165 9.253 -0.387) 10.604 6.707 ( 1.475 0.011 10.083) 10.190 6.907 ( 8.885 0.230 0.601) 8.908 7.397 ( 8.144 -6.795 -0.431) 10.615 7.673 ( -10.636 1.189 -0.063) 10.702 7.885 ( -5.225 3.081 3.679) 7.094 8.150 ( -5.562 -5.337 2.539) 8.116 8.481 ( -7.595 3.656 -5.861) 10.266 8.640 ( 4.533 3.813 2.507) 6.432 8.679 ( 3.334 10.807 -4.151) 12.047 9.068 ( 3.212 12.838 0.243) 13.236 9.421 ( -1.030 -3.090 -2.418) 4.057 9.441 ( 0.057 -0.673 -0.640) 0.931 9.606 ( 0.887 5.043 -3.540) 6.225 9.670 ( -0.759 1.008 12.354) 12.418 10.080 ( 6.568 3.565 -0.988) 7.538 10.396 ( -0.148 -10.469 -8.234) 13.320 10.807 ( -0.059 -1.324 -0.757) 1.526 11.049 ( -6.840 9.729 6.995) 13.798 11.177 ( -4.169 6.159 -2.813) 7.951 11.664 ( -1.644 4.053 -5.757) 7.230 11.763 ( -5.544 2.315 -1.078) 6.104 11.802 ( -4.959 1.546 3.106) 6.052 12.428 ( 1.943 3.322 -1.941) 4.310 12.619 ( -1.144 -9.356 5.254) 10.791 12.952 ( -4.231 -6.814 -10.263) 13.025 13.186 ( 5.029 -0.932 5.134) 7.247 13.615 ( 11.145 -2.176 -6.466) 13.067 14.092 ( -4.538 0.591 -4.066) 6.121 14.513 ( -0.740 6.332 1.945) 6.665 15.024 ( -16.381 -8.815 6.516) 19.710 15.502 ( -10.757 -9.527 1.492) 14.447 15.728 ( 25.234 2.083 5.827) 25.982 15.999 ( -5.508 -0.856 -10.706) 12.070 16.650 ( 6.330 -8.107 -2.083) 10.494 17.055 ( -1.629 -2.721 -4.536) 5.534 17.310 ( 1.853 -3.094 11.898) 12.432 17.513 ( 4.412 -4.708 -5.475) 8.462 18.381 ( -0.573 -1.135 1.066) 1.659 18.628 ( -7.048 -1.037 -0.446) 7.137 18.672 ( -5.104 -0.404 -2.700) 5.788 19.144 ( -1.479 -3.402 1.067) 3.860 19.629 ( -1.558 14.105 1.148) 14.237 21.672 ( 9.358 -18.304 6.509) 21.563 22.570 ( -4.271 13.093 1.184) 13.823 23.828 ( 3.405 -9.045 -0.730) 9.692 25.152 ( -3.590 2.360 1.753) 4.640 25.549 ( 1.679 -2.112 -0.855) 2.830 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.126 13.867 -2.252) 14.094 1.687 ( 2.290 21.675 3.740) 22.115 1.795 ( -0.053 2.404 -1.461) 2.814 2.042 ( 8.831 2.482 -0.648) 9.196 2.344 ( 0.934 -1.150 0.440) 1.546 2.641 ( -5.856 -7.135 2.561) 9.579 2.753 ( 4.084 12.945 -1.151) 13.623 2.948 ( 1.170 4.190 -0.108) 4.351 3.031 ( 0.244 -7.699 -3.242) 8.357 3.237 ( -1.797 -7.245 1.821) 7.683 3.345 ( -0.118 9.100 -0.375) 9.109 3.548 ( 0.526 -1.130 4.733) 4.895 3.576 ( 0.796 -6.220 -4.522) 7.731 3.842 ( -1.746 -3.924 1.687) 4.615 4.027 ( 2.810 -2.284 0.877) 3.726 4.127 ( -4.813 3.171 -3.512) 6.749 4.404 ( -0.759 -9.224 -1.538) 9.382 4.857 ( 8.913 2.052 1.102) 9.212 5.055 ( -3.419 12.298 -0.143) 12.766 5.285 ( -1.263 5.868 0.693) 6.042 5.390 ( 3.102 2.124 -0.650) 3.815 5.771 ( -1.135 11.023 -0.508) 11.093 5.833 ( 5.141 -8.387 1.042) 9.892 5.992 ( -2.479 6.007 0.160) 6.500 6.632 ( 3.884 8.568 -1.657) 9.552 6.759 ( 0.802 2.099 6.548) 6.923 7.068 ( 7.233 0.111 0.775) 7.276 7.377 ( -8.729 0.028 -1.424) 8.844 7.623 ( 6.118 -3.924 0.274) 7.274 7.782 ( -6.820 1.205 0.546) 6.948 8.129 ( 2.185 -5.411 4.591) 7.424 8.315 ( -6.798 0.433 -5.443) 8.720 8.691 ( 0.554 18.109 0.766) 18.133 8.755 ( 4.049 1.569 -1.450) 4.578 9.098 ( 0.094 9.743 0.456) 9.754 9.345 ( -1.964 -4.580 -1.511) 5.208 9.526 ( 2.999 2.038 0.952) 3.749 9.593 ( 0.751 -2.705 -1.338) 3.110 9.702 ( -0.759 5.168 4.822) 7.109 10.101 ( -2.473 1.002 1.131) 2.898 10.471 ( 8.494 -4.279 -9.740) 13.614 10.735 ( -5.543 4.465 5.298) 8.873 11.007 ( -1.011 -0.813 1.115) 1.710 11.167 ( 2.534 21.310 -1.990) 21.553 11.579 ( -5.212 -4.842 -1.137) 7.204 11.679 ( -1.546 -1.248 -1.139) 2.290 11.747 ( -1.825 3.621 2.504) 4.766 12.382 ( -3.075 -0.714 -0.854) 3.271 12.625 ( 0.618 -10.793 1.564) 10.924 12.855 ( -2.932 -11.529 -4.644) 12.770 13.329 ( 5.209 6.283 4.999) 9.570 13.801 ( 7.604 -4.206 -3.996) 9.564 13.980 ( -3.698 1.144 -3.704) 5.358 14.605 ( 6.946 -0.065 2.160) 7.275 14.770 ( -11.626 -6.244 3.852) 13.747 15.329 ( -5.752 -16.801 0.434) 17.764 15.872 ( -3.043 2.050 -5.285) 6.435 16.149 ( 13.472 1.456 3.901) 14.101 16.725 ( 2.131 -5.585 -1.098) 6.078 16.945 ( -5.679 6.401 -3.399) 9.207 17.405 ( 3.163 -5.559 9.007) 11.047 17.541 ( 0.608 -2.865 -6.926) 7.520 18.339 ( -3.436 2.642 2.205) 4.863 18.525 ( -1.430 -7.349 -2.067) 7.767 18.610 ( -1.864 -0.682 -0.335) 2.013 19.128 ( -0.268 -1.577 0.201) 1.612 19.646 ( 1.041 10.279 1.059) 10.386 21.794 ( 2.605 -16.841 2.165) 17.178 22.513 ( -1.691 12.562 0.373) 12.681 23.869 ( 1.128 -9.487 -0.280) 9.558 25.110 ( -1.212 2.558 0.713) 2.919 25.570 ( 0.616 -1.769 -0.307) 1.898 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 22.499 0.000) 22.499 1.767 ( 0.000 15.229 0.000) 15.229 1.922 ( 0.000 4.320 0.000) 4.320 2.001 ( 0.000 1.319 0.000) 1.319 2.267 ( 0.000 7.503 0.000) 7.503 2.747 ( 0.000 -7.776 0.000) 7.776 2.750 ( 0.000 -0.406 0.000) 0.406 2.918 ( 0.000 1.327 0.000) 1.327 3.153 ( 0.000 -4.871 0.000) 4.871 3.269 ( 0.000 3.321 0.000) 3.321 3.327 ( 0.000 -9.979 0.000) 9.979 3.379 ( 0.000 -14.777 0.000) 14.777 3.447 ( 0.000 -2.875 0.000) 2.875 3.670 ( 0.000 19.069 0.000) 19.069 3.856 ( 0.000 -7.492 0.000) 7.492 4.182 ( 0.000 6.402 0.000) 6.402 4.431 ( 0.000 11.557 0.000) 11.557 4.683 ( 0.000 0.911 0.000) 0.911 4.992 ( 0.000 -3.632 0.000) 3.632 5.110 ( 0.000 -7.130 0.000) 7.130 5.554 ( 0.000 8.315 0.000) 8.315 5.670 ( 0.000 6.845 0.000) 6.845 5.939 ( 0.000 6.893 0.000) 6.893 6.059 ( 0.000 2.426 0.000) 2.426 6.584 ( 0.000 -2.222 0.000) 2.222 6.713 ( 0.000 9.831 0.000) 9.831 6.758 ( 0.000 3.483 0.000) 3.483 6.940 ( 0.000 -10.332 0.000) 10.332 7.865 ( 0.000 -0.101 0.000) 0.101 8.121 ( 0.000 -4.734 0.000) 4.734 8.295 ( 0.000 1.419 0.000) 1.419 8.442 ( 0.000 0.607 0.000) 0.607 8.613 ( 0.000 6.335 0.000) 6.335 9.105 ( 0.000 14.400 0.000) 14.400 9.174 ( 0.000 8.376 0.000) 8.376 9.381 ( 0.000 4.661 0.000) 4.661 9.386 ( 0.000 -10.725 0.000) 10.725 9.630 ( 0.000 -7.909 0.000) 7.909 9.753 ( 0.000 4.999 0.000) 4.999 9.978 ( 0.000 7.483 0.000) 7.483 10.335 ( 0.000 -11.078 0.000) 11.078 10.514 ( 0.000 -1.607 0.000) 1.607 11.251 ( 0.000 0.145 0.000) 0.145 11.539 ( 0.000 1.521 0.000) 1.521 11.834 ( 0.000 0.710 0.000) 0.710 11.899 ( 0.000 6.173 0.000) 6.173 12.210 ( 0.000 11.269 0.000) 11.269 12.366 ( 0.000 7.549 0.000) 7.549 12.572 ( 0.000 2.427 0.000) 2.427 13.024 ( 0.000 -10.944 0.000) 10.944 13.175 ( 0.000 -3.160 0.000) 3.160 13.186 ( 0.000 0.846 0.000) 0.846 14.643 ( 0.000 0.401 0.000) 0.401 14.713 ( 0.000 10.388 0.000) 10.388 14.930 ( 0.000 2.231 0.000) 2.231 15.365 ( 0.000 -16.029 0.000) 16.029 15.730 ( 0.000 9.051 0.000) 9.051 16.045 ( 0.000 -3.202 0.000) 3.202 16.276 ( 0.000 -8.607 0.000) 8.607 16.525 ( 0.000 -16.364 0.000) 16.364 17.211 ( 0.000 -2.696 0.000) 2.696 17.342 ( 0.000 -2.426 0.000) 2.426 18.447 ( 0.000 4.795 0.000) 4.795 18.836 ( 0.000 3.425 0.000) 3.425 18.861 ( 0.000 -4.720 0.000) 4.720 18.943 ( 0.000 -3.087 0.000) 3.087 20.187 ( 0.000 6.992 0.000) 6.992 20.857 ( 0.000 -12.499 0.000) 12.499 22.951 ( 0.000 11.437 0.000) 11.437 23.562 ( 0.000 -8.103 0.000) 8.103 25.288 ( 0.000 0.690 0.000) 0.690 25.428 ( 0.000 -3.172 0.000) 3.172 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 10.586 18.251 -0.058) 21.099 1.766 ( 0.765 14.057 -2.819) 14.357 1.914 ( -0.740 4.121 -1.129) 4.336 2.074 ( 5.676 3.108 3.937) 7.575 2.267 ( 0.120 6.788 -3.180) 7.497 2.710 ( -2.889 -4.435 -0.985) 5.384 2.816 ( 4.417 -6.938 2.779) 8.681 2.886 ( -1.711 3.219 -0.387) 3.666 3.159 ( -2.045 -2.475 -3.308) 4.610 3.204 ( -2.382 1.852 2.377) 3.841 3.327 ( 0.222 -8.634 -0.997) 8.694 3.372 ( -1.277 -9.247 -3.396) 9.934 3.456 ( 0.336 -5.813 2.864) 6.489 3.711 ( 5.240 15.059 0.510) 15.953 3.908 ( 4.761 -8.605 -2.228) 10.083 4.244 ( 2.685 9.263 4.269) 10.547 4.471 ( 2.885 9.601 -1.443) 10.128 4.631 ( -2.043 -0.176 -2.422) 3.174 5.032 ( 4.573 -2.631 1.431) 5.467 5.162 ( 4.383 -6.291 1.543) 7.821 5.514 ( -3.247 6.475 -0.230) 7.247 5.637 ( -2.654 4.792 -1.225) 5.613 5.980 ( 2.987 7.107 0.710) 7.742 6.086 ( 1.962 3.495 1.325) 4.221 6.610 ( 3.436 -0.081 -0.882) 3.548 6.729 ( 0.824 9.474 1.875) 9.693 6.803 ( 4.713 2.978 -0.376) 5.588 7.025 ( 8.253 -10.981 0.841) 13.762 7.862 ( -1.404 1.228 2.672) 3.259 7.998 ( -9.301 -1.791 0.897) 9.514 8.231 ( -6.553 0.575 -0.433) 6.593 8.534 ( 4.105 -1.572 -1.240) 4.567 8.624 ( 2.619 5.513 0.685) 6.142 8.964 ( -6.639 10.770 -9.509) 15.827 9.271 ( 4.388 6.767 0.829) 8.108 9.364 ( -1.922 -7.431 2.298) 8.012 9.436 ( 3.092 7.216 5.881) 9.809 9.624 ( 0.219 -6.449 -3.044) 7.134 9.739 ( -0.739 6.787 2.727) 7.351 10.023 ( 3.966 2.581 -1.728) 5.038 10.249 ( -3.644 -6.128 -4.205) 8.278 10.630 ( 7.921 -4.775 -1.522) 9.374 11.221 ( -4.045 1.246 5.270) 6.759 11.471 ( -6.843 5.278 3.258) 9.236 11.783 ( -4.647 -1.596 -1.567) 5.158 11.894 ( -0.796 6.142 1.934) 6.489 12.101 ( -8.198 10.515 -3.335) 13.744 12.365 ( 0.425 1.996 1.828) 2.740 12.636 ( 1.538 2.740 0.966) 3.287 12.982 ( -5.689 -7.862 -0.869) 9.743 13.095 ( 2.452 2.121 -8.101) 8.725 13.363 ( 10.826 -3.077 -1.978) 11.427 14.240 ( -16.239 2.870 5.575) 17.408 14.784 ( -10.883 1.375 -0.593) 10.986 15.115 ( -19.957 -13.067 0.533) 23.860 15.212 ( 20.674 -0.670 2.599) 20.847 15.719 ( -0.654 10.470 2.809) 10.860 16.059 ( 1.727 -0.485 -10.776) 10.924 16.348 ( 6.855 -7.572 -0.850) 10.250 16.708 ( 15.255 -15.278 3.882) 21.936 17.224 ( 1.000 -2.593 2.742) 3.904 17.345 ( 0.625 -3.337 -0.953) 3.527 18.428 ( -1.546 3.956 -2.409) 4.883 18.727 ( -5.215 -0.959 -6.785) 8.611 18.830 ( -6.871 0.934 1.143) 7.027 18.988 ( 1.914 -6.252 6.752) 9.399 20.063 ( -8.007 12.840 -1.918) 15.253 21.032 ( 12.849 -16.889 5.434) 21.906 22.916 ( -3.343 12.141 0.054) 12.593 23.586 ( 2.292 -8.921 -0.465) 9.223 25.257 ( -2.792 1.668 1.126) 3.442 25.449 ( 1.901 -3.627 -0.693) 4.153 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 10.686 10.172 -5.785) 15.848 1.791 ( 2.094 13.069 5.385) 14.289 1.895 ( 0.122 4.164 -1.149) 4.321 2.183 ( 3.514 10.387 -3.024) 11.374 2.255 ( 0.724 -0.838 0.671) 1.295 2.618 ( -7.137 -6.256 6.432) 11.465 2.868 ( -0.411 -7.271 -0.805) 7.327 2.901 ( 4.496 3.508 -9.207) 10.830 3.073 ( -2.302 0.116 0.171) 2.311 3.229 ( -2.556 6.980 3.409) 8.178 3.310 ( -0.136 -11.241 -0.384) 11.249 3.368 ( 5.168 -2.500 -2.630) 6.314 3.468 ( 0.504 -7.476 -0.003) 7.493 3.875 ( 10.775 7.447 1.182) 13.152 3.987 ( 3.669 -8.498 -1.361) 9.356 4.154 ( -11.676 10.856 -1.297) 15.996 4.520 ( 0.726 8.584 -1.254) 8.706 4.679 ( 6.294 -1.781 3.241) 7.300 5.166 ( 7.719 0.404 2.250) 8.050 5.270 ( 6.392 -4.203 -0.383) 7.660 5.454 ( -2.674 4.675 0.022) 5.386 5.594 ( -0.882 -1.473 -0.479) 1.783 6.015 ( 0.052 8.172 0.257) 8.176 6.120 ( 0.972 4.416 0.664) 4.570 6.707 ( 5.942 3.218 0.780) 6.803 6.765 ( 2.809 8.563 1.491) 9.135 6.921 ( 7.198 0.992 2.109) 7.566 7.220 ( 11.393 -9.656 -0.287) 14.937 7.733 ( -11.841 4.204 -1.059) 12.610 7.928 ( 0.651 0.738 5.706) 5.790 8.056 ( -10.986 -1.979 0.003) 11.162 8.474 ( -7.969 -3.190 -4.291) 9.596 8.707 ( 3.762 3.968 -2.313) 5.936 8.897 ( 2.689 8.414 -4.777) 10.042 9.308 ( -4.014 -4.648 2.518) 6.638 9.336 ( 2.475 2.640 0.107) 3.620 9.509 ( 2.553 7.469 2.495) 8.279 9.614 ( -0.460 4.280 -3.249) 5.393 9.756 ( -0.157 0.323 4.597) 4.611 10.070 ( 1.928 -4.644 2.796) 5.754 10.282 ( 8.991 2.614 -10.461) 14.040 10.721 ( 1.926 -6.350 -4.892) 8.244 11.131 ( -7.012 4.807 7.986) 11.664 11.390 ( -0.464 9.872 5.069) 11.107 11.685 ( -4.918 -4.574 1.074) 6.801 11.882 ( -2.227 4.319 0.712) 4.911 11.912 ( -9.792 11.764 -1.556) 15.385 12.372 ( -0.252 -8.152 0.849) 8.200 12.554 ( -8.603 2.658 -1.827) 9.188 12.822 ( -9.527 -5.871 -4.924) 12.226 13.230 ( 11.599 5.217 1.197) 12.775 13.567 ( 11.903 -2.707 -5.694) 13.469 14.089 ( -4.403 0.186 4.322) 6.173 14.624 ( -4.630 2.064 2.122) 5.496 14.741 ( -17.549 -13.571 2.586) 22.334 15.245 ( -12.010 -12.330 -0.798) 17.231 15.962 ( 19.655 15.386 4.508) 25.364 16.021 ( -1.713 2.823 -10.263) 10.781 16.488 ( 7.937 -7.071 -2.916) 11.022 16.977 ( 9.221 -5.648 2.713) 11.148 17.264 ( 1.912 -2.095 4.849) 5.618 17.375 ( 3.443 -7.201 -1.904) 8.206 18.382 ( -1.846 1.403 -4.508) 5.069 18.610 ( -6.417 -1.669 -1.947) 6.911 18.659 ( -9.551 0.462 0.706) 9.588 19.014 ( -0.424 -7.623 3.242) 8.294 19.966 ( -1.976 17.955 0.302) 18.065 21.263 ( 8.857 -21.094 4.395) 23.297 22.844 ( -3.654 13.488 -0.055) 13.974 23.630 ( 2.111 -10.395 -0.520) 10.620 25.208 ( -2.442 3.179 1.104) 4.158 25.482 ( 1.635 -4.217 -0.540) 4.554 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.996 11.429 -5.826) 12.867 1.830 ( -0.590 3.156 4.085) 5.196 1.993 ( 6.792 8.588 5.171) 12.109 2.148 ( -3.066 5.466 -8.114) 10.253 2.337 ( 4.657 1.319 2.744) 5.564 2.507 ( -5.480 -5.550 4.314) 8.913 2.833 ( -1.307 -8.376 -1.825) 8.672 2.981 ( 6.134 6.979 -9.142) 13.035 3.057 ( -0.922 -0.060 1.697) 1.932 3.121 ( -6.411 1.531 3.778) 7.597 3.343 ( 1.830 -12.693 -0.558) 12.836 3.426 ( -1.246 -5.580 3.024) 6.468 3.591 ( 13.368 6.529 -3.051) 15.187 3.884 ( -14.272 5.143 -1.063) 15.208 4.030 ( 1.451 -9.106 -1.339) 9.318 4.087 ( 8.223 8.767 2.242) 12.228 4.451 ( -5.316 10.145 -0.698) 11.475 4.821 ( 5.237 -4.685 2.067) 7.324 5.253 ( 0.513 4.198 -0.393) 4.247 5.372 ( 3.481 1.518 0.542) 3.836 5.435 ( 0.503 3.434 -0.555) 3.515 5.610 ( 1.619 -9.704 0.651) 9.860 5.996 ( -1.167 9.287 -0.055) 9.360 6.121 ( -0.536 5.210 -0.092) 5.238 6.801 ( 2.677 4.313 3.949) 6.432 6.821 ( 1.895 5.994 -2.371) 6.719 7.100 ( 10.717 3.192 2.923) 11.558 7.376 ( -3.453 -0.873 -2.163) 4.167 7.556 ( 3.445 -1.350 0.652) 3.758 7.790 ( -13.603 0.072 -1.815) 13.724 8.035 ( 4.912 -3.619 6.539) 8.944 8.281 ( -8.431 -4.189 -5.598) 10.953 8.765 ( 2.989 0.914 -2.986) 4.323 8.950 ( 1.718 8.234 0.056) 8.412 9.262 ( -0.892 -1.958 1.651) 2.712 9.345 ( -1.713 2.931 0.673) 3.461 9.536 ( 0.230 0.168 -0.841) 0.888 9.622 ( 2.498 10.854 -0.303) 11.142 9.726 ( -2.874 -3.646 0.527) 4.672 10.139 ( 2.394 2.947 3.147) 4.932 10.420 ( 5.999 -0.049 -6.782) 9.055 10.724 ( 1.138 -7.049 -3.059) 7.768 11.037 ( -4.037 8.561 4.842) 10.632 11.468 ( 4.992 7.174 -0.437) 8.751 11.617 ( -2.835 -3.682 7.511) 8.832 11.687 ( -8.494 9.521 -2.025) 12.920 11.881 ( -0.534 9.323 -0.643) 9.360 12.357 ( -4.049 -5.509 0.781) 6.882 12.427 ( 1.121 -5.194 -1.162) 5.440 12.626 ( -8.135 -9.359 -4.023) 13.037 13.469 ( 9.966 7.168 4.877) 13.209 13.738 ( 4.988 -1.909 -5.269) 7.502 14.002 ( -3.868 1.433 -0.643) 4.175 14.508 ( -6.865 -12.204 2.495) 14.223 14.632 ( 2.211 -2.076 3.192) 4.403 15.009 ( -8.830 -13.547 -1.707) 16.261 15.955 ( -1.614 5.353 -4.347) 7.082 16.255 ( 7.604 5.365 1.841) 9.487 16.621 ( 5.620 -1.254 -1.448) 5.937 17.057 ( 0.382 4.094 0.499) 4.142 17.323 ( 2.180 -2.931 4.836) 6.060 17.434 ( 2.052 -7.727 -3.157) 8.595 18.344 ( -0.769 -3.690 -2.973) 4.801 18.475 ( -5.079 4.930 1.812) 7.307 18.541 ( -3.254 -5.487 -0.720) 6.420 19.011 ( -0.254 -8.193 0.716) 8.228 19.958 ( 0.160 18.764 0.522) 18.772 21.382 ( 2.821 -22.522 1.573) 22.753 22.792 ( -1.505 14.402 -0.058) 14.481 23.656 ( 0.749 -11.311 -0.220) 11.338 25.178 ( -0.885 4.033 0.447) 4.153 25.503 ( 0.621 -4.529 -0.188) 4.575 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 16.459 0.000) 16.459 1.968 ( 0.000 4.907 0.000) 4.907 1.980 ( 0.000 -2.975 0.000) 2.975 1.998 ( 0.000 0.678 0.000) 0.678 2.395 ( 0.000 5.491 0.000) 5.491 2.544 ( 0.000 -9.494 0.000) 9.494 2.754 ( 0.000 2.218 0.000) 2.218 2.905 ( 0.000 -12.984 0.000) 12.984 3.023 ( 0.000 7.612 0.000) 7.612 3.159 ( 0.000 -5.548 0.000) 5.548 3.195 ( 0.000 -1.850 0.000) 1.850 3.260 ( 0.000 -5.992 0.000) 5.992 3.420 ( 0.000 5.329 0.000) 5.329 3.613 ( 0.000 -12.106 0.000) 12.106 4.229 ( 0.000 22.013 0.000) 22.013 4.360 ( 0.000 6.170 0.000) 6.170 4.673 ( 0.000 10.812 0.000) 10.812 4.694 ( 0.000 1.889 0.000) 1.889 4.874 ( 0.000 -7.679 0.000) 7.679 4.890 ( 0.000 -13.292 0.000) 13.292 5.700 ( 0.000 5.081 0.000) 5.081 5.746 ( 0.000 0.663 0.000) 0.663 6.061 ( 0.000 4.030 0.000) 4.030 6.092 ( 0.000 0.561 0.000) 0.561 6.572 ( 0.000 2.116 0.000) 2.116 6.697 ( 0.000 -9.220 0.000) 9.220 6.834 ( 0.000 3.375 0.000) 3.375 6.862 ( 0.000 1.485 0.000) 1.485 7.891 ( 0.000 3.142 0.000) 3.142 7.992 ( 0.000 -6.198 0.000) 6.198 8.395 ( 0.000 5.803 0.000) 5.803 8.462 ( 0.000 -0.052 0.000) 0.052 8.779 ( 0.000 9.471 0.000) 9.471 9.008 ( 0.000 -12.713 0.000) 12.713 9.226 ( 0.000 2.248 0.000) 2.248 9.381 ( 0.000 -11.708 0.000) 11.708 9.547 ( 0.000 14.873 0.000) 14.873 9.591 ( 0.000 11.108 0.000) 11.108 9.821 ( 0.000 -1.276 0.000) 1.276 9.925 ( 0.000 -12.003 0.000) 12.003 10.304 ( 0.000 7.098 0.000) 7.098 10.445 ( 0.000 -5.360 0.000) 5.360 11.312 ( 0.000 5.788 0.000) 5.788 11.461 ( 0.000 -7.365 0.000) 7.365 11.920 ( 0.000 5.189 0.000) 5.189 11.973 ( 0.000 0.582 0.000) 0.582 12.432 ( 0.000 9.405 0.000) 9.405 12.534 ( 0.000 9.407 0.000) 9.407 12.562 ( 0.000 -3.282 0.000) 3.282 12.772 ( 0.000 -12.799 0.000) 12.799 13.163 ( 0.000 1.166 0.000) 1.166 13.189 ( 0.000 -0.729 0.000) 0.729 14.729 ( 0.000 7.980 0.000) 7.980 14.857 ( 0.000 1.883 0.000) 1.883 14.963 ( 0.000 0.760 0.000) 0.760 15.045 ( 0.000 -12.356 0.000) 12.356 15.931 ( 0.000 10.335 0.000) 10.335 16.023 ( 0.000 0.956 0.000) 0.956 16.124 ( 0.000 -5.457 0.000) 5.457 16.208 ( 0.000 -13.528 0.000) 13.528 17.211 ( 0.000 2.183 0.000) 2.183 17.276 ( 0.000 -3.611 0.000) 3.611 18.561 ( 0.000 6.333 0.000) 6.333 18.708 ( 0.000 -7.861 0.000) 7.861 18.898 ( 0.000 2.380 0.000) 2.380 18.928 ( 0.000 -0.549 0.000) 0.549 20.364 ( 0.000 10.218 0.000) 10.218 20.600 ( 0.000 -12.251 0.000) 12.251 23.173 ( 0.000 10.300 0.000) 10.300 23.378 ( 0.000 -9.522 0.000) 9.522 25.314 ( 0.000 1.870 0.000) 1.870 25.364 ( 0.000 -2.883 0.000) 2.883 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.723 13.842 -3.780) 15.106 1.932 ( 0.828 2.224 -6.323) 6.754 1.993 ( -0.850 3.527 4.955) 6.141 2.080 ( 4.524 -3.219 8.184) 9.889 2.398 ( 0.495 6.214 -4.156) 7.492 2.548 ( -0.356 -8.567 0.260) 8.578 2.751 ( 0.089 2.446 1.739) 3.002 2.924 ( 0.603 -13.259 2.823) 13.569 3.010 ( 0.001 7.213 -4.597) 8.553 3.142 ( 0.495 -5.293 -2.947) 6.078 3.239 ( 2.928 -1.848 0.189) 3.467 3.282 ( 1.987 -4.284 1.405) 4.927 3.396 ( -1.229 6.461 -2.283) 6.961 3.619 ( 1.684 -13.254 -5.368) 14.398 4.210 ( -1.021 19.999 1.643) 20.093 4.443 ( 6.290 0.575 0.967) 6.390 4.605 ( -7.670 7.897 -2.483) 11.285 4.706 ( 1.710 7.054 3.228) 7.944 4.932 ( 7.668 -6.955 -1.969) 10.538 4.963 ( 5.465 -10.722 4.566) 12.872 5.635 ( -5.040 4.618 -2.331) 7.222 5.687 ( -4.927 -0.174 -1.602) 5.184 6.099 ( 2.899 4.059 1.320) 5.159 6.135 ( 2.791 0.692 2.293) 3.678 6.637 ( 6.242 4.010 2.186) 7.735 6.790 ( 7.518 -9.852 4.736) 13.267 6.863 ( 3.399 2.403 -4.248) 5.947 6.872 ( 2.399 2.405 -2.117) 4.002 7.894 ( -0.480 2.365 3.431) 4.195 7.952 ( -4.163 -2.747 1.725) 5.278 8.311 ( -7.127 6.765 -3.217) 10.340 8.462 ( -2.328 -6.144 -2.546) 7.046 8.791 ( 1.769 10.125 0.702) 10.303 8.995 ( -0.039 -7.562 -7.453) 10.618 9.243 ( 0.576 1.244 5.058) 5.241 9.370 ( -2.272 -6.551 0.031) 6.934 9.459 ( -0.847 8.071 -4.745) 9.401 9.676 ( -0.195 -3.677 1.741) 4.074 9.802 ( 2.151 6.907 1.687) 7.428 9.956 ( 2.183 -4.830 3.817) 6.531 10.328 ( 3.283 8.683 -4.730) 10.419 10.503 ( 5.055 -7.669 -2.317) 9.473 11.295 ( -2.500 6.094 7.135) 9.711 11.444 ( -2.310 -6.794 7.215) 10.176 11.846 ( -6.860 6.526 -3.381) 10.054 11.945 ( -2.957 -1.672 -0.680) 3.465 12.298 ( -9.381 7.807 -2.584) 12.475 12.388 ( -7.854 -0.659 -0.478) 7.896 12.683 ( 2.360 2.910 0.965) 3.869 12.800 ( 0.094 -8.287 1.335) 8.394 13.195 ( 6.158 5.748 -5.260) 9.931 13.296 ( 9.195 -3.860 -2.998) 10.414 14.358 ( -19.345 9.208 5.685) 22.166 14.614 ( -18.876 -14.344 4.725) 24.174 15.040 ( -7.604 4.043 -2.889) 9.084 15.147 ( 2.693 -5.107 -0.535) 5.798 16.003 ( 10.033 15.511 3.738) 18.848 16.097 ( 4.074 3.934 -8.338) 10.079 16.206 ( 8.411 -5.968 -2.920) 10.718 16.365 ( 17.280 -17.144 2.899) 24.513 17.218 ( 0.397 1.717 1.937) 2.619 17.275 ( -0.273 -3.384 0.959) 3.528 18.530 ( -2.476 5.755 -4.991) 8.010 18.654 ( -3.893 -5.682 -7.819) 10.420 18.858 ( -6.102 1.725 3.811) 7.398 18.900 ( -2.754 -2.584 6.643) 7.641 20.351 ( -0.345 15.191 0.415) 15.201 20.684 ( 6.617 -16.753 2.751) 18.221 23.158 ( -1.469 11.393 -0.326) 11.492 23.385 ( 0.604 -10.512 -0.360) 10.535 25.303 ( -0.966 2.821 0.403) 3.009 25.372 ( 0.719 -3.689 -0.205) 3.764 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 3.923 7.549 -7.850) 11.576 1.955 ( 1.415 0.812 -3.102) 3.505 2.005 ( 1.422 8.428 9.489) 12.771 2.168 ( 1.510 -6.530 7.769) 10.261 2.383 ( 0.083 7.661 -5.893) 9.665 2.514 ( -3.292 -4.855 0.695) 5.907 2.761 ( 0.097 2.030 0.367) 2.066 2.938 ( 0.775 -11.529 0.895) 11.589 3.015 ( 2.478 5.621 -7.578) 9.755 3.141 ( -0.846 -5.723 -3.433) 6.727 3.268 ( -0.726 -0.496 1.892) 2.086 3.315 ( -0.767 -4.178 3.461) 5.479 3.450 ( 10.205 8.489 -3.757) 13.795 3.679 ( 7.040 -13.186 -5.255) 15.845 4.208 ( -0.569 14.373 2.590) 14.616 4.385 ( -10.272 2.548 -4.258) 11.408 4.605 ( 6.083 4.444 3.996) 8.527 4.704 ( -3.098 1.849 3.505) 5.030 5.111 ( 10.150 -3.772 -0.789) 10.857 5.135 ( 10.607 -6.194 3.220) 12.698 5.539 ( -3.673 3.590 -2.297) 5.626 5.587 ( -4.480 -0.854 -1.410) 4.773 6.143 ( 0.922 4.112 0.938) 4.317 6.179 ( 1.057 0.760 1.084) 1.694 6.782 ( 5.927 5.088 5.641) 9.635 6.880 ( 1.341 -1.301 1.547) 2.425 6.953 ( 9.312 3.442 -0.697) 9.953 7.042 ( 14.072 -6.227 -3.784) 15.846 7.829 ( -8.481 4.377 0.674) 9.567 7.899 ( -2.298 -2.627 4.822) 5.953 8.121 ( -10.702 7.669 -3.245) 13.560 8.327 ( -9.596 -10.484 -5.057) 15.085 8.839 ( 2.224 8.995 -1.184) 9.341 8.991 ( 2.626 -1.898 -5.991) 6.811 9.255 ( -1.680 0.214 7.109) 7.308 9.316 ( -2.457 -1.883 -0.406) 3.122 9.486 ( 3.611 0.166 -4.818) 6.023 9.619 ( -2.753 -9.651 -1.815) 10.199 9.907 ( 5.137 12.672 4.296) 14.332 10.039 ( 5.546 -1.202 4.347) 7.148 10.390 ( 4.900 7.204 -7.762) 11.668 10.565 ( 1.830 -8.649 -5.298) 10.307 11.272 ( -2.638 8.394 10.632) 13.800 11.449 ( 0.239 -6.951 11.974) 13.847 11.693 ( -6.500 8.584 -2.521) 11.059 11.866 ( -4.964 -5.787 0.252) 7.628 12.128 ( -6.655 7.892 -2.864) 10.713 12.246 ( -5.990 -4.412 -3.009) 8.025 12.612 ( -9.155 3.560 -1.567) 9.947 12.709 ( -9.734 -5.269 -0.959) 11.110 13.368 ( 12.570 7.121 -2.097) 14.598 13.493 ( 12.449 -4.731 -4.319) 14.000 14.145 ( -6.464 6.270 7.820) 11.927 14.363 ( -9.595 -14.474 7.460) 18.900 14.804 ( -12.528 8.448 -3.394) 15.486 15.005 ( -12.794 -10.821 -2.727) 16.977 16.105 ( 0.135 5.076 -7.676) 9.204 16.189 ( 4.623 0.563 -1.794) 4.991 16.467 ( 19.918 10.384 0.495) 22.468 16.770 ( 20.359 -14.363 3.911) 25.221 17.236 ( 0.980 0.210 1.874) 2.125 17.272 ( -0.518 -2.996 1.989) 3.633 18.437 ( -5.293 3.873 -7.319) 9.828 18.533 ( -6.301 -4.909 -6.310) 10.179 18.727 ( -7.729 5.352 4.747) 10.531 18.859 ( -3.142 -7.148 5.020) 9.283 20.367 ( 1.369 20.799 1.210) 20.880 20.813 ( 5.420 -22.131 2.629) 22.936 23.124 ( -1.685 13.532 -0.431) 13.644 23.394 ( 0.447 -12.400 -0.450) 12.417 25.286 ( -0.846 4.396 0.400) 4.494 25.385 ( 0.659 -4.986 -0.140) 5.031 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 1.856 5.570 -6.153) 8.504 1.946 ( -1.555 4.627 4.386) 6.563 2.094 ( 4.523 2.562 1.737) 5.481 2.167 ( -3.020 -3.608 3.222) 5.703 2.392 ( 2.215 3.260 -2.717) 4.787 2.448 ( -3.264 -1.222 0.702) 3.555 2.759 ( -0.115 3.726 -0.408) 3.750 2.957 ( 0.741 -10.774 -0.198) 10.802 3.045 ( 2.260 0.849 -5.590) 6.089 3.103 ( -1.420 -2.846 -1.493) 3.513 3.236 ( -2.274 2.543 3.216) 4.689 3.307 ( -0.276 -4.492 0.530) 4.531 3.687 ( 12.497 4.195 -1.043) 13.223 3.805 ( 4.360 -7.685 -1.747) 9.006 4.123 ( -8.566 11.439 0.117) 14.292 4.249 ( -1.640 2.196 -0.296) 2.756 4.638 ( -2.592 6.073 0.694) 6.640 4.713 ( 2.747 -4.019 2.488) 5.467 5.252 ( 3.747 -0.649 -0.103) 3.804 5.314 ( 5.585 -6.069 1.460) 8.375 5.499 ( 0.038 2.455 -1.449) 2.851 5.525 ( -1.762 -0.299 -0.300) 1.813 6.142 ( -0.628 4.628 0.182) 4.674 6.184 ( -0.369 0.595 0.088) 0.705 6.867 ( 1.928 2.707 3.663) 4.946 6.896 ( 0.168 0.456 -0.664) 0.823 7.200 ( 15.089 5.795 0.850) 16.186 7.312 ( 11.996 -4.777 -0.733) 12.933 7.615 ( -10.936 6.260 -1.060) 12.646 7.746 ( -13.948 -4.920 -0.660) 14.805 8.020 ( 0.723 2.831 2.212) 3.665 8.141 ( -6.740 -7.969 -3.525) 11.016 8.864 ( 1.087 8.848 -1.842) 9.102 9.036 ( 2.044 -2.858 -1.443) 3.798 9.238 ( -1.142 -1.402 4.690) 5.026 9.267 ( -2.162 -2.333 -1.561) 3.543 9.537 ( 2.286 0.302 -2.348) 3.291 9.589 ( -0.383 -5.234 -0.640) 5.287 9.976 ( 1.157 15.078 1.772) 15.226 10.161 ( 4.130 -2.786 2.875) 5.752 10.450 ( 2.698 2.978 -4.395) 5.955 10.559 ( 0.133 -7.344 -3.998) 8.363 11.263 ( -0.662 11.533 5.120) 12.636 11.475 ( -1.486 -8.408 4.284) 9.552 11.641 ( 0.638 8.019 2.636) 8.465 11.762 ( -4.655 -2.163 1.129) 5.256 12.071 ( 0.385 6.841 -2.097) 7.166 12.194 ( 1.997 -6.939 -0.675) 7.252 12.409 ( -8.197 1.951 -2.391) 8.759 12.488 ( -10.344 -4.900 -1.904) 11.603 13.609 ( 10.630 5.842 1.793) 12.261 13.697 ( 7.375 -2.735 -2.702) 8.317 14.066 ( -4.347 5.372 2.405) 7.317 14.240 ( -5.487 -11.491 3.356) 13.169 14.650 ( -2.371 3.417 0.046) 4.159 14.776 ( -8.007 -8.851 -2.435) 12.181 16.080 ( -0.558 6.639 -3.171) 7.379 16.223 ( 0.662 -6.523 -1.586) 6.745 16.792 ( 10.496 14.842 0.701) 18.192 17.064 ( 7.974 -6.977 2.134) 10.808 17.264 ( 1.617 -3.744 -3.076) 5.108 17.273 ( -0.180 -2.915 4.869) 5.678 18.313 ( -4.281 1.693 -3.414) 5.732 18.405 ( -4.430 -6.403 -2.266) 8.109 18.633 ( -2.786 8.935 1.908) 9.552 18.826 ( -1.166 -9.411 1.445) 9.592 20.393 ( 0.785 23.024 0.630) 23.046 20.890 ( 1.903 -24.577 1.030) 24.672 23.099 ( -0.720 15.026 -0.199) 15.045 23.398 ( 0.119 -13.677 -0.201) 13.679 25.276 ( -0.304 5.387 0.163) 5.398 25.394 ( 0.262 -5.798 -0.043) 5.805 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 16.604 0.000 26.507) 31.278 0.618 ( -1.507 0.000 32.381) 32.416 1.201 ( -2.784 0.000 60.241) 60.305 1.642 ( -4.315 0.000 -2.509) 4.992 2.000 ( -9.607 0.000 22.928) 24.859 2.208 ( 3.018 0.000 3.352) 4.510 2.790 ( -3.084 0.000 -6.672) 7.351 2.833 ( 0.630 0.000 0.269) 0.685 3.302 ( -8.621 0.000 -0.624) 8.643 3.352 ( 4.709 0.000 -3.219) 5.704 3.439 ( 0.409 0.000 -3.152) 3.178 3.707 ( -3.188 0.000 -2.830) 4.263 3.940 ( 2.621 0.000 5.274) 5.889 4.021 ( 17.490 0.000 9.160) 19.744 4.307 ( 5.449 0.000 10.445) 11.781 4.437 ( -5.531 0.000 -6.136) 8.261 4.545 ( -2.361 0.000 -0.269) 2.377 4.615 ( -4.995 0.000 -6.247) 7.998 4.814 ( -0.408 0.000 -0.585) 0.713 5.118 ( 0.822 0.000 -5.618) 5.678 5.350 ( -9.524 0.000 12.653) 15.837 5.385 ( -0.519 0.000 -2.176) 2.237 5.409 ( 6.727 0.000 -4.851) 8.294 5.823 ( 3.429 0.000 -8.214) 8.901 6.556 ( 2.976 0.000 -7.261) 7.847 6.656 ( 0.308 0.000 -0.210) 0.373 7.045 ( 25.407 0.000 7.040) 26.364 7.438 ( 0.810 0.000 2.441) 2.572 7.914 ( -4.438 0.000 0.806) 4.511 8.004 ( 3.731 0.000 -2.429) 4.452 8.115 ( 18.963 0.000 -2.096) 19.078 8.169 ( -2.318 0.000 0.418) 2.356 8.465 ( -7.201 0.000 -0.912) 7.258 8.584 ( 1.118 0.000 -4.376) 4.516 8.999 ( 2.458 0.000 3.691) 4.434 9.341 ( -0.481 0.000 15.206) 15.214 9.680 ( -0.559 0.000 -1.475) 1.578 9.762 ( 1.964 0.000 -0.178) 1.972 9.790 ( 1.450 0.000 3.268) 3.575 9.931 ( -2.070 0.000 -2.563) 3.294 10.637 ( 8.912 0.000 -8.913) 12.604 10.947 ( -17.293 0.000 3.285) 17.602 11.173 ( 8.817 0.000 -14.973) 17.376 11.381 ( -19.337 0.000 0.318) 19.340 11.676 ( -12.926 0.000 4.525) 13.695 11.692 ( -6.213 0.000 9.592) 11.428 11.923 ( -1.775 0.000 -0.853) 1.970 12.156 ( 5.710 0.000 -0.924) 5.785 12.856 ( -65.393 0.000 6.545) 65.720 12.970 ( 11.589 0.000 -1.583) 11.697 13.190 ( -7.614 0.000 1.399) 7.741 13.311 ( -0.333 0.000 -0.018) 0.334 13.927 ( 1.380 0.000 -3.502) 3.764 14.134 ( -10.396 0.000 -6.500) 12.261 15.010 ( 10.393 0.000 7.790) 12.988 15.174 ( 23.467 0.000 1.867) 23.541 15.923 ( 5.259 0.000 0.202) 5.263 16.229 ( 11.489 0.000 7.563) 13.755 16.587 ( -5.508 0.000 -8.818) 10.397 17.051 ( 4.721 0.000 -0.277) 4.729 17.532 ( -4.883 0.000 6.519) 8.145 18.014 ( -0.454 0.000 2.872) 2.907 18.308 ( 3.669 0.000 -0.115) 3.671 18.664 ( -1.404 0.000 -6.356) 6.510 18.946 ( -3.418 0.000 7.338) 8.095 19.342 ( 2.928 0.000 9.244) 9.697 19.865 ( -23.404 0.000 -5.169) 23.968 21.785 ( 22.238 0.000 -30.993) 38.146 23.015 ( 21.642 0.000 28.337) 35.656 23.866 ( -3.763 0.000 4.012) 5.500 24.997 ( 3.011 0.000 -9.781) 10.234 25.438 ( 1.016 0.000 -10.997) 11.044 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -3.365 0.000 28.022) 28.223 1.006 ( 16.498 0.000 27.466) 32.040 1.536 ( 19.229 0.000 33.539) 38.661 1.649 ( 5.112 0.000 -2.272) 5.594 1.948 ( 0.206 0.000 28.209) 28.210 2.283 ( 3.605 0.000 4.833) 6.030 2.730 ( 0.283 0.000 -4.507) 4.516 2.848 ( 1.185 0.000 -0.155) 1.195 3.188 ( -4.398 0.000 9.069) 10.079 3.414 ( -2.754 0.000 -1.346) 3.065 3.484 ( 7.390 0.000 -4.142) 8.471 3.650 ( -2.114 0.000 -6.727) 7.051 3.974 ( -3.611 0.000 8.652) 9.375 4.071 ( -1.508 0.000 5.032) 5.254 4.283 ( -6.878 0.000 -8.605) 11.016 4.411 ( -7.305 0.000 -3.958) 8.308 4.428 ( -10.348 0.000 -6.717) 12.337 4.603 ( 10.766 0.000 -2.425) 11.036 4.917 ( 7.438 0.000 -0.331) 7.446 5.123 ( 2.274 0.000 -7.004) 7.364 5.220 ( -8.810 0.000 17.898) 19.949 5.358 ( 1.082 0.000 -1.257) 1.658 5.579 ( 8.216 0.000 -5.032) 9.634 5.888 ( 5.202 0.000 -4.634) 6.966 6.545 ( -0.858 0.000 -2.607) 2.745 6.730 ( 7.396 0.000 -0.611) 7.422 7.216 ( -5.348 0.000 10.109) 11.437 7.489 ( 2.925 0.000 3.782) 4.781 7.792 ( -7.300 0.000 -4.429) 8.539 7.985 ( -5.548 0.000 -0.287) 5.556 8.137 ( -0.373 0.000 -1.047) 1.112 8.270 ( -6.859 0.000 4.818) 8.382 8.468 ( 12.772 0.000 -16.811) 21.112 8.572 ( -0.935 0.000 -4.696) 4.788 8.994 ( -9.776 0.000 12.672) 16.005 9.292 ( -3.049 0.000 6.093) 6.813 9.589 ( -6.688 0.000 -2.823) 7.259 9.832 ( 4.629 0.000 -3.262) 5.663 9.900 ( -24.550 0.000 42.923) 49.448 9.936 ( 3.210 0.000 2.366) 3.988 9.944 ( 0.997 0.000 7.468) 7.535 10.630 ( -3.748 0.000 -7.249) 8.161 11.143 ( -10.070 0.000 -11.021) 14.929 11.399 ( -0.390 0.000 4.986) 5.001 11.471 ( -4.850 0.000 -5.628) 7.429 11.577 ( -3.065 0.000 5.372) 6.185 11.926 ( 1.183 0.000 0.055) 1.184 12.345 ( 12.425 0.000 1.602) 12.528 12.864 ( 15.454 0.000 -9.911) 18.359 13.028 ( -8.100 0.000 2.655) 8.523 13.234 ( 13.249 0.000 0.694) 13.267 13.381 ( 7.290 0.000 0.515) 7.308 13.875 ( -10.469 0.000 -6.550) 12.349 14.008 ( 7.817 0.000 -2.456) 8.194 15.324 ( -2.311 0.000 -0.966) 2.504 15.337 ( 18.582 0.000 9.126) 20.702 16.077 ( 4.687 0.000 9.121) 10.254 16.371 ( -12.337 0.000 -11.089) 16.588 16.445 ( 9.930 0.000 -19.363) 21.761 17.092 ( -1.571 0.000 -1.608) 2.248 17.448 ( -5.100 0.000 2.578) 5.714 18.025 ( 1.178 0.000 2.316) 2.599 18.406 ( 2.229 0.000 6.064) 6.461 18.632 ( 0.626 0.000 -5.901) 5.934 18.856 ( -7.699 0.000 5.797) 9.637 19.236 ( -28.726 0.000 22.153) 36.276 19.475 ( 6.366 0.000 11.343) 13.007 21.923 ( 5.895 0.000 -27.219) 27.850 22.850 ( -22.662 0.000 31.908) 39.137 24.019 ( 6.942 0.000 -2.465) 7.367 25.010 ( 1.235 0.000 -8.803) 8.890 25.430 ( 1.851 0.000 -11.777) 11.922 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -2.100 0.000 21.331) 21.434 1.305 ( 7.454 0.000 24.531) 25.639 1.769 ( 6.026 0.000 2.932) 6.701 1.781 ( 3.057 0.000 13.412) 13.756 2.328 ( 20.887 0.000 29.654) 36.272 2.391 ( 7.097 0.000 2.500) 7.524 2.785 ( 8.334 0.000 -2.261) 8.635 2.864 ( -0.157 0.000 -0.779) 0.795 3.146 ( -3.066 0.000 8.202) 8.756 3.306 ( -8.615 0.000 1.087) 8.684 3.549 ( -3.916 0.000 -8.879) 9.704 3.604 ( 2.598 0.000 1.436) 2.969 3.846 ( -11.983 0.000 4.838) 12.923 4.035 ( -5.174 0.000 1.673) 5.438 4.179 ( -0.721 0.000 -6.479) 6.519 4.269 ( -1.892 0.000 -0.364) 1.926 4.318 ( -0.567 0.000 -6.054) 6.080 4.699 ( 1.405 0.000 1.601) 2.130 5.011 ( 3.405 0.000 -4.208) 5.413 5.137 ( -4.941 0.000 15.419) 16.192 5.180 ( 4.478 0.000 -4.123) 6.087 5.396 ( 2.588 0.000 -1.254) 2.876 5.665 ( 2.981 0.000 -6.828) 7.450 5.969 ( 4.044 0.000 -3.936) 5.643 6.536 ( -0.042 0.000 3.941) 3.941 6.911 ( 11.013 0.000 -1.049) 11.063 7.062 ( -13.311 0.000 14.206) 19.468 7.529 ( -1.705 0.000 5.321) 5.588 7.639 ( -6.176 0.000 -6.273) 8.803 7.858 ( -5.141 0.000 -2.019) 5.523 8.122 ( -1.480 0.000 -0.468) 1.552 8.188 ( -2.803 0.000 8.614) 9.058 8.534 ( -1.094 0.000 -4.903) 5.023 8.632 ( 8.627 0.000 -16.371) 18.506 8.826 ( -7.970 0.000 12.797) 15.076 9.355 ( 5.568 0.000 0.696) 5.612 9.464 ( -4.471 0.000 -4.056) 6.037 9.689 ( -6.773 0.000 18.436) 19.640 9.895 ( 3.075 0.000 -5.363) 6.182 10.051 ( 6.412 0.000 6.376) 9.042 10.137 ( 3.136 0.000 4.511) 5.494 10.551 ( 0.497 0.000 0.180) 0.528 10.811 ( -17.802 0.000 -8.704) 19.816 11.300 ( -8.546 0.000 10.717) 13.707 11.448 ( 3.364 0.000 -11.935) 12.400 11.641 ( 5.147 0.000 2.206) 5.600 11.937 ( -0.668 0.000 3.855) 3.912 12.570 ( 9.233 0.000 1.581) 9.367 12.881 ( -6.606 0.000 -3.920) 7.682 13.002 ( 4.262 0.000 -8.317) 9.345 13.374 ( -1.550 0.000 6.598) 6.778 13.561 ( 10.063 0.000 0.068) 10.063 13.860 ( 11.063 0.000 -1.933) 11.231 14.194 ( 12.071 0.000 -2.216) 12.273 15.200 ( -10.467 0.000 4.361) 11.339 15.695 ( 13.207 0.000 7.622) 15.249 16.078 ( -6.752 0.000 6.833) 9.606 16.137 ( -4.634 0.000 -11.585) 12.478 16.561 ( 10.271 0.000 -15.398) 18.510 16.955 ( -11.826 0.000 -4.598) 12.688 17.360 ( -4.145 0.000 -2.843) 5.026 18.091 ( 5.476 0.000 1.584) 5.700 18.357 ( -9.575 0.000 20.243) 22.393 18.640 ( -1.207 0.000 0.981) 1.556 18.711 ( -6.437 0.000 0.741) 6.480 19.024 ( -2.959 0.000 9.528) 9.977 19.611 ( 3.744 0.000 10.953) 11.575 21.923 ( 2.485 0.000 -22.886) 23.021 22.606 ( -12.990 0.000 26.539) 29.548 24.089 ( 2.128 0.000 -0.589) 2.208 24.992 ( -0.146 0.000 -9.407) 9.408 25.437 ( 2.588 0.000 -11.950) 12.227 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -1.640 0.000 18.230) 18.303 1.418 ( -1.948 0.000 16.776) 16.889 1.866 ( 2.325 0.000 8.166) 8.490 1.907 ( 4.510 0.000 23.336) 23.768 2.544 ( -1.380 0.000 0.822) 1.606 2.549 ( 7.409 0.000 -1.671) 7.595 2.819 ( -3.865 0.000 -3.955) 5.531 3.106 ( -4.976 0.000 7.542) 9.036 3.122 ( 19.609 0.000 12.510) 23.259 3.138 ( -7.281 0.000 3.378) 8.026 3.339 ( -14.448 0.000 -5.617) 15.501 3.579 ( -7.025 0.000 -5.393) 8.856 3.691 ( 0.657 0.000 5.982) 6.018 3.986 ( -0.151 0.000 2.675) 2.679 4.216 ( 5.303 0.000 -3.057) 6.121 4.271 ( -0.194 0.000 1.569) 1.581 4.336 ( 3.125 0.000 -2.969) 4.310 4.728 ( 0.697 0.000 7.490) 7.523 5.055 ( 3.263 0.000 -7.057) 7.775 5.133 ( 0.224 0.000 13.949) 13.951 5.216 ( -0.092 0.000 -2.024) 2.026 5.425 ( 0.273 0.000 -1.221) 1.252 5.674 ( 1.063 0.000 -8.697) 8.762 5.997 ( 0.140 0.000 -6.745) 6.747 6.562 ( 0.517 0.000 7.009) 7.028 6.812 ( -15.499 0.000 5.697) 16.513 7.100 ( 7.833 0.000 -0.898) 7.884 7.437 ( -7.556 0.000 4.727) 8.913 7.556 ( -0.796 0.000 -2.199) 2.339 7.828 ( 1.617 0.000 -3.066) 3.466 8.082 ( -2.092 0.000 0.287) 2.111 8.191 ( 0.105 0.000 4.751) 4.752 8.508 ( -0.217 0.000 -5.185) 5.189 8.636 ( -3.040 0.000 -4.808) 5.689 8.829 ( 3.481 0.000 5.699) 6.677 9.414 ( 0.390 0.000 -3.357) 3.380 9.462 ( 5.175 0.000 0.069) 5.175 9.630 ( -4.762 0.000 2.972) 5.613 9.909 ( 0.239 0.000 -6.597) 6.602 10.055 ( -6.989 0.000 -3.717) 7.916 10.161 ( 1.579 0.000 5.237) 5.470 10.527 ( -6.684 0.000 -8.563) 10.863 10.685 ( 7.587 0.000 14.072) 15.987 11.190 ( -5.700 0.000 8.535) 10.264 11.507 ( 6.213 0.000 -10.417) 12.129 11.745 ( 4.506 0.000 5.612) 7.197 11.934 ( -0.991 0.000 7.381) 7.447 12.644 ( -3.257 0.000 2.709) 4.236 12.809 ( 2.892 0.000 -10.649) 11.035 13.043 ( 3.014 0.000 -4.576) 5.479 13.332 ( -3.362 0.000 8.412) 9.059 13.735 ( 7.585 0.000 2.974) 8.147 14.087 ( 8.509 0.000 2.168) 8.781 14.434 ( 13.701 0.000 -3.521) 14.147 14.959 ( -16.620 0.000 7.832) 18.373 15.735 ( -4.442 0.000 -2.667) 5.182 15.948 ( -5.621 0.000 -1.955) 5.952 16.293 ( 17.359 0.000 -4.181) 17.856 16.653 ( -16.009 0.000 -5.192) 16.829 16.759 ( 12.821 0.000 -0.708) 12.841 17.270 ( -3.845 0.000 -7.267) 8.221 18.234 ( 8.177 0.000 2.048) 8.430 18.254 ( -7.444 0.000 23.984) 25.113 18.496 ( -10.299 0.000 4.927) 11.416 18.714 ( 2.821 0.000 -1.429) 3.162 19.017 ( -1.611 0.000 1.383) 2.123 19.666 ( -1.208 0.000 8.989) 9.070 21.885 ( 0.595 0.000 -21.751) 21.759 22.486 ( -7.604 0.000 20.656) 22.011 24.115 ( 0.769 0.000 0.295) 0.824 24.957 ( -0.032 0.000 -11.010) 11.010 25.453 ( 2.591 0.000 -11.479) 11.768 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -5.444 0.000 19.321) 20.074 1.357 ( -9.641 0.000 18.221) 20.614 1.912 ( -0.102 0.000 9.727) 9.727 2.045 ( 0.777 0.000 27.782) 27.793 2.353 ( -20.256 0.000 -1.904) 20.345 2.527 ( -10.078 0.000 -2.205) 10.316 2.756 ( 0.916 0.000 -8.369) 8.419 2.875 ( -15.234 0.000 4.751) 15.958 3.141 ( 5.962 0.000 4.416) 7.419 3.152 ( -0.305 0.000 -9.931) 9.936 3.383 ( -0.120 0.000 3.005) 3.007 3.591 ( 8.830 0.000 2.594) 9.203 3.741 ( 2.189 0.000 5.485) 5.905 4.050 ( 6.334 0.000 3.463) 7.219 4.256 ( -1.910 0.000 2.682) 3.293 4.315 ( 4.112 0.000 1.655) 4.433 4.405 ( 4.658 0.000 0.109) 4.659 4.747 ( -1.976 0.000 9.511) 9.715 5.072 ( -0.108 0.000 -7.447) 7.447 5.190 ( -1.080 0.000 -1.494) 1.844 5.238 ( 5.961 0.000 15.455) 16.565 5.391 ( -2.960 0.000 -2.618) 3.952 5.667 ( 0.913 0.000 -9.626) 9.669 5.930 ( -4.015 0.000 -9.758) 10.552 6.478 ( -13.962 0.000 1.975) 14.101 6.639 ( -0.494 0.000 3.492) 3.527 7.113 ( -7.338 0.000 0.137) 7.340 7.401 ( 3.958 0.000 2.293) 4.574 7.588 ( 3.894 0.000 1.059) 4.035 7.829 ( -1.436 0.000 -2.929) 3.262 8.080 ( 2.291 0.000 0.164) 2.297 8.186 ( -2.639 0.000 2.854) 3.888 8.494 ( 0.868 0.000 -5.759) 5.824 8.586 ( -0.031 0.000 -2.639) 2.639 8.908 ( 2.019 0.000 7.995) 8.246 9.450 ( 3.941 0.000 -1.999) 4.419 9.468 ( -9.056 0.000 0.829) 9.094 9.562 ( 3.054 0.000 -3.697) 4.795 9.865 ( -2.674 0.000 -6.082) 6.644 9.973 ( 0.583 0.000 -7.477) 7.499 10.128 ( -3.778 0.000 0.168) 3.782 10.544 ( 8.591 0.000 -6.275) 10.639 10.815 ( -1.065 0.000 21.051) 21.078 11.164 ( 1.714 0.000 5.489) 5.751 11.613 ( 7.398 0.000 -6.962) 10.159 11.837 ( 2.392 0.000 9.326) 9.628 11.954 ( 0.048 0.000 10.763) 10.763 12.553 ( -4.307 0.000 -4.790) 6.442 12.843 ( 1.455 0.000 -8.123) 8.252 13.105 ( 4.629 0.000 -2.294) 5.167 13.308 ( -1.601 0.000 8.027) 8.185 13.869 ( 5.327 0.000 7.148) 8.914 14.144 ( -2.662 0.000 4.563) 5.282 14.617 ( -11.509 0.000 4.536) 12.371 14.704 ( 6.386 0.000 -2.236) 6.766 15.633 ( -7.206 0.000 -6.773) 9.890 15.884 ( -0.583 0.000 -2.473) 2.540 16.312 ( -6.546 0.000 -4.484) 7.935 16.683 ( 15.145 0.000 -2.280) 15.316 16.986 ( 7.664 0.000 -15.890) 17.641 17.207 ( 1.770 0.000 9.613) 9.774 18.230 ( -2.460 0.000 25.764) 25.881 18.263 ( -8.343 0.000 2.599) 8.739 18.458 ( 7.304 0.000 3.167) 7.961 18.773 ( 3.350 0.000 1.780) 3.793 18.940 ( -6.527 0.000 -1.394) 6.674 19.619 ( -6.084 0.000 6.706) 9.054 21.815 ( -1.109 0.000 -22.384) 22.411 22.429 ( -4.722 0.000 17.500) 18.126 24.121 ( -0.230 0.000 0.361) 0.428 24.933 ( 1.269 0.000 -12.263) 12.328 25.464 ( 2.044 0.000 -10.879) 11.069 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -8.543 0.000 23.580) 25.079 1.152 ( -18.435 0.000 17.116) 25.156 1.795 ( -36.168 0.000 15.699) 39.428 1.915 ( -3.191 0.000 8.384) 8.970 2.087 ( -4.769 0.000 28.503) 28.899 2.288 ( -11.282 0.000 -2.778) 11.619 2.738 ( -1.068 0.000 -2.549) 2.764 2.772 ( 2.695 0.000 -5.985) 6.564 3.148 ( 3.306 0.000 -12.238) 12.677 3.301 ( 7.884 0.000 2.087) 8.155 3.369 ( -1.294 0.000 8.222) 8.323 3.702 ( 2.367 0.000 -0.110) 2.370 3.801 ( 2.344 0.000 4.994) 5.516 4.165 ( -2.048 0.000 -6.212) 6.541 4.252 ( 4.596 0.000 8.019) 9.243 4.376 ( 2.308 0.000 3.221) 3.963 4.501 ( 4.326 0.000 1.944) 4.743 4.712 ( -3.948 0.000 8.233) 9.130 5.013 ( -3.184 0.000 -5.647) 6.483 5.165 ( -1.606 0.000 -1.940) 2.519 5.315 ( -3.302 0.000 -4.738) 5.775 5.417 ( 6.886 0.000 13.256) 14.938 5.628 ( -2.798 0.000 -9.044) 9.467 5.833 ( -1.717 0.000 -11.005) 11.138 6.237 ( -9.565 0.000 3.897) 10.328 6.655 ( -0.019 0.000 4.322) 4.322 6.916 ( -11.518 0.000 -0.198) 11.520 7.482 ( 1.045 0.000 2.318) 2.543 7.693 ( 6.115 0.000 3.402) 6.998 7.806 ( 2.427 0.000 -4.344) 4.976 8.105 ( -5.996 0.000 2.227) 6.396 8.142 ( 3.318 0.000 -0.093) 3.319 8.516 ( 2.982 0.000 -5.237) 6.026 8.616 ( 2.724 0.000 -2.867) 3.954 8.937 ( -1.390 0.000 6.741) 6.883 9.326 ( -4.272 0.000 2.797) 5.107 9.538 ( 5.444 0.000 -1.303) 5.597 9.614 ( 2.914 0.000 3.777) 4.770 9.791 ( -2.785 0.000 -3.584) 4.539 10.018 ( 6.596 0.000 -9.115) 11.251 10.062 ( -3.223 0.000 -0.565) 3.272 10.741 ( 13.712 0.000 -9.786) 16.846 10.791 ( -5.372 0.000 17.844) 18.635 11.267 ( 5.383 0.000 8.550) 10.104 11.739 ( 7.177 0.000 -2.634) 7.645 11.875 ( -2.046 0.000 11.960) 12.134 11.977 ( -2.176 0.000 12.351) 12.541 12.442 ( -6.797 0.000 -8.801) 11.120 12.794 ( -2.361 0.000 -7.412) 7.779 13.196 ( 5.149 0.000 -1.732) 5.432 13.327 ( 0.857 0.000 4.471) 4.553 13.986 ( 3.900 0.000 6.652) 7.711 14.098 ( -1.518 0.000 7.981) 8.124 14.363 ( -10.374 0.000 14.536) 17.858 14.883 ( 8.327 0.000 -12.861) 15.322 15.359 ( -17.304 0.000 -8.643) 19.343 15.896 ( 1.770 0.000 0.738) 1.918 16.361 ( 10.247 0.000 -0.339) 10.253 16.820 ( -12.644 0.000 -39.633) 41.601 16.902 ( 8.268 0.000 -4.726) 9.524 17.434 ( 9.570 0.000 20.323) 22.463 18.114 ( -6.784 0.000 1.750) 7.006 18.338 ( 4.844 0.000 23.981) 24.465 18.605 ( 6.076 0.000 1.741) 6.320 18.818 ( -2.450 0.000 12.022) 12.269 18.853 ( 3.896 0.000 4.849) 6.220 19.489 ( -8.877 0.000 5.271) 10.323 21.706 ( -3.267 0.000 -23.712) 23.936 22.409 ( -2.790 0.000 18.320) 18.531 24.106 ( -1.500 0.000 -0.557) 1.600 24.935 ( 2.837 0.000 -12.382) 12.703 25.464 ( 1.336 0.000 -10.467) 10.552 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -4.631 0.000 29.927) 30.284 0.708 ( -30.080 0.000 5.273) 30.539 1.285 ( -23.918 0.000 50.680) 56.041 1.799 ( -10.141 0.000 2.836) 10.530 2.068 ( -5.701 0.000 27.653) 28.234 2.169 ( -0.611 0.000 -0.208) 0.645 2.772 ( 4.580 0.000 -2.650) 5.291 2.810 ( 2.117 0.000 -1.685) 2.706 3.210 ( 7.470 0.000 -13.219) 15.184 3.413 ( 3.514 0.000 -1.118) 3.688 3.416 ( 2.418 0.000 17.188) 17.357 3.719 ( 0.589 0.000 2.824) 2.885 3.853 ( 0.719 0.000 0.456) 0.851 3.962 ( -13.580 0.000 -6.936) 15.249 4.324 ( -1.995 0.000 7.828) 8.079 4.446 ( 4.282 0.000 0.744) 4.346 4.549 ( -0.156 0.000 0.755) 0.771 4.673 ( -1.506 0.000 0.718) 1.668 4.919 ( -5.987 0.000 -2.773) 6.598 5.128 ( -0.790 0.000 -3.156) 3.253 5.280 ( 2.593 0.000 -4.532) 5.221 5.482 ( -4.124 0.000 1.319) 4.330 5.512 ( -5.955 0.000 -7.492) 9.570 5.805 ( 1.534 0.000 -10.282) 10.395 6.292 ( 14.663 0.000 23.312) 27.540 6.677 ( 2.277 0.000 7.588) 7.922 6.726 ( -7.461 0.000 -0.266) 7.465 7.453 ( -2.735 0.000 1.763) 3.254 7.839 ( 7.906 0.000 7.421) 10.843 7.901 ( 7.201 0.000 -3.996) 8.236 8.004 ( -4.798 0.000 3.039) 5.679 8.185 ( 0.809 0.000 0.389) 0.898 8.559 ( 2.750 0.000 -4.563) 5.327 8.597 ( -4.363 0.000 -5.027) 6.656 8.944 ( 1.813 0.000 2.916) 3.434 9.306 ( -1.269 0.000 11.116) 11.189 9.631 ( 4.465 0.000 -1.504) 4.712 9.731 ( 5.890 0.000 6.041) 8.437 9.758 ( -0.245 0.000 -1.044) 1.073 9.995 ( -3.528 0.000 -1.211) 3.730 10.223 ( 21.155 0.000 -0.261) 21.157 10.788 ( 1.895 0.000 11.309) 11.467 10.979 ( 14.494 0.000 -13.483) 19.796 11.392 ( 4.801 0.000 11.389) 12.359 11.822 ( -7.604 0.000 12.750) 14.846 11.827 ( -1.490 0.000 4.582) 4.818 11.943 ( -2.186 0.000 6.989) 7.323 12.224 ( -10.506 0.000 -9.144) 13.928 12.806 ( 6.109 0.000 -5.441) 8.180 13.268 ( 2.626 0.000 -2.225) 3.442 13.309 ( -4.547 0.000 2.437) 5.159 13.969 ( -4.050 0.000 -4.041) 5.721 14.172 ( 5.027 0.000 4.746) 6.914 14.442 ( -1.505 0.000 -1.721) 2.286 14.764 ( -14.542 0.000 -17.477) 22.735 15.028 ( -12.488 0.000 -3.501) 12.969 15.941 ( 1.069 0.000 2.898) 3.089 16.302 ( -24.376 0.000 -28.932) 37.832 16.570 ( 8.964 0.000 -2.548) 9.319 16.982 ( 2.921 0.000 -3.956) 4.917 17.566 ( -0.344 0.000 11.108) 11.114 18.031 ( -2.615 0.000 1.965) 3.271 18.339 ( -5.464 0.000 -2.737) 6.111 18.682 ( 1.723 0.000 -1.823) 2.508 18.933 ( 2.063 0.000 6.896) 7.198 19.341 ( 47.677 0.000 47.427) 67.249 19.351 ( -6.087 0.000 6.036) 8.572 21.563 ( -1.954 0.000 -19.593) 19.690 22.476 ( 5.523 0.000 31.697) 32.175 24.043 ( -5.653 0.000 -2.918) 6.361 24.963 ( 3.646 0.000 -11.356) 11.926 25.453 ( 0.865 0.000 -10.448) 10.484 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 10.735 11.524 19.686) 25.210 0.970 ( -1.086 23.117 19.992) 30.582 1.606 ( -7.834 29.748 35.775) 47.183 1.812 ( 2.547 17.558 3.037) 18.000 1.957 ( -7.198 -0.951 19.778) 21.068 2.235 ( 1.788 2.109 3.647) 4.577 2.724 ( 0.520 -2.577 -2.557) 3.667 2.854 ( -0.749 1.254 0.399) 1.514 3.240 ( 0.390 -4.111 -4.741) 6.287 3.347 ( 1.598 -0.265 3.686) 4.027 3.513 ( 1.201 5.232 -1.235) 5.508 3.621 ( -4.620 -7.049 -2.440) 8.774 3.847 ( 2.321 -8.547 4.284) 9.839 3.900 ( 5.224 -5.529 11.769) 14.013 4.154 ( 4.054 -8.282 4.216) 10.139 4.370 ( -3.307 -15.788 0.693) 16.146 4.526 ( -6.001 2.563 -3.722) 7.512 4.649 ( -6.826 -2.843 -1.180) 7.488 4.832 ( 8.210 4.565 -2.683) 9.769 5.151 ( 1.167 3.461 -4.118) 5.504 5.354 ( -5.569 3.493 6.994) 9.599 5.415 ( 4.828 0.362 3.839) 6.178 5.515 ( -0.682 8.385 -8.200) 11.748 5.859 ( 2.933 2.888 -7.317) 8.395 6.460 ( 1.880 -2.955 2.217) 4.146 6.656 ( -0.122 -0.668 -1.999) 2.111 6.852 ( 10.038 -5.240 18.480) 21.673 7.412 ( 1.570 -4.857 7.088) 8.735 7.911 ( 0.595 -3.947 4.797) 6.240 8.001 ( 0.454 6.439 -1.341) 6.593 8.221 ( 4.214 13.397 -3.104) 14.383 8.382 ( 1.951 9.161 -1.814) 9.540 8.481 ( -3.924 3.162 2.033) 5.434 8.605 ( 2.709 0.774 -5.711) 6.369 8.876 ( -4.855 -10.056 7.491) 13.446 9.320 ( -1.188 -1.510 8.431) 8.647 9.521 ( -0.334 -0.180 11.460) 11.466 9.724 ( 1.323 2.268 -1.510) 3.029 9.849 ( -2.962 -0.921 -0.778) 3.199 9.898 ( -1.220 -0.435 5.447) 5.599 10.620 ( 0.393 -3.444 -3.691) 5.063 10.815 ( 4.835 -11.449 -2.222) 12.626 11.242 ( 7.266 3.267 -8.337) 11.532 11.423 ( -9.414 1.847 1.852) 9.771 11.627 ( -9.606 1.993 3.003) 10.260 11.787 ( -8.320 5.948 9.653) 14.064 11.949 ( -3.357 3.288 -0.006) 4.699 12.144 ( 4.182 -0.172 -2.082) 4.675 12.417 ( -3.089 -2.078 11.240) 11.841 13.100 ( -6.874 -1.303 -6.863) 9.801 13.289 ( -1.404 -2.446 -0.486) 2.862 13.440 ( -10.675 -3.991 -7.578) 13.686 14.160 ( -1.060 15.115 -1.696) 15.246 14.531 ( -20.196 23.810 -17.760) 35.920 14.935 ( 9.874 -5.562 7.934) 13.834 15.250 ( 18.308 6.189 -5.094) 19.986 15.868 ( 1.936 -5.648 1.265) 6.103 16.214 ( 0.204 -2.120 2.898) 3.596 16.587 ( -0.449 -1.649 -5.974) 6.213 16.938 ( 5.988 -8.865 -2.685) 11.029 17.515 ( -4.354 -3.124 6.287) 8.260 17.801 ( -1.135 -13.111 17.414) 21.827 18.305 ( 2.845 0.204 -1.028) 3.031 18.669 ( -1.966 0.587 -5.951) 6.295 18.937 ( -2.855 -0.459 6.721) 7.317 19.304 ( 2.917 -3.635 9.878) 10.923 19.902 ( -14.957 2.861 -7.901) 17.156 21.415 ( 22.370 -23.391 -10.481) 34.021 22.772 ( 3.650 -2.404 32.928) 33.217 23.836 ( -2.309 -2.927 4.185) 5.605 25.111 ( 4.449 3.739 -14.979) 16.067 25.423 ( 0.419 -1.595 -11.274) 11.394 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.117 23.379 14.224) 27.389 1.105 ( 23.563 6.637 18.817) 30.876 1.598 ( 0.954 11.494 19.171) 22.373 1.882 ( -1.793 6.262 10.539) 12.389 2.021 ( 9.547 19.327 20.057) 29.444 2.306 ( 4.354 0.777 7.397) 8.618 2.726 ( 1.648 1.007 -4.190) 4.613 2.845 ( -0.181 -0.469 0.661) 0.831 3.214 ( -2.259 0.857 4.400) 5.020 3.397 ( 0.499 -1.767 0.451) 1.891 3.495 ( -3.247 -3.058 -2.237) 4.990 3.576 ( 1.164 -1.804 -3.683) 4.263 3.866 ( -2.789 -9.423 7.534) 12.382 3.963 ( 1.197 -8.227 3.700) 9.100 4.198 ( -5.497 -8.562 -4.906) 11.296 4.312 ( -3.803 -6.727 -0.248) 7.732 4.445 ( 1.662 1.706 0.261) 2.396 4.537 ( -1.474 -2.250 -4.008) 4.827 5.020 ( 9.055 4.069 -1.764) 10.083 5.157 ( 1.039 2.039 -2.822) 3.633 5.228 ( -7.375 4.034 8.203) 11.746 5.490 ( 1.832 10.075 -2.889) 10.640 5.593 ( 7.985 0.581 -3.566) 8.764 5.905 ( 3.918 1.101 -5.281) 6.667 6.482 ( 0.951 -2.859 1.547) 3.387 6.717 ( 7.047 -0.805 -1.406) 7.231 7.057 ( 3.644 -7.872 17.093) 19.168 7.474 ( 2.081 -4.686 5.914) 7.827 7.846 ( -7.781 -0.558 -1.196) 7.892 7.951 ( -4.890 4.548 1.169) 6.779 8.284 ( 2.376 12.120 -4.098) 13.013 8.368 ( -3.479 8.608 1.075) 9.347 8.392 ( -4.493 -0.288 0.702) 4.557 8.685 ( 7.419 3.044 -10.210) 12.982 8.835 ( -2.831 -11.321 14.743) 18.802 9.328 ( 0.528 1.443 5.428) 5.641 9.505 ( -4.445 2.825 4.176) 6.722 9.649 ( -7.350 -3.265 1.823) 8.247 9.865 ( 5.240 -1.295 -4.280) 6.889 9.930 ( 1.729 0.348 17.957) 18.043 10.481 ( -11.145 7.262 -2.228) 13.487 10.721 ( -8.091 13.241 0.723) 15.534 11.054 ( -10.105 -2.927 -10.823) 15.094 11.354 ( -3.701 -3.235 3.655) 6.126 11.523 ( -2.889 4.835 -1.937) 5.956 11.669 ( -3.762 7.131 2.948) 8.584 11.947 ( 0.442 1.045 2.841) 3.059 12.268 ( 9.736 -3.113 0.860) 10.258 12.638 ( 13.627 -4.746 2.146) 14.589 13.078 ( 1.075 -9.853 -2.632) 10.255 13.182 ( 0.440 0.684 -4.768) 4.836 13.423 ( 4.029 0.326 -1.542) 4.327 14.036 ( -11.059 10.898 -5.305) 16.408 14.266 ( -0.166 19.492 -4.078) 19.915 15.294 ( 16.306 -2.250 6.595) 17.732 15.371 ( 1.723 3.523 1.486) 4.194 15.960 ( 3.521 -14.288 0.552) 14.726 16.131 ( -8.541 -8.249 -1.291) 11.944 16.564 ( 1.718 0.523 -12.954) 13.078 17.025 ( 1.963 -4.760 -2.723) 5.825 17.446 ( -4.278 -1.207 2.987) 5.356 17.842 ( -0.207 -12.081 14.792) 19.100 18.395 ( 5.447 -2.506 0.412) 6.010 18.625 ( -0.658 0.521 -4.184) 4.268 18.853 ( -7.691 -0.077 5.427) 9.413 19.327 ( -14.665 1.404 8.056) 16.791 19.518 ( -3.702 6.963 7.899) 11.161 21.737 ( 13.152 -16.365 -20.603) 29.415 22.774 ( -11.252 -1.531 29.644) 31.745 23.909 ( 5.946 -6.802 1.917) 9.236 25.089 ( -1.448 3.945 -11.132) 11.899 25.417 ( 2.592 -1.289 -12.342) 12.676 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.613 26.403 9.643) 28.115 1.450 ( 5.737 13.298 21.587) 25.995 1.756 ( 8.635 0.737 9.572) 12.912 1.935 ( 4.381 6.621 10.861) 13.453 2.250 ( 8.630 2.173 9.690) 13.156 2.463 ( 7.712 2.803 9.649) 12.666 2.763 ( 2.393 -1.385 -5.418) 6.082 2.882 ( 5.782 1.438 5.001) 7.779 3.168 ( -4.862 -0.136 5.804) 7.572 3.326 ( -6.302 3.386 1.868) 7.394 3.434 ( -3.424 -9.347 -6.251) 11.755 3.593 ( 1.446 -1.729 2.203) 3.152 3.792 ( -7.464 -5.240 7.422) 11.758 3.965 ( -3.526 -3.406 -0.531) 4.931 4.100 ( -1.138 -6.020 -2.471) 6.606 4.227 ( -2.513 -5.467 -2.494) 6.514 4.417 ( 0.510 7.412 -2.151) 7.735 4.649 ( 7.928 -2.718 0.881) 8.427 5.043 ( -4.305 1.908 5.713) 7.403 5.167 ( -1.137 5.167 -0.359) 5.303 5.240 ( 6.105 2.902 -1.031) 6.838 5.508 ( 0.798 10.057 -2.565) 10.410 5.695 ( 4.271 1.873 -6.811) 8.255 5.963 ( 3.075 -1.204 -4.110) 5.272 6.523 ( 2.269 0.226 5.248) 5.722 6.890 ( 10.504 -1.392 -0.884) 10.632 7.056 ( -8.431 -0.571 15.378) 17.547 7.523 ( -0.617 -1.634 4.446) 4.777 7.672 ( -6.534 -0.520 -4.525) 7.965 7.835 ( -6.482 3.367 0.539) 7.324 8.271 ( -1.930 7.250 2.853) 8.027 8.319 ( -2.388 12.870 1.275) 13.151 8.331 ( -1.434 -5.927 -4.754) 7.732 8.789 ( 3.583 0.373 -7.709) 8.509 8.836 ( 1.165 3.285 8.669) 9.343 9.393 ( 4.604 3.763 2.411) 6.416 9.425 ( -3.503 -0.687 -2.243) 4.216 9.552 ( -2.511 -6.021 5.515) 8.542 9.966 ( -3.545 2.246 6.340) 7.603 9.980 ( 4.552 -1.462 2.920) 5.602 10.377 ( 0.502 4.132 -3.487) 5.429 10.629 ( -2.680 15.480 0.942) 15.739 10.813 ( -9.600 0.073 -7.286) 12.053 11.264 ( -6.466 -3.016 6.838) 9.882 11.484 ( 0.278 3.532 -5.801) 6.797 11.678 ( 2.316 3.097 1.989) 4.349 11.944 ( -1.978 0.093 5.818) 6.146 12.447 ( 7.051 -8.062 1.535) 10.819 12.764 ( 0.879 -5.438 -4.917) 7.384 12.982 ( -3.196 -5.688 -3.684) 7.492 13.353 ( 3.843 -1.320 7.511) 8.540 13.574 ( 15.414 -2.445 -1.615) 15.690 13.875 ( -1.724 6.103 -4.758) 7.929 14.363 ( 8.282 10.928 -0.572) 13.724 15.208 ( -11.878 0.114 4.559) 12.723 15.671 ( 7.840 -2.410 6.451) 10.435 15.885 ( -3.914 -14.285 -10.286) 18.032 16.056 ( 2.093 -6.432 6.683) 9.509 16.607 ( 6.982 1.168 -12.299) 14.191 16.957 ( -8.029 0.669 -3.692) 8.863 17.367 ( -4.057 0.301 -2.480) 4.764 17.890 ( 1.237 -11.737 14.445) 18.653 18.467 ( -0.059 1.359 5.332) 5.503 18.608 ( -0.079 -0.496 -1.130) 1.237 18.684 ( -10.173 -1.478 3.539) 10.872 19.111 ( -5.347 5.986 4.005) 8.970 19.605 ( 3.288 0.188 10.348) 10.860 21.836 ( 5.113 -8.702 -21.171) 23.454 22.634 ( -10.564 3.258 23.894) 26.327 24.002 ( 3.248 -7.012 1.022) 7.795 25.025 ( -1.691 2.251 -9.949) 10.340 25.437 ( 3.189 -0.322 -12.515) 12.919 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.155 28.546 9.323) 30.030 1.512 ( -3.410 8.892 16.355) 18.926 1.938 ( 5.554 4.096 21.554) 22.631 2.029 ( 0.586 9.856 7.694) 12.517 2.419 ( 5.112 -9.047 0.920) 10.432 2.550 ( 1.756 0.044 -2.364) 2.945 2.740 ( -1.776 -4.312 -6.273) 7.816 3.030 ( -5.816 -1.818 3.426) 6.991 3.123 ( 5.265 -0.076 13.985) 14.943 3.279 ( 3.452 5.322 2.227) 6.723 3.312 ( -6.715 -3.912 -5.016) 9.250 3.598 ( -11.262 0.969 2.117) 11.500 3.644 ( 1.371 -1.166 2.419) 3.015 3.910 ( -0.240 -2.294 3.281) 4.010 4.123 ( 2.135 -6.560 0.356) 6.908 4.216 ( 1.427 -7.830 3.275) 8.607 4.466 ( 3.624 8.528 -2.721) 9.657 4.791 ( 5.909 3.191 3.057) 7.378 5.001 ( -2.240 -2.254 8.086) 8.688 5.135 ( -1.528 4.280 -4.242) 6.217 5.317 ( 1.964 5.162 0.858) 5.590 5.507 ( 0.278 7.768 -2.736) 8.240 5.734 ( 2.781 4.930 -8.594) 10.291 5.974 ( -0.738 -2.954 -6.269) 6.969 6.588 ( 2.010 3.046 7.664) 8.489 6.859 ( -14.414 3.806 7.469) 16.674 7.077 ( 7.782 -1.471 -0.974) 7.980 7.412 ( -7.590 -1.708 3.179) 8.404 7.637 ( 0.286 4.819 -1.263) 4.990 7.767 ( -0.590 -2.536 -0.404) 2.635 8.257 ( -1.873 -1.085 -2.797) 3.536 8.270 ( -0.987 12.882 1.718) 13.034 8.318 ( 1.388 -1.132 -0.429) 1.842 8.752 ( -4.143 4.544 1.748) 6.393 8.937 ( 5.382 7.036 0.094) 8.859 9.382 ( 0.573 -1.249 -2.834) 3.149 9.498 ( 4.548 2.819 1.746) 5.628 9.566 ( 1.286 -6.152 2.845) 6.899 9.797 ( -11.812 -1.784 -0.189) 11.947 10.051 ( 1.048 0.247 -4.971) 5.086 10.348 ( -1.249 1.024 -7.236) 7.414 10.584 ( -1.557 14.344 -2.500) 14.643 10.801 ( 5.786 8.976 10.310) 14.844 11.171 ( -5.113 -1.946 8.249) 9.898 11.509 ( 4.681 0.499 -8.662) 9.859 11.736 ( 2.434 -1.035 6.324) 6.855 11.919 ( -2.407 -1.850 7.924) 8.486 12.505 ( -1.478 -9.831 2.528) 10.258 12.732 ( 0.680 -6.422 -8.801) 10.916 12.993 ( 4.123 -5.955 -2.991) 7.836 13.345 ( -4.614 2.971 8.383) 10.020 13.819 ( 7.023 4.965 1.487) 8.728 13.980 ( 11.047 -7.003 1.321) 13.146 14.524 ( 8.678 5.789 -2.768) 10.792 14.937 ( -17.717 -2.878 6.130) 18.968 15.596 ( -5.794 -11.897 -6.257) 14.638 15.883 ( 1.798 -3.766 3.107) 5.203 16.265 ( 11.048 -4.718 -1.003) 12.055 16.640 ( -5.387 2.120 -9.052) 10.745 16.843 ( 4.988 4.857 2.579) 7.425 17.278 ( -3.927 0.644 -6.816) 7.893 17.976 ( 2.169 -12.030 17.291) 21.176 18.391 ( -8.856 2.479 7.830) 12.078 18.559 ( -2.063 4.210 2.232) 5.193 18.648 ( 3.290 -5.837 -1.131) 6.795 19.070 ( -1.639 4.268 0.151) 4.575 19.655 ( -1.269 -0.557 8.572) 8.683 21.830 ( 1.318 -5.946 -21.516) 22.362 22.533 ( -6.858 4.616 19.579) 21.253 24.045 ( 1.118 -6.149 1.186) 6.362 24.971 ( -0.534 1.169 -11.168) 11.242 25.458 ( 2.852 0.191 -11.996) 12.332 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -2.548 29.663 8.739) 31.028 1.458 ( -7.468 9.602 17.852) 21.603 1.974 ( -9.213 -0.066 5.687) 10.827 2.072 ( 0.493 4.044 25.588) 25.910 2.362 ( -8.136 4.434 -0.068) 9.266 2.501 ( -8.582 -2.378 -1.428) 9.019 2.742 ( 1.840 -0.337 -4.621) 4.986 2.921 ( -4.530 0.214 0.482) 4.560 3.144 ( -3.054 3.438 1.919) 4.983 3.181 ( -0.945 0.205 -6.646) 6.716 3.374 ( -0.419 1.324 5.941) 6.101 3.538 ( 5.532 -4.190 1.752) 7.158 3.690 ( 1.922 -4.212 3.838) 6.014 3.984 ( 6.137 -3.816 5.285) 8.953 4.152 ( -0.324 -5.688 2.646) 6.282 4.285 ( 3.462 -7.661 6.939) 10.901 4.505 ( 1.275 7.803 -1.363) 8.023 4.855 ( -1.239 7.550 4.212) 8.734 4.979 ( -3.305 -9.319 8.897) 13.301 5.113 ( 1.660 3.693 -6.898) 7.999 5.330 ( -0.791 4.403 1.024) 4.590 5.523 ( 2.610 8.926 -2.051) 9.523 5.748 ( 0.617 6.591 -7.813) 10.240 5.898 ( -3.709 -3.559 -9.834) 11.096 6.553 ( -12.707 7.327 5.798) 15.773 6.668 ( -1.483 2.421 3.416) 4.442 7.092 ( -6.832 -1.774 0.014) 7.058 7.401 ( 6.094 0.269 2.090) 6.448 7.669 ( 3.669 6.123 0.789) 7.181 7.743 ( -3.134 -5.386 0.265) 6.238 8.212 ( -0.959 -3.603 -2.347) 4.406 8.274 ( 1.320 15.600 -1.433) 15.721 8.386 ( 4.606 -0.521 1.171) 4.781 8.666 ( -4.365 5.823 -0.978) 7.343 9.011 ( 1.333 5.130 3.762) 6.500 9.419 ( 3.053 -0.639 -1.589) 3.500 9.505 ( -6.396 2.314 3.514) 7.656 9.585 ( 0.996 0.093 -1.698) 1.971 9.633 ( -1.940 -7.659 -2.566) 8.307 10.029 ( -0.647 0.453 -4.610) 4.677 10.340 ( 2.577 11.635 -11.377) 16.475 10.589 ( 4.414 5.080 -4.849) 8.295 10.905 ( -2.841 9.091 19.821) 21.991 11.157 ( 2.818 -1.425 4.278) 5.317 11.605 ( 7.366 -0.359 -5.581) 9.248 11.808 ( 2.511 -2.771 9.501) 10.211 11.913 ( -1.011 -4.644 10.329) 11.370 12.462 ( -2.144 -5.795 -1.050) 6.267 12.737 ( 0.882 -8.678 -8.149) 11.937 13.080 ( 5.397 -4.475 -3.730) 7.942 13.273 ( -4.603 -0.625 9.279) 10.376 13.900 ( -0.559 1.335 4.421) 4.652 14.136 ( 5.242 -0.418 8.017) 9.588 14.589 ( -14.704 -2.925 0.782) 15.012 14.717 ( 8.809 0.586 -3.781) 9.604 15.526 ( -0.714 -8.463 -5.888) 10.334 15.940 ( -1.428 3.477 -0.570) 3.802 16.180 ( -7.918 -9.546 -1.058) 12.448 16.693 ( 9.509 0.892 -4.884) 10.727 17.006 ( 5.409 0.851 -11.160) 12.431 17.216 ( 1.783 0.830 8.681) 8.901 18.016 ( -5.912 -11.151 20.802) 24.332 18.295 ( 0.070 0.843 1.640) 1.845 18.578 ( 2.244 4.398 2.287) 5.442 18.716 ( 3.641 -4.982 2.435) 6.634 19.027 ( -2.098 7.175 -0.957) 7.536 19.607 ( -5.956 -0.554 6.449) 8.796 21.761 ( -1.703 -5.882 -22.869) 23.674 22.489 ( -3.738 5.837 17.384) 18.715 24.054 ( -0.644 -6.008 1.430) 6.209 24.943 ( 1.501 1.032 -12.500) 12.632 25.470 ( 2.070 0.209 -11.435) 11.623 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -6.359 27.685 9.477) 29.945 1.295 ( -17.041 12.181 8.619) 22.651 1.728 ( -16.626 2.227 19.128) 25.442 2.098 ( -5.686 2.722 26.126) 26.875 2.195 ( -11.197 18.151 6.007) 22.157 2.294 ( -9.393 -0.599 -0.422) 9.421 2.712 ( -1.659 0.562 -3.432) 3.853 2.866 ( -0.444 4.681 -3.205) 5.690 3.145 ( 2.576 -0.049 -11.254) 11.545 3.222 ( 6.047 -3.407 0.252) 6.945 3.427 ( 3.072 3.491 9.128) 10.244 3.621 ( 2.769 -6.997 0.170) 7.527 3.739 ( 1.754 -5.715 4.673) 7.587 4.093 ( -5.076 -11.456 4.929) 13.465 4.120 ( 3.198 -3.918 -2.328) 5.568 4.347 ( 0.220 -5.978 6.707) 8.987 4.541 ( 3.172 3.961 2.281) 5.564 4.793 ( -4.583 6.933 0.991) 8.369 4.924 ( -5.164 -9.619 7.265) 13.114 5.134 ( 1.736 3.216 -5.990) 7.017 5.304 ( -1.404 2.290 -0.368) 2.712 5.567 ( 0.112 6.823 -1.823) 7.063 5.679 ( -3.804 3.014 -6.487) 8.102 5.838 ( 0.520 1.909 -10.635) 10.818 6.355 ( -7.118 10.404 7.484) 14.661 6.668 ( -0.953 1.364 4.972) 5.243 6.911 ( -10.541 -0.684 -0.287) 10.567 7.506 ( -0.945 1.141 3.091) 3.428 7.695 ( 2.543 -3.868 0.525) 4.659 7.779 ( 7.081 4.083 0.923) 8.226 8.201 ( -0.367 1.905 -0.979) 2.173 8.310 ( 2.592 14.043 -1.610) 14.371 8.457 ( 2.258 1.275 -0.570) 2.655 8.623 ( 0.799 0.867 -2.620) 2.873 8.994 ( -3.951 1.824 4.141) 6.007 9.378 ( -3.784 4.335 0.740) 5.802 9.494 ( 1.934 -3.042 1.098) 3.768 9.620 ( 1.696 -4.216 2.835) 5.356 9.639 ( 3.720 0.072 1.853) 4.157 9.995 ( -1.787 2.320 -2.427) 3.803 10.372 ( 4.822 13.685 -11.604) 18.579 10.732 ( 11.361 -0.452 -9.502) 14.817 10.844 ( -5.918 5.558 14.665) 16.762 11.264 ( 5.294 -1.121 7.031) 8.872 11.742 ( 7.592 0.771 -0.958) 7.691 11.868 ( -0.185 -0.390 10.838) 10.846 11.931 ( -1.246 -5.978 12.472) 13.887 12.398 ( -5.704 -1.038 -3.926) 7.002 12.665 ( -5.259 -9.125 -8.421) 13.485 13.163 ( 5.082 -3.584 -3.340) 7.058 13.275 ( 1.274 -3.864 8.235) 9.185 13.831 ( -5.170 -5.820 8.546) 11.560 14.282 ( -15.433 -2.419 -2.556) 15.830 14.343 ( 13.634 7.654 14.928) 21.617 14.915 ( 10.814 2.315 -10.307) 15.118 15.384 ( -15.703 3.303 -6.400) 17.276 15.810 ( -1.098 -9.283 -3.299) 9.913 16.282 ( 10.555 -4.850 6.252) 13.191 16.736 ( -6.723 -5.599 -16.163) 18.379 16.926 ( -1.083 0.532 -17.398) 17.439 17.414 ( 8.256 -2.285 19.191) 21.016 17.908 ( -9.317 -10.094 16.875) 21.759 18.364 ( 2.307 -1.005 1.618) 2.992 18.621 ( 2.730 0.722 -0.781) 2.930 18.809 ( 5.057 -2.282 6.301) 8.395 19.067 ( 8.574 13.459 6.414) 17.198 19.486 ( -7.504 1.136 5.497) 9.371 21.618 ( -6.323 -8.512 -24.594) 26.783 22.495 ( -0.979 8.000 18.122) 19.834 24.025 ( -3.007 -6.659 1.586) 7.476 24.958 ( 4.246 1.825 -13.131) 13.920 25.468 ( 1.245 -0.131 -11.088) 11.159 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -27.533 10.935 1.993) 29.692 0.977 ( -5.680 24.881 16.066) 30.157 1.601 ( -6.828 28.727 39.689) 49.468 1.946 ( -13.333 10.343 0.562) 16.884 2.040 ( -7.749 0.300 23.292) 24.549 2.216 ( -0.949 4.962 1.943) 5.412 2.702 ( 1.462 -2.725 -2.124) 3.752 2.863 ( 0.206 3.243 -1.456) 3.561 3.187 ( 5.493 -2.149 -12.134) 13.492 3.329 ( 2.516 -3.846 7.592) 8.875 3.495 ( 1.073 5.667 4.910) 7.574 3.665 ( 1.681 -6.005 0.989) 6.314 3.779 ( 1.158 -6.919 2.068) 7.313 3.914 ( -10.062 -2.595 0.458) 10.402 4.147 ( -1.170 -12.932 1.982) 13.135 4.365 ( 0.884 -11.819 4.430) 12.653 4.594 ( -0.130 2.149 1.674) 2.728 4.730 ( -1.204 6.520 -3.174) 7.351 4.828 ( -6.403 -7.014 4.661) 10.579 5.140 ( 1.010 3.508 -4.292) 5.634 5.304 ( 2.416 1.637 -1.683) 3.369 5.479 ( -6.563 2.772 3.207) 7.813 5.604 ( -3.751 5.113 -9.404) 11.342 5.834 ( 2.067 3.354 -8.295) 9.183 6.367 ( 3.684 7.472 13.964) 16.260 6.675 ( 0.649 0.321 6.279) 6.321 6.742 ( -5.733 0.637 1.093) 5.871 7.422 ( -4.906 -3.154 5.237) 7.839 7.821 ( 6.738 -1.530 3.261) 7.640 7.923 ( 7.054 4.681 -0.265) 8.470 8.186 ( -0.190 10.666 -0.499) 10.679 8.349 ( 1.863 11.428 -1.319) 11.654 8.493 ( 1.919 -0.489 -1.439) 2.448 8.621 ( -1.285 0.686 -2.946) 3.287 8.935 ( -2.892 -2.378 2.686) 4.608 9.329 ( -2.533 2.235 6.072) 6.948 9.511 ( -1.082 -7.130 5.819) 9.267 9.665 ( 3.553 0.453 0.393) 3.603 9.786 ( 7.294 3.908 6.733) 10.668 9.954 ( -2.700 -0.855 0.278) 2.846 10.479 ( 11.118 7.580 -10.200) 16.886 10.759 ( -1.753 -2.601 4.128) 5.184 10.999 ( 15.808 3.538 -8.947) 18.506 11.384 ( 4.847 -1.307 7.878) 9.341 11.810 ( -5.855 0.072 6.849) 9.011 11.865 ( -2.113 1.206 8.580) 8.919 11.951 ( 1.584 0.193 9.548) 9.680 12.201 ( -10.159 -0.402 -7.620) 12.705 12.557 ( -5.514 -9.500 -0.769) 11.011 13.245 ( 2.727 -2.282 -2.515) 4.355 13.268 ( -4.334 -2.401 2.555) 5.575 13.775 ( -12.052 -16.618 5.080) 21.147 14.078 ( 2.163 5.693 -2.426) 6.556 14.735 ( 18.586 6.266 16.267) 25.482 14.930 ( -5.590 12.178 -20.267) 24.297 15.056 ( -11.479 3.660 -9.268) 15.201 15.853 ( 2.692 -8.308 0.822) 8.771 16.342 ( -14.377 1.592 -13.201) 19.583 16.539 ( 5.676 -2.889 -2.164) 6.727 16.894 ( 0.323 -6.733 -7.848) 10.345 17.542 ( 0.014 -3.999 11.573) 12.245 17.810 ( -5.703 -11.524 17.312) 21.564 18.320 ( -3.439 -0.971 -3.101) 4.731 18.687 ( 2.324 0.843 -2.171) 3.290 18.914 ( 2.817 -1.230 7.011) 7.655 19.281 ( -1.038 -4.316 7.692) 8.881 19.614 ( 29.622 13.880 11.817) 34.782 21.372 ( -10.405 -13.862 -20.108) 26.547 22.578 ( 3.821 8.838 24.399) 26.230 23.940 ( -6.628 -6.702 2.395) 9.726 25.028 ( 7.165 3.255 -13.889) 15.963 25.452 ( 0.490 -0.803 -11.094) 11.133 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 2.511 19.313 8.853) 21.394 1.428 ( -0.966 20.491 9.195) 22.481 1.925 ( -4.209 7.478 -0.130) 8.582 1.995 ( -4.788 3.908 15.314) 16.514 2.219 ( 1.721 5.845 12.675) 14.063 2.502 ( -0.613 19.041 2.246) 19.183 2.804 ( 3.616 15.245 5.963) 16.764 2.862 ( -2.674 1.105 0.988) 3.057 3.125 ( 1.620 -4.709 -5.669) 7.545 3.330 ( -0.155 -1.936 10.940) 11.111 3.447 ( -2.380 -8.262 -2.370) 8.919 3.604 ( -0.042 -8.855 -2.750) 9.272 3.630 ( 0.397 -3.707 2.426) 4.448 3.804 ( -1.390 -1.917 4.490) 5.077 3.946 ( 2.374 -16.207 5.815) 17.381 4.168 ( 2.357 3.425 3.710) 5.572 4.424 ( -1.772 -10.445 1.889) 10.761 4.630 ( -7.342 2.617 -1.193) 7.885 4.916 ( 5.256 2.008 -4.921) 7.475 5.248 ( -1.701 3.860 -0.085) 4.219 5.411 ( 6.211 2.036 1.280) 6.660 5.512 ( -5.836 9.431 2.867) 11.455 5.690 ( 2.169 8.066 -6.895) 10.831 5.933 ( 1.602 3.927 -6.489) 7.752 6.501 ( -1.495 4.289 0.467) 4.566 6.654 ( 0.434 0.635 -3.338) 3.425 6.819 ( 3.486 0.827 15.790) 16.191 7.278 ( -0.847 -7.474 11.822) 14.012 7.886 ( 0.741 0.504 1.824) 2.033 8.129 ( 0.498 5.613 0.759) 5.685 8.353 ( 6.339 -4.099 -2.071) 7.827 8.476 ( 1.557 0.344 -2.330) 2.823 8.576 ( -7.581 -1.217 11.260) 13.629 8.687 ( -2.302 15.470 -4.472) 16.268 8.858 ( 0.918 9.868 -6.361) 11.776 9.343 ( -0.647 2.753 3.976) 4.879 9.615 ( 1.371 5.666 7.454) 9.463 9.706 ( 3.892 -6.405 2.279) 7.834 9.815 ( -8.387 1.410 -1.496) 8.635 9.919 ( -1.019 1.456 10.006) 10.163 10.552 ( 1.471 -13.247 -4.233) 13.984 10.560 ( -0.508 -1.207 1.403) 1.919 11.262 ( 5.018 -0.652 -1.678) 5.331 11.464 ( -0.082 3.657 1.475) 3.944 11.741 ( -3.943 6.296 -0.713) 7.463 11.895 ( -1.636 3.041 5.593) 6.573 12.056 ( -6.665 7.161 4.316) 10.693 12.192 ( 6.290 5.885 -3.378) 9.253 12.489 ( 0.279 5.511 2.736) 6.159 13.071 ( -12.593 -1.402 -8.285) 15.139 13.198 ( -2.055 -6.426 -0.980) 6.818 13.307 ( 1.454 -6.088 -0.701) 6.299 14.462 ( -1.916 14.075 0.182) 14.206 14.783 ( 4.285 -1.662 8.714) 9.852 14.870 ( -5.267 4.628 -2.032) 7.300 15.403 ( 13.056 7.833 -11.254) 18.934 15.696 ( -3.597 -10.300 3.054) 11.329 16.140 ( -8.151 -4.510 0.523) 9.330 16.477 ( -0.730 -8.533 -0.000) 8.564 16.738 ( 8.686 -10.743 -6.651) 15.333 17.385 ( -1.699 -7.874 7.342) 10.899 17.605 ( -2.914 -6.263 16.704) 18.076 18.333 ( 0.946 2.558 -2.573) 3.749 18.685 ( -2.664 0.678 -6.939) 7.464 18.936 ( -1.752 0.448 5.636) 5.919 19.203 ( 3.204 -5.752 11.255) 13.039 19.975 ( -7.604 4.436 -9.139) 12.689 21.032 ( 14.596 -14.837 -9.627) 22.931 22.865 ( -0.816 8.061 17.222) 19.033 23.746 ( -1.619 -5.676 4.391) 7.357 25.144 ( 4.328 0.466 -13.731) 14.404 25.373 ( 0.505 -3.079 -12.029) 12.428 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 18.695 7.931 9.133) 22.267 1.474 ( 3.447 19.597 9.705) 22.138 1.877 ( -2.664 11.124 5.428) 12.661 1.968 ( -1.588 6.186 11.665) 13.299 2.299 ( 2.950 -0.656 6.847) 7.484 2.519 ( 1.636 14.933 2.446) 15.220 2.804 ( -2.789 2.248 -1.573) 3.912 2.901 ( 4.017 13.762 5.988) 15.537 3.132 ( -0.448 -6.310 -3.699) 7.328 3.328 ( -4.499 -4.619 11.194) 12.918 3.390 ( -1.550 -4.482 -2.507) 5.364 3.572 ( -2.138 -6.631 2.666) 7.460 3.673 ( 1.180 -3.830 7.044) 8.104 3.806 ( 1.026 -9.072 -1.275) 9.218 3.999 ( 3.451 -6.953 1.121) 7.843 4.217 ( -2.763 -0.625 1.617) 3.262 4.430 ( 1.176 -5.915 -0.105) 6.032 4.548 ( 2.535 5.844 0.697) 6.409 5.054 ( 9.048 -0.333 -1.400) 9.162 5.201 ( -2.409 2.772 0.180) 3.677 5.407 ( -4.688 10.641 -0.376) 11.634 5.543 ( 6.775 -2.187 -0.004) 7.119 5.728 ( 2.976 10.024 -5.138) 11.651 5.948 ( 1.999 3.342 -7.166) 8.156 6.505 ( 1.830 4.109 3.029) 5.422 6.718 ( 6.809 0.999 -2.136) 7.206 6.952 ( 4.331 -2.956 17.016) 17.806 7.336 ( 3.255 -7.660 8.989) 12.250 7.842 ( -6.374 1.352 -0.155) 6.518 8.058 ( -6.292 3.758 0.645) 7.357 8.367 ( -6.633 -5.878 5.150) 10.250 8.513 ( 3.554 1.639 -3.561) 5.291 8.538 ( -4.808 5.903 1.089) 7.691 8.608 ( 2.793 6.163 1.885) 7.024 8.919 ( 5.829 14.079 -5.679) 16.262 9.376 ( 2.332 3.673 4.551) 6.296 9.565 ( -7.352 -2.370 2.601) 8.151 9.615 ( -6.971 1.183 -2.786) 7.600 9.872 ( 8.560 2.332 -1.482) 8.995 9.938 ( 0.083 1.470 18.523) 18.582 10.408 ( -7.551 -9.266 -3.892) 12.570 10.699 ( 5.919 -7.455 -3.207) 10.045 11.258 ( -8.021 9.527 -1.746) 12.576 11.326 ( -8.949 4.179 4.286) 10.766 11.674 ( -2.954 9.091 -0.894) 9.601 11.835 ( -5.753 8.944 1.133) 10.694 11.952 ( -2.148 -0.402 4.915) 5.379 12.302 ( 5.382 4.364 -2.377) 7.325 12.648 ( 9.993 3.473 4.826) 11.628 12.884 ( -5.102 -6.684 -7.346) 11.166 13.136 ( 0.178 -4.523 -2.672) 5.257 13.389 ( 5.704 -2.987 -1.284) 6.566 14.242 ( -12.400 8.288 1.707) 15.012 14.599 ( -9.259 11.860 -2.738) 15.293 15.272 ( 19.056 0.248 5.522) 19.841 15.460 ( -2.155 0.750 4.476) 5.024 15.612 ( -2.055 -12.698 -5.339) 13.928 15.997 ( -8.020 -6.264 0.241) 10.180 16.473 ( 3.012 -7.545 -6.048) 10.128 16.924 ( 8.612 -5.912 -3.318) 10.960 17.378 ( -1.244 -4.986 4.466) 6.808 17.631 ( 0.168 -7.954 16.616) 18.422 18.343 ( 1.076 -1.391 -3.044) 3.515 18.636 ( -0.211 -0.239 -4.444) 4.456 18.860 ( -7.773 0.894 5.002) 9.287 19.261 ( -2.905 -5.517 8.297) 10.378 19.721 ( -8.911 11.050 -3.688) 14.667 21.363 ( 17.840 -18.334 -12.119) 28.307 22.843 ( -6.644 6.820 17.572) 19.986 23.775 ( 2.788 -6.690 3.496) 8.048 25.133 ( -1.145 0.838 -11.630) 11.716 25.376 ( 3.586 -2.693 -13.094) 13.841 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.801 10.369 6.264) 13.031 1.731 ( 17.039 10.766 13.552) 24.287 1.839 ( -2.569 9.843 6.903) 12.294 2.001 ( 0.540 4.567 11.630) 12.506 2.353 ( 1.130 0.627 2.872) 3.149 2.572 ( 3.467 7.104 -2.349) 8.247 2.744 ( -2.908 0.579 -4.748) 5.598 2.999 ( 4.118 10.309 8.664) 14.082 3.072 ( -4.005 -9.232 -1.742) 10.213 3.247 ( -4.881 -4.732 1.712) 7.011 3.389 ( 0.992 -1.840 4.092) 4.595 3.543 ( -2.667 -4.554 6.358) 8.263 3.698 ( -1.354 -1.883 8.108) 8.433 3.847 ( 3.308 -6.016 -3.221) 7.584 4.025 ( -1.584 -0.045 0.868) 1.807 4.167 ( 0.119 -2.845 1.871) 3.407 4.419 ( -2.025 -1.705 0.174) 2.653 4.701 ( 10.322 5.438 3.178) 12.092 5.125 ( -1.448 5.183 1.565) 5.605 5.262 ( 7.818 -0.456 -1.191) 7.921 5.326 ( -3.647 8.986 -1.602) 9.829 5.664 ( 6.324 -3.645 -3.738) 8.201 5.750 ( 0.841 10.039 -4.674) 11.106 5.956 ( 0.690 2.201 -7.190) 7.551 6.584 ( 4.698 5.344 5.587) 9.047 6.876 ( 9.230 0.229 0.090) 9.233 7.037 ( -1.558 -1.079 15.932) 16.044 7.443 ( 4.715 -5.846 4.797) 8.911 7.660 ( -10.279 1.009 -1.035) 10.380 7.926 ( -7.649 3.120 -0.944) 8.314 8.250 ( -6.337 -2.072 3.705) 7.627 8.380 ( -6.905 3.956 -2.266) 8.274 8.605 ( 5.003 -0.847 -2.823) 5.807 8.715 ( 4.254 7.940 6.296) 10.990 9.019 ( 6.074 13.268 -3.905) 15.106 9.410 ( -3.523 -1.572 1.851) 4.279 9.482 ( 2.716 1.915 4.650) 5.716 9.508 ( -3.462 2.538 -5.184) 6.731 9.966 ( -5.269 -0.294 13.138) 14.159 10.026 ( 7.158 3.502 -3.554) 8.726 10.280 ( -3.172 -7.770 -2.037) 8.636 10.732 ( 0.974 -5.262 -6.567) 8.471 11.101 ( -2.815 20.802 -1.632) 21.055 11.219 ( -6.148 -0.116 6.435) 8.901 11.606 ( -4.218 8.481 -0.215) 9.474 11.759 ( -2.772 4.915 1.217) 5.772 11.931 ( -3.186 -0.841 9.055) 9.636 12.377 ( 2.647 0.523 -3.793) 4.655 12.676 ( -5.984 -4.535 0.184) 7.510 12.794 ( -1.849 -9.575 -4.449) 10.718 13.324 ( 14.077 -1.188 8.166) 16.317 13.521 ( 10.155 -1.853 -2.799) 10.695 14.033 ( -9.088 7.331 -1.906) 11.831 14.538 ( 1.998 5.575 0.124) 5.923 15.136 ( -16.316 -9.423 5.160) 19.535 15.484 ( -9.588 -13.154 -4.041) 16.772 15.794 ( 8.657 4.681 1.943) 10.032 15.913 ( 10.372 -4.191 1.452) 11.280 16.563 ( 7.194 -5.010 -6.130) 10.697 16.986 ( -0.874 1.651 -2.129) 2.832 17.353 ( -2.277 -1.982 -0.409) 3.046 17.693 ( 1.061 -7.732 15.763) 17.590 18.378 ( 3.645 -5.893 -1.391) 7.067 18.625 ( -0.855 -0.905 -1.164) 1.704 18.675 ( -12.527 1.058 4.558) 13.373 19.170 ( -4.680 -1.370 0.954) 4.969 19.679 ( 0.924 8.200 4.435) 9.368 21.571 ( 8.801 -16.330 -16.094) 24.559 22.750 ( -7.638 7.794 16.484) 19.768 23.843 ( 2.806 -8.196 2.776) 9.097 25.063 ( -2.029 1.529 -11.011) 11.301 25.412 ( 4.029 -2.225 -13.190) 13.970 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 4.624 13.099 8.439) 16.254 1.761 ( -6.179 13.888 10.141) 18.273 2.010 ( -3.654 -0.317 12.926) 13.436 2.079 ( 11.461 3.025 7.335) 13.940 2.359 ( -0.774 -0.329 0.922) 1.248 2.639 ( 4.794 9.393 -4.903) 11.630 2.656 ( -4.785 -2.948 -1.210) 5.749 3.006 ( -1.529 -5.643 0.984) 5.929 3.089 ( 1.372 -2.922 -2.063) 3.831 3.193 ( -0.795 0.335 5.522) 5.589 3.428 ( 0.559 5.794 4.889) 7.602 3.504 ( -2.495 -4.734 5.966) 8.014 3.692 ( -0.755 -2.366 6.397) 6.862 3.838 ( -2.481 -4.251 -1.614) 5.180 4.085 ( 5.303 2.223 5.504) 7.960 4.138 ( -3.686 3.273 4.383) 6.596 4.412 ( 1.490 -8.349 1.589) 8.628 4.902 ( 8.362 3.337 2.757) 9.416 5.068 ( -4.996 8.878 1.157) 10.253 5.261 ( -1.841 6.758 -2.823) 7.552 5.386 ( 4.183 1.652 0.139) 4.500 5.706 ( 0.047 9.194 -5.538) 10.733 5.790 ( 4.614 -3.669 -5.863) 8.314 5.919 ( -2.016 2.920 -7.181) 8.010 6.693 ( 3.916 6.468 6.912) 10.244 6.936 ( -8.940 2.991 10.727) 14.281 7.073 ( 5.990 1.903 -0.163) 6.287 7.381 ( -7.827 -1.075 1.924) 8.131 7.654 ( 6.883 -1.629 2.993) 7.680 7.773 ( -7.567 0.056 -1.362) 7.689 8.132 ( -5.751 -3.043 -5.310) 8.398 8.328 ( 1.195 0.532 5.355) 5.512 8.658 ( 1.033 9.871 -2.596) 10.259 8.804 ( 3.518 6.123 3.780) 8.010 9.098 ( 1.160 10.300 1.545) 10.479 9.368 ( -0.193 -2.118 3.283) 3.911 9.458 ( 0.513 -0.813 -6.743) 6.811 9.577 ( 2.939 2.364 3.412) 5.086 9.801 ( -9.246 -0.098 1.311) 9.339 10.082 ( -2.598 3.490 -3.134) 5.362 10.306 ( 7.974 -1.449 -5.489) 9.788 10.791 ( 3.442 0.483 0.372) 3.496 11.046 ( -2.485 7.287 -3.936) 8.647 11.195 ( 0.638 11.370 10.916) 15.775 11.525 ( -2.231 1.356 -3.948) 4.733 11.723 ( -2.304 1.251 6.665) 7.162 11.883 ( -4.433 -0.124 9.006) 10.039 12.370 ( -1.052 -3.122 -0.837) 3.399 12.583 ( -1.773 -7.362 -4.578) 8.849 12.802 ( 3.616 -11.670 -1.168) 12.273 13.451 ( -3.743 6.573 6.877) 10.222 13.796 ( 14.959 -4.996 3.637) 16.185 13.949 ( 1.894 2.335 -0.167) 3.012 14.601 ( 3.522 1.028 -2.223) 4.290 14.813 ( -17.799 -9.080 0.915) 20.003 15.304 ( -5.880 -15.812 -3.044) 17.143 15.849 ( 5.064 1.191 2.834) 5.924 16.205 ( 7.502 1.293 1.636) 7.786 16.653 ( 3.455 -2.236 -5.903) 7.196 16.950 ( 0.381 5.602 1.560) 5.827 17.287 ( -3.619 0.029 -4.518) 5.789 17.772 ( 1.926 -8.114 16.455) 18.448 18.427 ( -6.660 1.328 6.856) 9.650 18.491 ( 1.219 -7.008 -1.762) 7.329 18.601 ( -1.149 -1.310 -0.576) 1.836 19.124 ( -0.769 -0.733 -0.922) 1.407 19.698 ( -1.170 6.362 4.638) 7.960 21.620 ( 2.298 -14.416 -18.705) 23.728 22.675 ( -4.973 8.950 15.278) 18.392 23.888 ( 1.059 -8.699 2.711) 9.173 25.003 ( -0.537 1.978 -11.900) 12.076 25.442 ( 3.139 -2.033 -12.775) 13.311 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -6.349 18.051 3.744) 19.497 1.724 ( 2.836 13.590 17.477) 22.320 1.876 ( -11.433 -3.660 0.809) 12.032 2.210 ( -1.071 6.975 14.988) 16.566 2.369 ( -0.826 -3.591 5.654) 6.749 2.552 ( -2.437 -0.506 -4.855) 5.456 2.743 ( 4.433 8.455 2.377) 9.838 2.976 ( -2.509 1.299 -4.156) 5.026 3.104 ( 3.317 -5.932 -3.634) 7.707 3.169 ( -2.667 0.866 0.793) 2.914 3.453 ( -0.344 1.994 12.568) 12.730 3.496 ( -1.091 -2.398 3.449) 4.340 3.685 ( -1.987 7.686 2.227) 8.245 3.786 ( -2.164 -11.125 0.621) 11.350 4.123 ( 1.088 -5.810 9.051) 10.811 4.198 ( 3.432 6.165 3.849) 8.037 4.460 ( 2.237 -9.280 2.979) 9.999 4.880 ( -8.601 -1.280 3.539) 9.389 5.074 ( 1.255 11.608 1.541) 11.777 5.226 ( 0.477 6.508 -5.597) 8.596 5.405 ( -2.289 2.217 0.557) 3.235 5.709 ( 0.970 6.405 -6.346) 9.068 5.767 ( -3.466 -4.586 -5.808) 8.171 5.911 ( 3.389 7.140 -7.778) 11.089 6.719 ( -7.071 3.313 2.023) 8.066 6.770 ( -5.548 11.796 12.393) 17.986 7.052 ( -7.106 -1.768 -0.818) 7.368 7.418 ( 9.206 1.427 2.359) 9.610 7.638 ( -6.503 -4.635 1.325) 8.095 7.791 ( 5.270 4.616 3.092) 7.658 8.043 ( -0.309 -8.148 -4.890) 9.508 8.424 ( 6.447 1.424 3.893) 7.665 8.638 ( -1.891 12.653 -3.694) 13.316 8.826 ( -3.277 10.523 2.850) 11.383 9.072 ( -1.982 4.046 -1.480) 4.743 9.416 ( 3.193 -3.306 5.104) 6.869 9.492 ( 2.288 -0.493 -2.638) 3.526 9.558 ( -2.014 2.435 3.716) 4.878 9.693 ( -4.844 5.924 -0.984) 7.715 10.048 ( 2.115 1.396 -3.632) 4.429 10.470 ( 9.516 2.675 -8.347) 12.938 10.724 ( -7.158 6.267 0.514) 9.527 11.069 ( 1.185 -5.921 3.773) 7.121 11.174 ( -4.254 13.117 1.959) 13.928 11.607 ( 10.894 0.354 2.158) 11.111 11.723 ( 0.882 -2.968 7.144) 7.786 11.837 ( -2.583 -0.267 8.065) 8.473 12.404 ( 4.666 -0.855 1.102) 4.870 12.546 ( -1.812 -8.415 -5.598) 10.268 12.908 ( 6.983 -10.946 -0.809) 13.009 13.323 ( -8.832 4.913 5.309) 11.416 13.900 ( -5.522 -0.984 5.188) 7.640 14.113 ( 9.927 -2.546 10.188) 14.450 14.516 ( -10.973 -2.953 -6.952) 13.321 14.679 ( 7.764 -5.602 -4.890) 10.751 15.295 ( 5.815 -13.522 -3.015) 15.025 16.006 ( 5.883 2.917 5.745) 8.725 16.082 ( -14.639 2.343 -0.891) 14.852 16.695 ( 1.460 -1.309 -3.837) 4.309 17.006 ( 1.449 -0.416 -6.074) 6.258 17.236 ( 0.993 0.954 5.729) 5.893 17.816 ( -3.965 -8.980 16.288) 19.018 18.335 ( -0.547 3.462 1.107) 3.676 18.569 ( 2.138 -5.822 1.821) 6.464 18.615 ( 4.720 -2.853 0.848) 5.580 19.121 ( 0.761 -0.503 -0.759) 1.186 19.659 ( -3.619 7.376 2.769) 8.670 21.555 ( -3.009 -14.016 -20.802) 25.263 22.658 ( -1.454 10.189 14.500) 17.781 23.898 ( -1.005 -8.746 3.114) 9.338 24.977 ( 1.919 2.318 -13.085) 13.427 25.453 ( 1.889 -2.208 -12.367) 12.703 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -16.027 9.976 3.842) 19.265 1.560 ( -11.114 18.420 3.415) 21.782 1.899 ( 5.111 8.573 14.914) 17.946 2.182 ( -5.756 -0.310 9.467) 11.084 2.277 ( -8.958 6.620 12.296) 16.591 2.552 ( 0.816 8.078 -3.949) 9.029 2.792 ( -0.680 9.231 4.581) 10.327 2.889 ( -3.763 0.478 0.135) 3.796 3.144 ( 1.097 -1.726 -8.075) 8.330 3.199 ( 5.475 -0.201 0.036) 5.479 3.468 ( -0.653 -3.440 -1.434) 3.784 3.501 ( 1.565 -2.906 14.167) 14.547 3.663 ( -0.875 5.192 1.306) 5.424 3.753 ( -2.009 -16.826 3.225) 17.250 4.120 ( -5.561 -4.171 2.869) 7.520 4.244 ( -0.385 2.101 3.538) 4.132 4.503 ( 0.923 -8.146 3.890) 9.075 4.754 ( -5.051 -2.457 6.848) 8.857 4.997 ( -6.457 8.168 -2.518) 10.712 5.261 ( 2.975 8.223 -5.313) 10.232 5.340 ( -3.426 0.237 0.474) 3.466 5.623 ( -4.232 -0.860 -2.379) 4.930 5.766 ( 1.091 6.523 -7.490) 9.992 5.933 ( 1.150 5.997 -7.433) 9.620 6.583 ( -4.963 8.451 3.677) 10.467 6.734 ( -3.791 6.909 11.383) 13.844 6.892 ( -8.654 -0.951 -0.889) 8.751 7.461 ( -8.469 -5.929 5.589) 11.752 7.666 ( 10.141 1.833 -0.384) 10.313 7.876 ( 4.500 4.052 3.587) 7.038 8.113 ( 7.137 -6.209 -2.569) 9.802 8.545 ( 1.979 2.335 -4.037) 5.067 8.589 ( 1.083 8.241 1.611) 8.466 8.744 ( -4.319 12.328 1.270) 13.124 9.021 ( -3.367 5.143 -4.184) 7.436 9.456 ( -2.664 -1.888 1.421) 3.561 9.511 ( 4.842 -2.930 4.330) 7.126 9.549 ( -4.579 9.006 2.981) 10.534 9.685 ( 6.311 1.939 4.449) 7.961 10.067 ( -1.339 2.988 -1.686) 3.683 10.495 ( -3.888 -0.384 0.117) 3.908 10.739 ( 7.431 1.028 -8.284) 11.176 10.993 ( -4.148 5.991 1.400) 7.420 11.215 ( 5.980 -1.968 1.664) 6.512 11.762 ( 4.078 -0.316 1.080) 4.230 11.826 ( 1.904 0.044 10.601) 10.771 11.877 ( 6.860 2.060 8.628) 11.213 12.427 ( -7.751 -1.350 -4.722) 9.176 12.519 ( 4.219 -0.976 -2.054) 4.793 13.031 ( 6.439 -8.689 -3.189) 11.275 13.236 ( -1.691 0.978 10.055) 10.243 13.745 ( -10.560 -3.513 6.797) 13.040 14.137 ( -8.181 -7.673 -1.348) 11.296 14.522 ( 13.090 7.387 4.720) 15.754 14.896 ( 15.668 -6.231 -6.517) 18.077 15.456 ( 9.551 -5.729 -3.069) 11.552 15.620 ( -24.900 2.897 -4.768) 25.518 16.227 ( 8.379 -0.788 11.767) 14.467 16.624 ( -7.959 -5.180 -4.990) 10.728 16.912 ( -5.613 -1.850 -15.211) 16.319 17.346 ( 3.678 -3.814 14.220) 15.175 17.729 ( -8.300 -8.852 14.202) 18.680 18.356 ( 0.312 1.436 -1.178) 1.883 18.629 ( 5.228 0.041 -1.206) 5.365 18.753 ( 7.488 -2.856 5.594) 9.773 19.151 ( 1.484 -4.455 2.164) 5.170 19.628 ( 2.440 11.964 0.910) 12.244 21.375 ( -9.371 -14.431 -22.120) 28.024 22.703 ( 1.458 11.316 14.458) 18.417 23.867 ( -3.314 -8.421 3.734) 9.789 25.001 ( 4.846 2.341 -13.857) 14.866 25.441 ( 0.735 -2.646 -12.061) 12.370 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -18.279 16.601 3.903) 24.999 1.454 ( -4.458 21.521 7.471) 23.213 2.005 ( -0.105 5.017 16.612) 17.353 2.049 ( -7.756 0.189 -1.327) 7.871 2.192 ( -4.466 12.918 18.086) 22.670 2.526 ( -2.016 17.147 -0.023) 17.265 2.760 ( -1.249 11.658 4.013) 12.392 2.883 ( 0.336 -0.893 1.544) 1.815 3.127 ( 0.232 -1.338 -7.457) 7.579 3.288 ( 2.116 -0.569 6.723) 7.071 3.471 ( 0.789 -9.367 -1.877) 9.586 3.575 ( 1.660 -11.852 3.554) 12.484 3.650 ( -0.928 2.516 0.720) 2.777 3.770 ( 3.447 -7.533 5.148) 9.753 3.964 ( -8.542 -7.601 3.028) 11.828 4.194 ( -4.323 1.759 2.008) 5.081 4.483 ( -4.004 -11.418 3.376) 12.562 4.721 ( -2.506 0.300 5.610) 6.151 4.899 ( -1.620 5.087 -5.588) 7.728 5.269 ( -0.987 5.147 0.244) 5.246 5.324 ( 2.615 2.757 -2.381) 4.484 5.575 ( -2.096 5.660 4.096) 7.294 5.719 ( -2.149 6.320 -10.039) 12.056 5.929 ( 0.884 4.933 -6.337) 8.079 6.535 ( -2.079 6.173 1.582) 6.703 6.702 ( -3.210 2.432 3.833) 5.559 6.764 ( -3.385 2.902 7.801) 8.986 7.319 ( -7.080 -6.760 9.455) 13.609 7.822 ( 5.529 1.170 0.808) 5.709 8.019 ( 8.444 3.934 3.139) 9.831 8.240 ( 6.414 -3.437 -2.261) 7.621 8.496 ( -1.899 2.519 -4.821) 5.762 8.652 ( -0.782 1.215 5.338) 5.530 8.690 ( -0.498 15.409 -0.568) 15.427 8.926 ( -4.383 6.295 -5.800) 9.617 9.387 ( -4.403 0.491 0.986) 4.539 9.533 ( 1.940 8.663 8.468) 12.269 9.623 ( 4.962 -5.421 2.280) 7.694 9.835 ( 5.756 0.089 7.303) 9.299 9.983 ( -6.803 3.541 2.091) 7.949 10.460 ( 1.540 -6.287 -2.507) 6.942 10.701 ( -7.243 -2.418 -0.871) 7.686 11.102 ( 12.158 3.924 -6.769) 14.458 11.358 ( 7.775 0.461 2.209) 8.095 11.796 ( -1.290 0.337 2.986) 3.271 11.890 ( 1.035 0.042 7.066) 7.141 12.007 ( 4.843 6.284 6.752) 10.418 12.243 ( -7.786 3.853 -4.224) 9.659 12.539 ( -2.193 4.262 0.112) 4.794 13.143 ( 5.868 -7.237 -1.988) 9.527 13.244 ( -2.685 -0.272 4.675) 5.398 13.499 ( -17.387 -10.385 0.611) 20.262 14.157 ( 14.741 2.108 0.430) 14.897 14.829 ( 12.364 3.098 9.929) 16.157 15.092 ( -25.372 5.999 -1.119) 26.096 15.169 ( 14.184 4.045 -12.594) 19.395 15.644 ( 7.545 -9.366 -0.764) 12.051 16.321 ( -7.704 -3.200 4.640) 9.546 16.458 ( -0.560 -4.790 -0.947) 4.915 16.750 ( -5.344 -7.308 -13.602) 16.339 17.397 ( -1.806 -8.338 10.969) 13.897 17.638 ( -5.554 -6.848 15.389) 17.736 18.336 ( -0.618 2.784 -3.043) 4.170 18.715 ( 2.612 1.713 -3.284) 4.533 18.890 ( 4.352 -1.002 5.835) 7.348 19.156 ( -1.413 -7.535 7.194) 10.513 19.839 ( 17.469 9.045 -1.080) 19.702 21.088 ( -11.908 -13.399 -19.300) 26.340 22.790 ( 2.571 10.878 15.515) 19.122 23.800 ( -4.597 -7.192 4.395) 9.601 25.072 ( 6.725 1.544 -14.215) 15.801 25.410 ( -0.126 -3.089 -11.859) 12.255 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -1.049 19.035 1.669) 19.137 1.775 ( -1.864 12.089 2.660) 12.518 2.028 ( 0.309 3.558 1.757) 3.980 2.082 ( -0.044 3.868 11.218) 11.866 2.328 ( -4.131 5.661 6.780) 9.751 2.607 ( 0.627 -0.769 -5.553) 5.641 2.812 ( 0.127 -2.846 4.761) 5.548 2.909 ( 0.773 -4.394 -2.464) 5.097 3.246 ( -1.300 -7.219 0.743) 7.373 3.259 ( 1.775 -8.372 -2.115) 8.816 3.326 ( 0.328 -0.364 4.619) 4.644 3.445 ( -4.680 -9.358 4.237) 11.289 3.568 ( -1.838 -7.769 10.784) 13.417 3.684 ( -1.122 18.248 7.327) 19.696 3.900 ( -1.199 1.879 3.831) 4.432 4.199 ( 3.857 2.159 1.544) 4.682 4.413 ( 0.600 9.194 -2.457) 9.536 4.683 ( -4.724 2.513 0.720) 5.399 4.912 ( 2.526 -2.173 -3.610) 4.913 5.216 ( 0.213 -6.457 5.918) 8.761 5.531 ( 0.340 7.868 -2.610) 8.297 5.689 ( -3.336 6.294 0.221) 7.127 5.845 ( 3.691 7.054 -6.876) 10.520 6.005 ( 1.924 2.944 -5.903) 6.872 6.555 ( -0.093 0.768 -0.420) 0.880 6.670 ( 1.361 0.345 -4.468) 4.683 6.882 ( -1.317 4.416 11.914) 12.774 7.113 ( -1.642 -7.994 13.028) 15.373 7.907 ( 1.616 1.397 3.152) 3.808 8.176 ( 1.290 -6.226 4.184) 7.611 8.271 ( -2.164 4.236 -1.573) 5.010 8.463 ( 2.922 0.814 2.113) 3.696 8.619 ( -2.586 4.208 3.201) 5.885 8.944 ( -7.708 2.964 -11.580) 14.223 9.090 ( 4.162 12.771 -7.099) 15.193 9.452 ( 4.873 9.434 6.051) 12.221 9.523 ( -0.075 -7.314 8.189) 10.980 9.629 ( -2.969 -7.566 0.215) 8.131 9.877 ( -1.130 5.468 9.632) 11.134 9.998 ( -1.452 2.391 2.725) 3.905 10.307 ( -2.764 -7.638 -2.289) 8.439 10.552 ( -1.665 -0.846 3.749) 4.189 11.264 ( 5.425 1.746 1.933) 6.018 11.551 ( 3.572 2.474 1.610) 4.634 11.813 ( -1.207 1.830 -0.916) 2.376 11.955 ( -0.836 3.552 3.612) 5.134 12.235 ( -4.921 9.596 2.087) 10.984 12.359 ( 4.121 8.916 -0.765) 9.852 12.576 ( 0.329 2.192 0.469) 2.266 13.015 ( -3.118 -8.926 -1.706) 9.608 13.063 ( -8.007 -1.156 -6.374) 10.300 13.222 ( 1.956 -2.370 0.407) 3.099 14.726 ( -9.383 10.821 1.604) 14.412 14.727 ( 15.116 -0.553 7.928) 17.078 14.963 ( -2.060 2.778 2.915) 4.523 15.374 ( 2.232 -13.385 0.293) 13.573 15.643 ( 0.455 8.373 -6.699) 10.732 16.055 ( -7.795 -3.062 0.100) 8.375 16.281 ( -2.971 -9.523 0.117) 9.977 16.478 ( 6.885 -13.948 -4.094) 16.085 17.275 ( -0.140 -1.875 8.155) 8.369 17.498 ( -2.317 -4.805 13.617) 14.624 18.404 ( -1.188 4.124 -3.850) 5.766 18.678 ( -4.112 -1.788 -8.843) 9.915 18.954 ( -0.199 1.237 5.478) 5.620 19.091 ( 3.808 -4.493 11.649) 13.054 20.092 ( -2.901 7.039 -9.464) 12.147 20.755 ( 9.419 -12.675 -10.522) 18.976 23.047 ( -1.491 9.127 10.118) 13.707 23.605 ( -1.277 -7.898 4.756) 9.307 25.153 ( 3.598 0.616 -13.778) 14.254 25.302 ( 1.120 -3.640 -13.013) 13.559 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 7.862 12.433 0.054) 14.710 1.797 ( 2.949 10.026 5.498) 11.809 2.039 ( -0.611 6.124 7.508) 9.708 2.138 ( 2.211 9.209 5.333) 10.869 2.298 ( -0.681 0.824 5.518) 5.621 2.616 ( 1.771 0.453 -4.353) 4.721 2.812 ( -1.012 -2.041 2.111) 3.106 2.908 ( -0.397 -4.153 -3.651) 5.544 3.215 ( -0.002 -5.589 -1.677) 5.835 3.232 ( -7.674 -1.968 7.111) 10.646 3.340 ( -1.786 -4.159 2.439) 5.142 3.372 ( 0.621 -8.348 3.405) 9.037 3.546 ( -2.990 -9.231 6.547) 11.705 3.743 ( 4.919 2.802 5.033) 7.574 3.959 ( 4.885 7.136 7.499) 11.447 4.296 ( -1.170 9.331 -0.016) 9.404 4.402 ( 3.103 2.313 -3.254) 5.056 4.666 ( 3.623 6.069 4.930) 8.618 5.012 ( 8.089 -3.850 -1.392) 9.066 5.221 ( -0.244 -2.808 2.019) 3.467 5.512 ( -1.658 1.882 -0.130) 2.512 5.605 ( -3.875 5.552 -3.111) 7.451 5.915 ( 4.415 7.906 -5.304) 10.494 6.031 ( 2.319 4.341 -7.537) 9.002 6.593 ( 4.096 3.530 1.964) 5.753 6.749 ( 7.277 1.391 -2.937) 7.970 6.931 ( 2.281 0.855 13.271) 13.492 7.165 ( 3.147 -8.680 10.994) 14.357 7.893 ( -5.050 3.325 0.187) 6.049 8.109 ( -6.061 0.115 8.340) 10.310 8.208 ( -4.399 -4.382 -1.117) 6.309 8.566 ( -3.424 -0.052 4.111) 5.350 8.587 ( 3.414 4.009 -2.608) 5.876 8.775 ( -2.806 5.299 -8.468) 10.376 9.164 ( 5.523 7.193 -6.717) 11.285 9.494 ( -4.373 -3.909 5.715) 8.189 9.527 ( -3.143 2.360 0.965) 4.047 9.593 ( 3.130 6.815 3.394) 8.232 9.927 ( 1.969 -1.747 10.422) 10.750 9.989 ( 0.764 2.114 0.245) 2.261 10.214 ( -4.643 -3.647 1.245) 6.034 10.592 ( 3.000 -3.807 -1.933) 5.218 11.335 ( 0.040 4.177 6.965) 8.122 11.525 ( -6.005 9.428 3.070) 11.592 11.791 ( -1.549 -0.229 1.374) 2.083 11.941 ( -1.292 1.841 2.747) 3.551 12.046 ( -9.983 9.418 -3.141) 14.079 12.369 ( -1.195 1.096 -1.936) 2.526 12.679 ( 0.185 0.206 3.573) 3.584 12.894 ( -5.249 5.514 -6.337) 9.905 13.019 ( 6.410 -5.283 -0.712) 8.337 13.318 ( 7.480 -3.695 -1.916) 8.560 14.376 ( -14.502 5.462 8.008) 17.443 14.784 ( -10.871 6.889 -0.598) 12.884 15.148 ( -18.450 -17.924 3.616) 25.976 15.265 ( 15.481 -3.799 2.484) 16.133 15.715 ( 8.957 11.276 -4.073) 14.965 15.919 ( -5.702 0.802 -2.224) 6.172 16.302 ( 5.586 -8.662 -4.021) 11.064 16.733 ( 16.615 -12.990 -0.319) 21.093 17.296 ( -0.304 -1.552 6.641) 6.827 17.505 ( -1.097 -4.933 14.169) 15.043 18.350 ( -2.834 1.906 -4.998) 6.053 18.599 ( -1.644 -3.337 -6.221) 7.248 18.893 ( -7.465 2.341 5.158) 9.371 19.144 ( -2.296 -5.433 8.701) 10.512 19.969 ( -3.758 13.245 -7.384) 15.623 20.991 ( 14.718 -17.863 -9.704) 25.098 23.014 ( -4.863 9.269 10.222) 14.631 23.620 ( 1.129 -8.467 4.234) 9.533 25.146 ( 0.044 0.801 -12.629) 12.655 25.310 ( 3.696 -3.606 -13.619) 14.565 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 5.685 4.991 -1.349) 7.684 1.920 ( 6.977 4.237 5.710) 9.962 2.054 ( -0.257 8.921 10.905) 14.091 2.159 ( -1.538 11.376 6.279) 13.084 2.334 ( 2.180 -1.036 3.324) 4.108 2.646 ( 1.834 1.322 -1.988) 3.010 2.781 ( -1.024 0.390 -2.440) 2.675 2.877 ( -2.105 -5.920 -1.936) 6.575 3.097 ( -6.438 -2.274 4.810) 8.352 3.234 ( 0.464 -1.425 -1.807) 2.348 3.328 ( 2.378 -3.141 3.423) 5.219 3.445 ( 3.775 -3.895 7.229) 9.038 3.504 ( -2.630 -9.592 5.977) 11.604 3.882 ( 7.820 -4.942 1.506) 9.373 4.090 ( 5.549 7.868 8.865) 13.087 4.126 ( -11.172 7.939 -0.672) 13.722 4.513 ( 2.386 7.703 0.858) 8.109 4.780 ( 5.785 2.561 6.743) 9.246 5.172 ( 7.486 -3.019 -0.885) 8.120 5.259 ( 4.560 1.208 -1.571) 4.972 5.462 ( -3.579 1.969 0.847) 4.172 5.563 ( 1.058 -2.423 -3.470) 4.362 5.952 ( 0.849 8.592 -5.378) 10.172 6.040 ( 1.249 4.772 -9.114) 10.363 6.710 ( 6.701 6.209 3.525) 9.791 6.897 ( 7.654 1.435 0.883) 7.837 7.026 ( 2.924 0.285 13.665) 13.977 7.294 ( 7.534 -8.174 6.802) 13.032 7.718 ( -11.786 4.603 0.038) 12.653 7.990 ( -9.594 3.477 -1.476) 10.311 8.152 ( -1.494 -6.511 10.341) 12.312 8.406 ( -11.159 -2.483 -3.073) 11.838 8.587 ( 2.487 3.356 -7.256) 8.373 8.872 ( 7.968 4.385 1.809) 9.273 9.238 ( 3.528 4.790 -4.699) 7.581 9.420 ( -2.602 0.431 2.479) 3.620 9.487 ( -0.959 -3.550 -0.893) 3.784 9.636 ( -1.118 14.065 3.696) 14.586 9.872 ( -7.073 -8.078 4.520) 11.649 10.103 ( 8.918 3.349 -4.668) 10.608 10.220 ( 2.970 2.680 9.688) 10.481 10.605 ( 0.599 -5.956 -5.952) 8.441 11.281 ( -6.994 6.098 7.030) 11.642 11.448 ( -1.877 13.606 2.143) 13.901 11.745 ( -4.479 0.820 2.712) 5.299 11.871 ( -5.765 4.346 -1.106) 7.304 11.948 ( -1.446 4.572 4.994) 6.923 12.356 ( 1.171 -5.977 -3.368) 6.960 12.536 ( -11.567 -3.322 0.654) 12.053 12.719 ( -9.781 -0.364 -4.197) 10.650 13.324 ( 19.040 1.512 6.388) 20.140 13.489 ( 10.730 -1.512 -1.494) 10.939 14.168 ( -11.506 6.173 3.893) 13.625 14.617 ( -4.776 3.257 -2.207) 6.188 14.841 ( -14.381 -16.362 7.042) 22.894 15.205 ( -13.990 -14.364 -3.203) 20.305 15.858 ( 2.252 3.989 -6.301) 7.790 16.057 ( 18.513 13.258 5.048) 23.323 16.428 ( 8.586 -6.806 -3.354) 11.459 16.987 ( 8.690 -3.239 -1.273) 9.361 17.300 ( -0.896 -1.912 3.461) 4.055 17.547 ( 0.908 -6.642 14.590) 16.056 18.297 ( -0.535 -1.469 -3.843) 4.149 18.559 ( -1.745 -5.283 -2.827) 6.241 18.720 ( -11.589 3.440 4.850) 13.025 19.084 ( -4.320 -5.795 3.585) 8.069 19.933 ( 0.587 15.699 -3.233) 16.039 21.186 ( 8.752 -20.522 -12.243) 25.449 22.944 ( -5.203 10.751 10.406) 15.841 23.659 ( 1.412 -9.809 3.883) 10.643 25.099 ( -0.630 2.189 -12.409) 12.617 25.345 ( 3.971 -4.181 -13.575) 14.749 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 3.630 0.864 -0.498) 3.764 1.980 ( -1.917 5.521 4.441) 7.340 2.090 ( -1.992 4.529 5.400) 7.324 2.192 ( 4.187 6.119 12.629) 14.645 2.359 ( -0.632 3.324 -0.234) 3.392 2.618 ( -4.960 -0.060 6.040) 7.816 2.826 ( 1.452 -6.656 0.987) 6.884 2.849 ( 5.350 6.856 -4.164) 9.642 3.031 ( -1.271 -2.889 -2.270) 3.888 3.243 ( 0.611 0.085 4.174) 4.220 3.365 ( -1.370 -3.879 9.084) 9.972 3.437 ( -2.802 -11.793 -0.964) 12.159 3.654 ( 12.294 5.389 8.515) 15.896 3.887 ( -9.873 7.854 -1.377) 12.691 4.035 ( 3.243 -9.984 4.997) 11.626 4.208 ( 2.953 6.034 8.021) 10.463 4.466 ( -4.961 11.652 2.628) 12.934 4.886 ( 1.284 -3.601 4.446) 5.864 5.238 ( 1.252 4.178 -1.394) 4.579 5.355 ( 3.363 2.109 -2.274) 4.575 5.424 ( 0.378 2.593 -0.312) 2.639 5.594 ( 1.626 -9.010 -2.657) 9.534 5.928 ( -0.635 9.044 -6.188) 10.977 6.032 ( 1.262 5.427 -8.654) 10.292 6.823 ( 2.384 5.583 3.639) 7.078 6.968 ( -1.986 0.361 8.216) 8.460 7.163 ( 8.250 5.764 5.157) 11.308 7.379 ( -6.475 0.690 2.094) 6.840 7.594 ( 5.689 -2.785 2.877) 6.957 7.776 ( -11.323 0.538 0.463) 11.346 8.099 ( -8.082 -1.328 -2.157) 8.470 8.299 ( 2.021 -4.197 8.976) 10.113 8.655 ( 6.166 -0.500 -6.733) 9.143 8.993 ( 3.696 5.080 2.756) 6.860 9.261 ( -2.006 2.003 0.175) 2.841 9.402 ( -4.962 1.141 4.205) 6.604 9.439 ( 2.741 0.165 -7.688) 8.164 9.643 ( 2.268 5.324 1.742) 6.043 9.777 ( -3.939 2.156 4.265) 6.193 10.193 ( -2.447 5.607 -0.407) 6.132 10.320 ( 8.589 2.541 -2.241) 9.233 10.677 ( 8.299 -8.555 -0.333) 11.924 11.154 ( -9.046 6.645 5.614) 12.550 11.440 ( 1.679 8.230 -1.049) 8.465 11.603 ( -10.128 3.822 -2.922) 11.213 11.785 ( -4.060 3.224 3.656) 6.344 11.956 ( -0.698 7.259 9.716) 12.149 12.325 ( -4.299 -1.724 -4.291) 6.314 12.430 ( 2.368 -8.596 1.336) 9.016 12.574 ( -2.094 -8.170 -0.972) 8.490 13.591 ( 0.022 6.269 5.585) 8.396 13.723 ( 15.355 -1.887 5.049) 16.273 13.996 ( -3.698 2.955 0.010) 4.733 14.531 ( -8.513 -9.722 0.397) 12.928 14.639 ( -6.056 -4.029 -2.894) 7.829 14.973 ( -5.715 -15.306 -1.917) 16.450 15.926 ( 5.922 5.605 1.322) 8.260 16.298 ( 4.184 3.795 2.597) 6.217 16.598 ( 8.239 0.674 -1.415) 8.387 17.051 ( -0.159 3.305 -2.674) 4.254 17.277 ( -2.053 -0.637 0.300) 2.170 17.612 ( 0.736 -8.117 14.019) 16.215 18.326 ( 4.107 -5.484 0.491) 6.869 18.518 ( -1.352 -5.588 -0.779) 5.802 18.527 ( -8.557 5.263 3.115) 10.518 19.033 ( -1.802 -7.095 1.394) 7.452 19.934 ( -0.109 15.844 -2.678) 16.069 21.250 ( 2.492 -20.853 -14.872) 25.734 22.895 ( -3.036 12.161 10.616) 16.426 23.689 ( 0.442 -10.697 3.968) 11.418 25.057 ( 0.418 3.428 -12.931) 13.384 25.372 ( 3.023 -4.675 -13.327) 14.443 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 1.475 -1.263 -0.391) 1.981 1.941 ( -2.238 8.245 3.132) 9.099 2.034 ( -5.483 7.739 10.168) 13.904 2.258 ( -3.276 -3.178 -2.284) 5.104 2.360 ( 4.103 5.470 6.110) 9.170 2.543 ( -5.391 3.613 12.592) 14.166 2.847 ( 2.108 -8.532 -1.716) 8.954 2.970 ( 2.986 7.516 -1.701) 8.265 3.053 ( 6.459 0.022 -3.452) 7.324 3.231 ( -5.305 3.525 8.116) 10.317 3.357 ( -0.230 -12.973 2.720) 13.257 3.400 ( -1.729 -5.302 5.716) 7.986 3.676 ( -8.710 6.527 2.937) 11.274 3.953 ( 12.614 5.112 4.878) 14.458 4.056 ( -4.257 1.886 6.367) 7.888 4.171 ( -6.333 -3.820 7.646) 10.638 4.471 ( 3.802 9.608 0.763) 10.361 4.819 ( -7.716 -4.651 2.003) 9.229 5.258 ( -1.814 4.130 0.345) 4.524 5.334 ( -2.342 1.811 -3.559) 4.629 5.433 ( -0.546 2.461 -0.882) 2.670 5.584 ( -0.691 -6.728 -1.968) 7.043 5.919 ( 1.723 8.694 -7.535) 11.633 6.045 ( 2.076 5.203 -7.217) 9.136 6.783 ( -6.289 3.115 2.450) 7.433 6.949 ( -2.076 0.824 5.381) 5.826 7.092 ( -12.092 8.974 5.672) 16.091 7.443 ( 4.615 -0.348 3.685) 5.916 7.566 ( -3.148 -0.686 1.535) 3.569 7.827 ( 11.679 -3.151 0.093) 12.096 7.950 ( -4.987 1.683 0.216) 5.268 8.429 ( 7.078 -1.604 8.592) 11.247 8.722 ( 1.055 -0.026 -5.234) 5.339 9.033 ( -1.895 7.611 6.712) 10.323 9.156 ( -1.872 -1.471 -8.480) 8.808 9.383 ( 0.462 -1.114 3.537) 3.737 9.494 ( 1.631 3.977 -3.484) 5.533 9.663 ( -0.029 7.663 2.678) 8.118 9.771 ( 0.859 0.497 6.190) 6.269 10.093 ( -5.177 3.801 -2.166) 6.778 10.496 ( 8.591 0.529 -1.335) 8.711 10.785 ( -2.288 -3.342 4.464) 6.028 10.997 ( -3.535 3.324 -0.653) 4.896 11.356 ( -9.467 4.224 -8.666) 13.512 11.602 ( 10.249 -0.999 5.838) 11.838 11.749 ( 1.618 3.395 2.155) 4.335 11.938 ( -2.918 9.638 5.571) 11.508 12.333 ( 2.665 -5.460 -1.146) 6.183 12.461 ( 3.911 -0.940 2.085) 4.531 12.679 ( 9.489 -10.103 0.634) 13.875 13.463 ( -10.382 8.306 4.537) 14.049 13.869 ( -6.355 -2.187 6.772) 9.541 14.034 ( 3.225 -4.058 3.453) 6.228 14.434 ( 5.424 -10.816 -5.026) 13.102 14.543 ( -1.987 -0.297 -5.193) 5.568 15.021 ( 9.404 -12.251 -0.896) 15.470 16.075 ( 7.477 4.183 7.606) 11.456 16.229 ( -11.549 8.586 -0.738) 14.410 16.649 ( -3.004 -1.329 0.738) 3.367 17.002 ( -3.652 -0.282 -7.235) 8.109 17.254 ( -0.193 0.842 4.334) 4.419 17.615 ( -5.283 -10.817 12.172) 17.119 18.441 ( 0.253 1.755 6.350) 6.593 18.446 ( 5.890 0.429 -0.996) 5.989 18.544 ( 5.079 -4.352 -0.322) 6.697 19.014 ( -1.003 -8.365 1.081) 8.494 19.912 ( -0.695 16.198 -3.976) 16.694 21.198 ( -2.937 -20.055 -16.921) 26.404 22.896 ( -0.181 12.677 10.677) 16.576 23.697 ( -0.959 -10.770 4.355) 11.657 25.041 ( 2.174 3.949 -13.667) 14.391 25.378 ( 1.778 -4.894 -13.120) 14.116 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -8.395 7.467 -0.424) 11.243 1.905 ( -3.913 11.079 5.007) 12.772 2.012 ( 0.690 4.160 11.202) 11.970 2.143 ( -6.095 -0.346 -3.961) 7.278 2.474 ( -3.717 8.000 18.150) 20.180 2.502 ( 5.663 -3.702 -3.227) 7.496 2.846 ( -2.586 -6.352 -3.504) 7.702 2.993 ( -0.534 3.264 1.448) 3.611 3.107 ( -0.737 1.128 -0.114) 1.352 3.218 ( 4.664 -0.617 0.713) 4.758 3.349 ( -2.410 -6.207 1.715) 6.876 3.402 ( 0.399 -8.309 10.454) 13.360 3.570 ( -3.519 2.967 5.588) 7.239 3.908 ( -10.836 10.322 9.153) 17.542 4.056 ( -3.080 -0.177 0.643) 3.151 4.194 ( 3.228 -1.956 4.948) 6.224 4.513 ( -0.159 8.600 -2.543) 8.969 4.703 ( -3.333 -3.491 5.767) 7.520 5.104 ( -9.958 1.899 -3.330) 10.671 5.276 ( -4.799 -6.120 0.117) 7.778 5.445 ( 2.840 8.029 -1.717) 8.688 5.605 ( 3.036 -0.184 0.795) 3.144 5.917 ( -0.053 7.438 -8.996) 11.673 6.044 ( -0.207 4.186 -6.348) 7.607 6.667 ( -5.613 2.013 0.635) 5.997 6.863 ( -7.152 -1.546 -3.432) 8.082 6.952 ( -5.563 10.374 14.267) 18.496 7.310 ( -10.934 -7.363 8.023) 15.432 7.729 ( 9.811 3.371 -1.490) 10.481 7.900 ( 2.583 -2.672 1.495) 4.006 8.069 ( 10.267 4.167 2.607) 11.383 8.570 ( 4.512 1.269 3.193) 5.671 8.664 ( -4.475 0.520 -1.864) 4.875 8.990 ( -0.936 11.476 -0.189) 11.516 9.168 ( 1.696 -0.870 -6.820) 7.082 9.404 ( 0.141 -3.927 3.247) 5.098 9.449 ( -3.215 6.564 -0.273) 7.315 9.691 ( 0.239 -0.256 1.397) 1.440 9.803 ( 0.541 9.144 11.153) 14.432 10.027 ( -0.834 -5.653 -2.319) 6.167 10.500 ( -10.284 2.603 10.429) 14.876 10.734 ( 0.604 -2.483 -4.573) 5.239 11.030 ( 3.449 0.249 -1.528) 3.781 11.254 ( 4.113 3.451 -7.632) 9.331 11.734 ( 4.385 -1.418 4.839) 6.682 11.879 ( 1.670 2.877 1.689) 3.730 11.995 ( 11.239 8.874 6.759) 15.836 12.338 ( -0.450 -3.603 -2.576) 4.452 12.588 ( 5.731 3.374 1.598) 6.840 12.847 ( 7.703 -8.331 -2.227) 11.563 13.316 ( -6.494 6.281 8.988) 12.744 13.670 ( -14.414 -3.644 4.102) 15.423 14.014 ( -0.235 -3.561 -2.875) 4.583 14.586 ( 9.783 -10.701 -0.353) 14.503 14.719 ( 19.464 0.718 -0.364) 19.480 15.232 ( 10.428 -10.627 -2.112) 15.038 15.885 ( -20.625 16.434 -3.401) 26.591 16.232 ( 4.390 1.034 11.280) 12.149 16.525 ( -9.396 -4.293 0.366) 10.337 16.841 ( -10.830 -5.620 -10.996) 16.425 17.274 ( -0.966 -2.615 8.054) 8.523 17.529 ( -5.411 -9.803 12.030) 16.435 18.433 ( -0.270 5.644 0.427) 5.666 18.628 ( 9.475 0.111 -0.247) 9.479 18.698 ( 9.571 -2.465 4.189) 10.734 18.992 ( -1.770 -9.488 1.885) 9.834 19.914 ( 3.338 15.389 -5.026) 16.530 21.040 ( -8.073 -17.802 -17.920) 26.518 22.945 ( 1.763 12.076 10.487) 16.091 23.678 ( -2.510 -10.042 4.764) 11.394 25.059 ( 4.098 3.452 -14.190) 15.168 25.362 ( 0.744 -4.777 -12.955) 13.828 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -9.352 16.499 2.089) 19.080 1.836 ( -4.435 14.038 2.328) 14.905 2.042 ( -2.912 0.373 -0.446) 2.969 2.059 ( -0.209 1.400 11.829) 11.913 2.404 ( -5.982 7.963 9.731) 13.925 2.610 ( 2.914 -2.836 -4.466) 6.040 2.781 ( -0.501 -4.128 0.618) 4.204 2.937 ( -3.529 -1.358 1.206) 3.969 3.177 ( 5.901 -3.772 -2.878) 7.572 3.274 ( 0.451 -9.475 1.778) 9.651 3.310 ( -1.462 0.036 3.669) 3.950 3.457 ( 1.198 -9.739 7.199) 12.170 3.559 ( -0.697 4.414 8.791) 9.862 3.751 ( -8.153 11.711 10.033) 17.444 3.965 ( -5.381 0.311 0.570) 5.420 4.190 ( -2.205 0.338 0.416) 2.269 4.453 ( -3.909 9.588 -2.317) 10.610 4.721 ( 0.461 -0.752 5.324) 5.397 4.949 ( -4.552 -0.199 -5.040) 6.795 5.204 ( -2.054 -7.515 4.376) 8.936 5.503 ( 3.213 9.463 -2.353) 10.267 5.679 ( 3.191 3.881 3.023) 5.863 5.863 ( -1.916 7.089 -10.018) 12.421 6.012 ( -0.653 2.843 -5.794) 6.487 6.584 ( -2.901 0.271 -0.489) 2.954 6.728 ( -5.159 -0.196 -4.782) 7.037 6.903 ( -4.204 7.944 12.916) 15.736 7.159 ( -7.292 -7.937 11.527) 15.781 7.847 ( 3.836 1.166 1.089) 4.154 8.038 ( 9.144 -3.114 3.796) 10.379 8.231 ( 5.870 5.183 0.756) 7.867 8.528 ( -5.770 1.551 -4.972) 7.773 8.640 ( -0.947 0.636 6.656) 6.753 9.016 ( 3.732 10.111 -7.652) 13.218 9.117 ( -4.582 8.753 -7.149) 12.194 9.383 ( 0.324 2.368 1.348) 2.744 9.472 ( 1.916 -5.764 8.522) 10.465 9.668 ( -2.128 -1.793 2.341) 3.636 9.860 ( 0.517 5.354 12.191) 13.325 10.019 ( -0.250 -3.205 -2.433) 4.032 10.355 ( -5.372 -0.454 5.175) 7.473 10.651 ( -7.433 -3.068 1.510) 8.182 11.136 ( 7.802 0.999 -3.473) 8.598 11.407 ( 10.325 1.539 -2.538) 10.743 11.819 ( 1.832 2.217 0.846) 2.998 11.919 ( 2.696 3.403 5.618) 7.100 12.168 ( 5.241 8.473 2.080) 10.178 12.337 ( 0.615 4.575 0.715) 4.671 12.628 ( -1.768 3.276 -0.226) 3.730 12.965 ( 5.800 -9.663 -2.553) 11.555 13.246 ( -4.354 0.341 6.700) 7.998 13.356 ( -17.548 -3.314 -3.217) 18.146 14.199 ( 20.832 2.989 1.883) 21.129 14.835 ( 12.812 -4.945 4.931) 14.591 15.106 ( 19.086 -6.206 -0.844) 20.087 15.181 ( -18.727 1.189 -0.554) 18.773 15.645 ( 0.418 9.818 -4.337) 10.742 16.250 ( -9.266 -2.720 6.843) 11.836 16.349 ( -5.273 -5.646 0.908) 7.779 16.565 ( -11.708 -11.044 -10.468) 19.199 17.265 ( -1.633 -3.283 8.377) 9.144 17.503 ( -2.340 -6.350 13.268) 14.894 18.425 ( -0.292 5.503 -2.381) 6.003 18.749 ( 1.910 1.056 -6.179) 6.553 18.869 ( 6.173 -1.261 5.508) 8.369 18.992 ( 1.878 -7.494 8.321) 11.355 20.027 ( 9.214 9.798 -5.797) 14.646 20.812 ( -8.579 -13.534 -16.462) 22.973 23.012 ( 1.549 10.560 10.203) 14.766 23.636 ( -3.111 -8.781 4.971) 10.559 25.107 ( 5.110 2.021 -14.318) 15.336 25.332 ( 0.227 -4.308 -12.828) 13.534 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -1.943 13.390 -2.609) 13.779 1.886 ( -2.845 -1.918 -0.980) 3.568 2.098 ( 2.055 3.283 3.490) 5.214 2.134 ( 2.974 0.525 7.941) 8.496 2.444 ( -4.027 5.380 4.734) 8.220 2.548 ( -0.133 -4.441 1.222) 4.608 2.772 ( 1.729 0.015 1.485) 2.280 2.827 ( 2.351 -4.413 -2.735) 5.699 3.110 ( -1.764 -1.051 4.992) 5.398 3.158 ( 1.449 -3.468 0.153) 3.761 3.264 ( -4.963 -3.878 9.218) 11.164 3.285 ( -2.439 -3.558 -0.290) 4.323 3.476 ( -2.666 2.060 6.574) 7.387 3.632 ( -5.310 -10.908 2.346) 12.357 4.272 ( -0.269 14.886 3.831) 15.373 4.325 ( 3.009 5.518 -2.842) 6.898 4.629 ( 0.317 12.249 -2.577) 12.522 4.758 ( -0.705 6.046 5.372) 8.118 4.829 ( 0.185 -5.795 -0.837) 5.858 5.002 ( 1.809 -13.924 6.985) 15.682 5.677 ( -2.602 5.629 -2.660) 6.748 5.746 ( -3.114 -0.655 -1.402) 3.477 5.976 ( 4.066 5.267 -6.932) 9.609 6.039 ( 3.562 -0.409 -5.888) 6.893 6.572 ( 1.248 1.890 0.951) 2.456 6.640 ( 2.006 -3.516 -2.234) 4.624 6.949 ( -2.880 1.911 8.654) 9.319 6.992 ( -2.425 -3.155 10.614) 11.336 7.952 ( 2.122 3.203 4.491) 5.910 8.042 ( 1.832 -5.554 3.534) 6.833 8.399 ( -5.788 6.852 1.281) 9.061 8.492 ( -0.284 -0.493 4.357) 4.394 8.723 ( 0.575 5.559 -3.845) 6.784 8.851 ( -1.784 -7.096 -10.840) 13.078 9.309 ( -0.660 3.764 1.874) 4.256 9.417 ( -1.185 -8.299 2.961) 8.891 9.497 ( -2.060 10.035 -0.486) 10.256 9.714 ( 3.591 4.557 6.891) 9.008 9.833 ( -2.444 -5.053 -0.324) 5.623 9.950 ( 3.818 -4.194 4.410) 7.185 10.347 ( -4.000 7.438 4.647) 9.639 10.490 ( -2.609 -5.370 4.614) 7.546 11.351 ( 6.452 6.474 4.271) 10.089 11.497 ( 6.313 -6.493 3.815) 9.826 11.903 ( -3.185 5.739 -1.116) 6.658 11.985 ( -1.823 -1.398 0.528) 2.357 12.439 ( -5.760 9.328 0.177) 10.964 12.536 ( -3.214 7.399 -0.908) 8.118 12.573 ( 5.908 -1.145 1.940) 6.323 12.775 ( 2.764 -12.600 0.484) 12.909 13.103 ( -5.170 3.589 -5.067) 8.080 13.175 ( -1.599 -2.843 -1.779) 3.716 14.785 ( 8.571 6.308 5.379) 11.924 14.889 ( -2.974 2.491 3.171) 5.010 14.983 ( 5.671 0.292 2.005) 6.022 15.091 ( -7.562 -10.935 4.555) 14.054 15.847 ( 3.297 10.355 -6.940) 12.894 16.015 ( -0.319 -3.140 -3.138) 4.450 16.120 ( -6.373 -3.682 0.520) 7.378 16.212 ( 0.189 -10.402 0.056) 10.404 17.300 ( -0.037 3.574 9.709) 10.346 17.395 ( -0.989 -5.143 11.615) 12.741 18.500 ( -2.984 5.064 -5.411) 7.989 18.606 ( -4.330 -4.861 -7.707) 10.088 18.985 ( 1.597 1.744 6.511) 6.927 19.025 ( 3.098 -2.218 8.899) 9.680 20.269 ( 1.275 10.068 -9.761) 14.081 20.500 ( 5.275 -12.024 -10.269) 16.669 23.237 ( -1.428 9.292 6.866) 11.641 23.428 ( -1.250 -9.097 5.418) 10.662 25.177 ( 2.726 1.888 -13.996) 14.383 25.230 ( 1.888 -3.157 -13.752) 14.235 ======================= Grid point 92 (50/125) ======================= q-point: ( 0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.072 11.270 -3.825) 12.080 1.865 ( 0.871 -2.842 -0.005) 2.973 2.147 ( 1.902 4.886 3.293) 6.192 2.231 ( 3.900 -2.006 5.372) 6.935 2.410 ( -1.068 9.819 6.718) 11.945 2.576 ( 2.162 -5.224 3.216) 6.505 2.782 ( -0.867 1.644 1.553) 2.422 2.856 ( 0.301 -3.299 -3.076) 4.521 3.105 ( -0.161 -3.455 3.851) 5.176 3.147 ( -6.644 -6.934 12.647) 15.880 3.227 ( 1.722 1.692 -6.094) 6.555 3.264 ( 2.385 -2.355 -1.200) 3.560 3.453 ( -1.061 -0.389 6.639) 6.734 3.577 ( -0.342 -10.700 1.955) 10.882 4.279 ( 0.265 12.235 5.178) 13.288 4.414 ( 3.009 -2.012 -2.041) 4.155 4.589 ( -0.980 16.817 -0.242) 16.847 4.811 ( 1.690 5.077 7.617) 9.309 4.897 ( 8.165 -4.678 -1.563) 9.539 5.067 ( 3.602 -10.998 5.793) 12.942 5.585 ( -5.120 4.115 -3.116) 7.270 5.646 ( -5.376 -1.162 -3.272) 6.400 6.048 ( 4.329 4.773 -5.834) 8.692 6.094 ( 3.273 0.725 -6.681) 7.475 6.661 ( 7.506 3.885 1.848) 8.651 6.743 ( 8.729 -2.667 -2.119) 9.370 6.962 ( 1.230 1.574 9.455) 9.664 7.015 ( 1.542 -4.720 11.490) 12.517 7.967 ( -2.917 3.586 2.456) 5.235 8.042 ( -2.283 -3.895 6.274) 7.729 8.266 ( -8.037 7.346 -0.686) 10.910 8.451 ( -6.408 -9.020 1.660) 11.189 8.729 ( 1.403 6.982 -5.281) 8.866 8.814 ( 1.837 -0.853 -7.973) 8.226 9.314 ( 1.443 5.456 -0.929) 5.720 9.400 ( -1.248 -6.244 1.748) 6.604 9.451 ( -3.089 4.371 4.863) 7.231 9.696 ( -5.129 -14.850 0.446) 15.717 9.893 ( 5.831 12.201 5.612) 14.641 10.025 ( 3.615 -0.973 2.414) 4.455 10.314 ( -1.193 8.808 4.554) 9.987 10.489 ( 0.551 -7.006 1.586) 7.204 11.456 ( 2.058 7.228 9.447) 12.072 11.600 ( 2.771 -4.714 8.790) 10.352 11.808 ( -6.559 6.115 -0.452) 8.979 11.934 ( -3.099 -3.929 -0.543) 5.033 12.224 ( -11.096 7.744 -5.635) 14.657 12.345 ( -10.077 -3.459 -4.367) 11.514 12.722 ( -0.442 3.963 3.073) 5.035 12.836 ( -1.385 -6.730 2.550) 7.329 13.097 ( 9.089 7.697 -4.419) 12.704 13.231 ( 8.236 -5.117 -3.181) 10.205 14.513 ( -15.889 8.807 10.017) 20.745 14.751 ( -15.372 -13.235 9.224) 22.283 14.976 ( -10.892 5.786 -3.998) 12.965 15.133 ( -1.554 -8.066 -1.241) 8.308 15.929 ( 5.381 8.823 -8.093) 13.126 16.068 ( 5.352 7.720 1.497) 9.512 16.133 ( 11.236 -2.578 -3.177) 11.958 16.418 ( 19.168 -16.490 2.238) 25.384 17.320 ( -0.886 3.340 9.297) 9.918 17.408 ( -1.313 -4.658 11.814) 12.767 18.413 ( -4.058 4.051 -6.358) 8.562 18.509 ( -3.414 -4.944 -6.995) 9.221 18.956 ( -6.077 3.719 6.141) 9.406 19.042 ( -3.857 -4.496 7.661) 9.684 20.272 ( 2.573 16.077 -8.454) 18.346 20.623 ( 8.992 -17.685 -8.982) 21.778 23.216 ( -2.684 10.232 6.718) 12.531 23.427 ( -0.506 -9.991 5.103) 11.231 25.175 ( 1.485 2.187 -13.561) 13.816 25.235 ( 2.860 -3.434 -13.860) 14.563 ======================= Grid point 93 (51/125) ======================= q-point: ( 0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.200 8.970 -4.693) 10.360 1.906 ( 2.654 -5.166 -0.145) 5.810 2.179 ( 0.477 4.865 1.666) 5.165 2.264 ( -1.192 -2.906 1.569) 3.511 2.460 ( 2.297 11.537 13.698) 18.056 2.627 ( 0.417 -4.475 8.801) 9.882 2.757 ( -1.305 2.710 0.374) 3.031 2.847 ( 1.879 -1.809 -5.201) 5.819 3.036 ( -5.122 -2.348 4.401) 7.150 3.105 ( -1.832 -9.264 2.435) 9.752 3.274 ( 2.640 2.460 0.829) 3.702 3.338 ( 2.888 -2.755 -0.537) 4.028 3.505 ( 6.293 3.503 7.666) 10.519 3.662 ( 8.267 -11.174 3.038) 14.228 4.285 ( -3.419 7.546 4.096) 9.241 4.336 ( -6.355 5.340 0.273) 8.306 4.668 ( 4.693 8.743 3.030) 10.375 4.819 ( -2.533 -1.526 7.726) 8.272 5.095 ( 11.105 -0.545 -0.720) 11.141 5.197 ( 8.200 -6.858 2.938) 11.086 5.491 ( -3.403 2.941 -2.711) 5.252 5.546 ( -3.730 -1.636 -3.103) 5.121 6.086 ( 1.397 4.056 -6.325) 7.642 6.113 ( 1.182 1.503 -7.947) 8.174 6.830 ( 8.018 5.316 1.418) 9.725 6.907 ( 7.036 -1.365 -0.077) 7.168 7.051 ( 5.550 2.177 11.104) 12.603 7.134 ( 8.300 -6.390 9.678) 14.261 7.842 ( -10.071 6.940 1.490) 12.321 7.981 ( -8.425 -5.963 1.917) 10.498 8.122 ( -4.746 5.665 4.305) 8.553 8.280 ( -10.197 -8.401 -0.745) 13.233 8.727 ( 1.285 8.969 -7.483) 11.751 8.882 ( 5.826 -4.113 -5.002) 8.711 9.341 ( -0.827 4.172 1.829) 4.630 9.387 ( -0.333 -2.546 4.771) 5.418 9.422 ( -0.147 1.863 -0.249) 1.885 9.600 ( -3.763 -11.038 -0.212) 11.663 10.011 ( 3.926 11.579 4.866) 13.159 10.130 ( 6.999 -1.257 1.000) 7.181 10.326 ( 1.330 7.193 4.409) 8.540 10.484 ( -1.045 -6.740 -1.825) 7.061 11.450 ( -5.788 9.526 7.577) 13.478 11.640 ( -6.083 -7.569 6.031) 11.431 11.703 ( 0.285 10.182 4.344) 11.074 11.880 ( -2.934 -4.824 0.232) 5.651 12.063 ( -3.475 5.397 -3.630) 7.375 12.186 ( -3.913 -7.312 -2.510) 8.665 12.582 ( -12.096 5.174 -1.180) 13.209 12.684 ( -12.225 -3.656 -1.216) 12.818 13.383 ( 17.686 3.638 2.649) 18.250 13.450 ( 13.919 -2.512 0.196) 14.145 14.308 ( -10.859 8.000 9.052) 16.243 14.522 ( -12.649 -13.005 8.799) 20.163 14.724 ( -9.922 7.051 -4.695) 13.046 14.924 ( -14.207 -12.081 -5.797) 19.529 15.987 ( 3.710 7.922 -4.470) 9.824 16.155 ( 4.199 -6.693 -1.296) 8.006 16.486 ( 20.527 14.695 0.970) 25.263 16.804 ( 18.142 -13.716 -0.212) 22.744 17.320 ( -1.820 3.620 8.167) 9.116 17.420 ( -1.030 -5.625 11.894) 13.197 18.321 ( -3.516 3.577 -4.736) 6.899 18.430 ( -3.279 -6.472 -4.356) 8.462 18.820 ( -9.136 5.998 5.010) 12.022 18.954 ( -6.309 -6.661 4.772) 10.341 20.307 ( 2.923 20.095 -7.269) 21.569 20.744 ( 6.108 -21.826 -9.758) 24.676 23.184 ( -2.613 12.272 6.929) 14.333 23.436 ( -0.310 -11.741 5.049) 12.784 25.160 ( 1.247 3.759 -13.437) 14.009 25.250 ( 2.927 -4.752 -13.753) 14.842 ======================= Grid point 94 (52/125) ======================= q-point: ( 0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.340 7.673 -5.742) 9.677 1.936 ( 0.816 -7.782 -2.347) 8.169 2.172 ( -1.521 3.862 -0.032) 4.150 2.228 ( -2.727 -1.443 2.308) 3.852 2.539 ( 1.060 8.493 15.763) 17.936 2.631 ( -2.939 -1.074 13.293) 13.656 2.751 ( 0.160 4.394 0.590) 4.436 2.932 ( 6.480 -4.116 -0.016) 7.676 2.990 ( 0.282 0.685 -0.579) 0.941 3.092 ( 0.343 -8.827 0.557) 8.851 3.302 ( 0.375 -0.453 1.476) 1.589 3.335 ( -3.064 -1.563 7.276) 8.048 3.732 ( 12.091 3.322 4.851) 13.445 3.837 ( 6.542 -7.548 4.111) 10.801 4.124 ( -9.053 12.404 0.213) 15.358 4.291 ( -2.021 -1.529 4.055) 4.781 4.687 ( -3.189 8.121 4.512) 9.822 4.800 ( -2.323 -3.926 6.281) 7.763 5.248 ( 4.067 0.601 -0.177) 4.115 5.332 ( 3.205 -6.033 0.619) 6.860 5.459 ( 1.367 2.669 -2.711) 4.043 5.501 ( 0.044 -1.228 -2.352) 2.654 6.072 ( -0.017 4.462 -6.989) 8.292 6.105 ( 0.906 1.205 -7.850) 7.993 6.915 ( -0.184 3.291 2.456) 4.111 6.960 ( -1.480 -1.184 4.679) 5.049 7.269 ( 13.325 4.419 5.102) 14.937 7.354 ( 8.484 -3.520 3.771) 9.929 7.634 ( -9.532 6.395 3.337) 11.953 7.755 ( -12.796 -3.537 1.972) 13.421 8.085 ( -4.503 0.744 2.888) 5.401 8.161 ( 0.986 -6.829 7.523) 10.208 8.754 ( 3.786 9.391 -7.910) 12.849 8.964 ( 4.116 -8.182 -5.817) 10.850 9.296 ( -4.914 2.125 3.867) 6.605 9.341 ( -3.249 -1.469 5.916) 6.907 9.485 ( 4.911 2.652 -2.607) 6.160 9.585 ( 1.456 -6.106 -0.292) 6.284 10.043 ( -1.805 14.447 3.506) 14.976 10.230 ( 0.225 -3.194 0.285) 3.215 10.397 ( 5.266 4.534 1.337) 7.077 10.511 ( 6.309 -6.852 1.108) 9.380 11.326 ( -8.200 9.201 1.504) 12.416 11.486 ( -8.585 -4.773 -1.907) 10.006 11.691 ( -4.252 6.420 0.863) 7.749 11.797 ( -4.756 -2.657 0.932) 5.527 12.099 ( 5.695 5.401 5.912) 9.826 12.225 ( 4.106 -7.933 4.141) 9.846 12.361 ( -5.966 4.167 -2.477) 7.687 12.462 ( -8.071 -4.625 -0.596) 9.322 13.679 ( 6.767 2.250 2.819) 7.668 13.705 ( 12.921 -0.557 5.206) 13.942 14.105 ( -10.216 7.688 1.787) 12.910 14.299 ( -12.071 -10.844 2.838) 16.473 14.617 ( -2.163 1.343 -3.822) 4.592 14.716 ( -3.160 -8.778 -3.278) 9.888 16.064 ( 4.998 7.631 1.613) 9.263 16.230 ( 3.483 -7.739 2.295) 8.791 16.784 ( 8.783 13.740 -1.725) 16.398 17.024 ( 4.637 -7.252 -5.378) 10.150 17.303 ( -2.372 3.970 7.033) 8.417 17.434 ( -1.861 -8.330 11.299) 14.161 18.283 ( 1.438 1.543 0.033) 2.110 18.375 ( -0.452 -6.660 -0.880) 6.734 18.680 ( -6.065 8.560 3.133) 10.949 18.864 ( -3.903 -8.910 2.528) 10.051 20.323 ( 0.996 21.309 -7.733) 22.691 20.789 ( 1.923 -23.173 -11.376) 25.887 23.166 ( -1.493 13.753 7.352) 15.666 23.445 ( -0.374 -12.920 5.312) 13.974 25.146 ( 1.578 5.083 -13.592) 14.597 25.260 ( 2.488 -5.794 -13.661) 15.046 ======================= Grid point 95 (53/125) ======================= q-point: (-0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.749 6.109 -5.769) 8.841 1.940 ( 1.100 -7.457 -3.764) 8.425 2.125 ( -3.335 3.658 1.287) 5.115 2.182 ( -2.881 -2.551 1.754) 4.229 2.583 ( -1.800 8.953 13.523) 16.318 2.615 ( -2.559 1.989 15.026) 15.372 2.751 ( -0.194 2.815 -0.879) 2.955 2.950 ( -2.161 -8.673 0.638) 8.961 3.110 ( 7.182 1.226 -1.210) 7.386 3.122 ( 2.512 -4.009 1.010) 4.837 3.282 ( -3.361 1.459 8.641) 9.386 3.324 ( 0.065 -3.118 6.118) 6.867 3.761 ( -10.374 3.271 5.434) 12.159 3.891 ( -2.827 -9.250 5.990) 11.377 4.127 ( 8.073 12.530 1.010) 14.940 4.300 ( 3.047 0.536 4.378) 5.361 4.633 ( -3.232 6.111 0.173) 6.915 4.735 ( -5.139 -2.784 4.932) 7.647 5.252 ( -3.427 -1.620 -0.022) 3.791 5.285 ( -7.454 -4.105 -1.035) 8.572 5.503 ( 3.084 2.418 -1.590) 4.230 5.523 ( 2.641 -0.314 -0.359) 2.684 6.062 ( 1.084 4.768 -7.648) 9.077 6.107 ( 1.312 0.508 -7.297) 7.431 6.848 ( -6.358 3.180 1.231) 7.215 6.911 ( -4.464 -2.810 0.411) 5.291 7.278 ( -11.735 7.022 8.516) 16.110 7.386 ( -8.820 -4.090 6.235) 11.550 7.626 ( 8.413 4.884 -1.076) 9.787 7.728 ( 7.832 -4.980 -3.403) 9.885 8.073 ( 3.605 9.112 8.971) 13.285 8.295 ( 8.212 -10.809 12.936) 18.752 8.793 ( 1.772 8.022 -7.728) 11.278 8.997 ( 1.316 -9.691 -6.835) 11.932 9.220 ( -2.656 7.561 3.986) 8.950 9.333 ( -0.160 -2.719 4.583) 5.331 9.553 ( 2.412 0.949 -0.657) 2.674 9.617 ( 1.463 -6.322 1.232) 6.605 9.985 ( -4.697 13.525 1.473) 14.393 10.148 ( -6.954 -1.311 0.369) 7.086 10.525 ( 5.987 3.358 3.151) 7.553 10.647 ( 3.791 -7.602 6.396) 10.633 11.148 ( -7.841 8.791 -6.404) 13.408 11.319 ( -7.121 -6.890 -9.949) 14.042 11.666 ( 2.620 6.481 4.365) 8.242 11.770 ( 2.709 -2.209 1.427) 3.775 12.134 ( -2.391 7.382 4.064) 8.759 12.238 ( 0.689 -3.863 3.667) 5.371 12.449 ( 9.747 0.737 1.769) 9.934 12.519 ( 11.074 -5.560 1.008) 12.432 13.640 ( -9.349 8.268 5.062) 13.468 13.789 ( -7.225 -5.860 6.430) 11.309 14.014 ( -0.943 3.365 -3.050) 4.638 14.174 ( 0.136 -11.469 -3.441) 11.975 14.627 ( 6.745 6.608 -2.056) 9.664 14.796 ( 10.209 -9.590 -0.437) 14.014 16.176 ( 4.884 5.497 6.709) 9.954 16.284 ( 0.209 -3.580 4.451) 5.716 16.758 ( -10.593 11.180 -3.107) 15.712 16.956 ( -8.703 -5.601 -8.082) 13.131 17.280 ( -1.901 2.293 5.898) 6.607 17.392 ( -5.111 -9.247 9.856) 14.449 18.397 ( 9.362 0.407 4.304) 10.312 18.450 ( 8.044 -4.199 1.933) 9.277 18.615 ( -1.667 9.365 0.757) 9.543 18.818 ( -1.810 -10.026 1.094) 10.247 20.300 ( -0.597 20.891 -8.885) 22.709 20.753 ( -1.732 -22.420 -12.925) 25.937 23.173 ( -0.190 13.826 7.666) 15.811 23.452 ( -0.639 -12.920 5.661) 14.120 25.140 ( 2.155 5.503 -13.884) 15.089 25.262 ( 1.941 -6.068 -13.657) 15.070 ======================= Grid point 96 (54/125) ======================= q-point: (-0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 1.237 7.664 -4.634) 9.042 1.963 ( 1.925 -4.844 -2.537) 5.797 2.071 ( -2.575 2.665 5.409) 6.556 2.121 ( -4.072 -2.391 1.220) 4.877 2.569 ( -1.794 7.976 7.503) 11.097 2.603 ( -4.035 3.492 11.978) 13.113 2.739 ( -0.770 -0.946 -1.869) 2.232 2.885 ( -3.680 -10.804 -2.814) 11.755 3.147 ( -0.841 1.426 0.291) 1.681 3.161 ( -0.854 0.182 2.474) 2.623 3.293 ( 0.796 -0.720 8.857) 8.921 3.352 ( 0.166 -3.612 6.785) 7.688 3.582 ( -8.620 5.701 8.962) 13.679 3.813 ( -5.809 -13.940 7.578) 16.896 4.206 ( 0.490 15.930 2.107) 16.076 4.465 ( 10.604 4.093 3.420) 11.870 4.520 ( -7.277 2.955 -4.190) 8.902 4.706 ( 0.102 -0.178 4.052) 4.057 5.085 ( -11.620 -2.128 -1.372) 11.893 5.129 ( -8.549 -5.846 1.027) 10.408 5.569 ( 4.571 3.836 0.200) 5.971 5.608 ( 5.743 -0.241 0.761) 5.799 6.045 ( -0.777 4.451 -8.653) 9.761 6.091 ( -0.972 0.112 -7.292) 7.357 6.716 ( -6.938 3.280 -0.880) 7.724 6.801 ( -6.106 -4.274 -3.675) 8.310 7.113 ( -8.517 5.098 11.880) 15.481 7.194 ( -11.445 -3.912 10.393) 15.947 7.787 ( 7.233 2.331 -3.202) 8.247 7.836 ( 5.747 -2.666 -2.634) 6.861 8.244 ( 8.665 11.577 10.121) 17.651 8.486 ( 6.224 -9.912 11.332) 16.291 8.758 ( -2.445 9.100 -7.496) 12.041 8.980 ( -0.564 -11.069 -8.947) 14.244 9.238 ( 2.751 9.729 6.168) 11.844 9.349 ( 0.693 -1.580 2.719) 3.221 9.562 ( -1.529 0.785 1.272) 2.138 9.657 ( 2.438 -7.043 1.061) 7.528 9.881 ( -5.955 8.274 1.446) 10.296 10.014 ( -6.684 -0.991 1.669) 6.960 10.568 ( -5.741 3.426 10.312) 12.290 10.649 ( -3.353 -4.595 3.094) 6.476 11.089 ( 3.935 5.702 -7.352) 10.102 11.229 ( 3.035 -6.027 -10.381) 12.382 11.782 ( 7.066 5.698 6.345) 11.075 11.885 ( 6.173 -2.780 2.360) 7.169 12.182 ( 6.671 7.851 3.183) 10.783 12.287 ( 3.515 -2.526 1.280) 4.513 12.632 ( 6.765 1.808 0.383) 7.013 12.705 ( 7.101 -5.372 -1.609) 9.048 13.463 ( -10.719 7.209 7.081) 14.731 13.590 ( -13.927 -4.756 4.801) 15.480 14.026 ( 6.608 5.721 -3.957) 9.594 14.255 ( 10.838 -15.519 -3.449) 19.240 14.851 ( 14.519 8.098 1.595) 16.701 15.030 ( 12.425 -9.193 0.040) 15.456 16.200 ( -11.314 11.014 -0.962) 15.820 16.262 ( 0.535 1.383 8.223) 8.356 16.476 ( -14.458 1.935 0.958) 14.618 16.659 ( -18.875 -11.553 -7.363) 23.323 17.265 ( -1.507 2.074 6.740) 7.211 17.356 ( -1.421 -6.577 9.641) 11.757 18.569 ( 1.531 6.533 3.729) 7.676 18.647 ( 10.208 -0.090 -1.629) 10.338 18.651 ( 9.649 0.552 4.337) 10.593 18.791 ( -0.987 -9.425 0.221) 9.480 20.262 ( -0.056 18.197 -9.513) 20.534 20.653 ( -4.318 -19.305 -13.669) 24.045 23.200 ( 0.453 12.469 7.627) 14.624 23.452 ( -1.232 -11.755 5.830) 13.179 25.145 ( 2.838 4.820 -14.135) 15.202 25.254 ( 1.566 -5.496 -13.687) 14.832 ======================= Grid point 97 (55/125) ======================= q-point: (-0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.992 12.477 -2.265) 13.029 1.958 ( -2.766 -2.850 -2.218) 4.549 2.065 ( -0.825 1.268 3.544) 3.853 2.078 ( 0.730 0.152 7.364) 7.401 2.528 ( -5.836 4.140 6.031) 9.358 2.565 ( -1.572 -0.143 3.858) 4.168 2.725 ( 1.175 0.125 -0.937) 1.508 2.827 ( -0.928 -8.322 -4.438) 9.477 3.122 ( -1.182 0.676 3.313) 3.582 3.151 ( -0.731 -2.069 1.223) 2.512 3.305 ( -2.233 -2.730 8.026) 8.767 3.341 ( -3.234 -3.932 5.138) 7.234 3.504 ( -3.288 5.108 9.296) 11.105 3.729 ( -5.594 -13.600 5.867) 15.832 4.230 ( 1.754 18.048 3.070) 18.391 4.380 ( -5.553 6.709 -3.785) 9.496 4.612 ( 3.075 6.305 -2.463) 7.435 4.738 ( 1.844 2.565 6.039) 6.815 4.897 ( -6.820 -3.698 -1.442) 7.891 4.996 ( -4.602 -11.092 4.438) 12.803 5.663 ( 4.209 5.562 -0.284) 6.980 5.721 ( 4.882 -0.115 1.650) 5.155 5.986 ( -1.780 4.472 -9.506) 10.655 6.038 ( -1.382 -0.495 -7.062) 7.213 6.602 ( -4.253 2.282 -0.357) 4.840 6.681 ( -4.559 -4.290 -3.957) 7.406 7.013 ( -6.060 2.453 10.034) 11.976 7.045 ( -7.099 -2.438 11.290) 13.557 7.883 ( 3.971 2.595 1.425) 4.953 7.954 ( 6.073 -4.100 0.920) 7.385 8.396 ( 4.169 9.096 6.735) 12.062 8.537 ( -3.761 -2.893 4.783) 6.737 8.715 ( 0.956 7.451 -4.731) 8.878 8.924 ( -2.041 -11.074 -10.619) 15.478 9.306 ( 0.443 4.242 6.408) 7.697 9.394 ( 3.365 -2.137 2.083) 4.498 9.524 ( -1.580 8.167 -1.114) 8.393 9.673 ( -1.634 4.082 4.040) 5.971 9.845 ( 2.627 -6.454 0.592) 6.993 9.918 ( -4.249 -3.969 4.205) 7.175 10.442 ( -7.579 6.374 5.952) 11.554 10.565 ( -6.017 -5.179 4.538) 9.144 11.202 ( 8.246 5.774 -2.244) 10.314 11.345 ( 8.944 -6.647 -2.708) 11.468 11.917 ( 3.012 5.428 2.861) 6.836 11.972 ( 2.635 0.490 3.018) 4.036 12.333 ( 7.961 6.856 0.714) 10.531 12.402 ( 7.832 0.792 2.679) 8.316 12.671 ( -2.411 1.850 -0.852) 3.156 12.769 ( 0.792 -8.201 -2.610) 8.643 13.273 ( -10.493 2.372 2.403) 11.023 13.320 ( -13.325 -1.629 -0.589) 13.437 14.320 ( 23.601 9.389 1.938) 25.474 14.585 ( 22.247 -15.264 1.716) 27.035 15.090 ( 6.578 3.018 2.467) 7.646 15.160 ( -1.812 -2.853 0.805) 3.474 15.919 ( -10.885 14.815 -4.869) 19.018 16.194 ( -15.515 -9.071 -4.499) 18.527 16.243 ( -6.339 0.242 6.485) 9.072 16.333 ( -10.841 -8.811 -0.688) 13.986 17.272 ( -0.200 3.367 8.570) 9.210 17.374 ( -0.411 -5.962 10.788) 12.333 18.556 ( -1.616 7.009 -2.584) 7.643 18.701 ( -2.863 -6.202 -5.882) 9.014 18.856 ( 8.936 0.893 6.426) 11.042 18.891 ( 8.163 -2.483 6.280) 10.594 20.255 ( 2.426 12.342 -9.416) 15.712 20.529 ( -3.566 -13.804 -12.999) 19.293 23.228 ( 0.008 10.435 7.267) 12.716 23.441 ( -1.693 -10.030 5.726) 11.672 25.161 ( 3.233 3.302 -14.215) 14.947 25.241 ( 1.466 -4.304 -13.697) 14.432 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 16.088 0.000 21.150) 26.573 1.220 ( -4.274 0.000 30.399) 30.698 1.595 ( -4.681 0.000 -1.882) 5.045 2.130 ( -13.208 0.000 28.779) 31.666 2.278 ( 5.570 0.000 3.649) 6.659 2.498 ( -1.655 0.000 29.595) 29.642 2.744 ( -1.271 0.000 -0.383) 1.328 2.843 ( 0.306 0.000 0.829) 0.884 2.995 ( 2.421 0.000 -12.001) 12.243 3.328 ( 3.108 0.000 -6.954) 7.617 3.356 ( 0.709 0.000 -5.429) 5.475 3.924 ( -7.226 0.000 19.402) 20.704 4.103 ( 2.873 0.000 12.744) 13.063 4.247 ( 6.821 0.000 15.206) 16.665 4.268 ( -9.067 0.000 -11.633) 14.749 4.464 ( -1.958 0.000 3.901) 4.364 4.529 ( -4.666 0.000 -1.815) 5.007 4.584 ( -4.097 0.000 5.546) 6.895 4.776 ( 5.045 0.000 -4.524) 6.776 4.960 ( -3.494 0.000 -10.241) 10.821 5.231 ( 4.343 0.000 -14.213) 14.861 5.315 ( 4.756 0.000 -6.522) 8.072 5.561 ( -5.151 0.000 7.865) 9.402 5.661 ( 7.356 0.000 -6.725) 9.967 6.449 ( 1.734 0.000 -2.729) 3.233 6.628 ( 0.192 0.000 -2.860) 2.867 7.184 ( 10.373 0.000 7.632) 12.878 7.492 ( 1.568 0.000 2.440) 2.901 7.937 ( -7.584 0.000 1.581) 7.747 7.955 ( 5.497 0.000 -2.375) 5.988 8.079 ( 0.783 0.000 -1.676) 1.850 8.155 ( -1.310 0.000 -2.354) 2.694 8.439 ( -0.069 0.000 -1.673) 1.674 8.485 ( 0.126 0.000 -5.039) 5.041 9.108 ( 4.726 0.000 7.634) 8.979 9.646 ( 3.809 0.000 -3.343) 5.068 9.655 ( -8.436 0.000 13.842) 16.210 9.697 ( -6.582 0.000 -5.382) 8.502 9.853 ( 6.960 0.000 5.135) 8.649 9.944 ( 2.812 0.000 4.723) 5.497 10.469 ( 4.730 0.000 -8.601) 9.816 10.860 ( 7.777 0.000 -17.555) 19.200 11.046 ( 4.966 0.000 8.030) 9.441 11.422 ( -18.901 0.000 4.490) 19.427 11.677 ( -14.266 0.000 -5.901) 15.438 11.836 ( -2.051 0.000 -6.002) 6.343 11.892 ( -9.924 0.000 10.648) 14.556 12.193 ( 9.258 0.000 2.775) 9.665 12.937 ( 13.969 0.000 -0.772) 13.990 13.000 ( -28.130 0.000 7.028) 28.994 13.235 ( -7.511 0.000 2.961) 8.074 13.302 ( 2.669 0.000 -0.883) 2.812 13.852 ( 2.657 0.000 -3.726) 4.577 13.999 ( -11.301 0.000 -7.094) 13.343 15.167 ( 12.103 0.000 7.767) 14.381 15.226 ( 8.227 0.000 3.426) 8.912 15.946 ( 7.860 0.000 2.329) 8.198 16.388 ( -8.127 0.000 -11.445) 14.037 16.415 ( 2.130 0.000 11.460) 11.656 17.000 ( 4.594 0.000 -5.349) 7.051 17.708 ( -8.448 0.000 11.653) 14.393 18.080 ( 0.615 0.000 3.541) 3.594 18.304 ( 7.065 0.000 -0.324) 7.072 18.519 ( -3.538 0.000 -8.750) 9.438 19.112 ( -3.477 0.000 9.916) 10.508 19.605 ( 3.246 0.000 18.471) 18.754 19.726 ( -8.384 0.000 -9.172) 12.426 21.181 ( 11.175 0.000 -32.229) 34.112 23.541 ( 0.439 0.000 26.474) 26.478 24.000 ( -1.059 0.000 10.826) 10.877 24.736 ( 5.698 0.000 -17.098) 18.023 25.146 ( 1.353 0.000 -19.192) 19.240 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -9.387 0.000 18.380) 20.639 1.427 ( 19.898 0.000 17.817) 26.709 1.678 ( 9.219 0.000 7.503) 11.886 1.975 ( -7.305 0.000 14.060) 15.844 2.381 ( 3.258 0.000 5.436) 6.338 2.601 ( 0.366 0.000 11.027) 11.033 2.781 ( 7.582 0.000 17.134) 18.736 2.848 ( 0.999 0.000 0.659) 1.197 3.004 ( 2.376 0.000 -4.130) 4.765 3.366 ( 0.346 0.000 -3.852) 3.867 3.458 ( 8.592 0.000 -4.724) 9.805 3.825 ( -8.624 0.000 20.986) 22.689 4.086 ( -4.744 0.000 -12.147) 13.041 4.145 ( -2.484 0.000 10.737) 11.021 4.255 ( -6.878 0.000 14.082) 15.672 4.333 ( -11.031 0.000 -4.844) 12.048 4.364 ( -7.254 0.000 0.899) 7.309 4.701 ( 8.025 0.000 9.474) 12.416 4.882 ( 0.066 0.000 -7.892) 7.893 4.943 ( 9.534 0.000 -7.190) 11.941 5.249 ( 2.847 0.000 -11.832) 12.170 5.426 ( 7.703 0.000 -10.488) 13.013 5.456 ( -7.471 0.000 6.669) 10.014 5.785 ( 6.252 0.000 -5.194) 8.128 6.520 ( 5.650 0.000 0.799) 5.706 6.693 ( 7.378 0.000 -3.458) 8.148 7.339 ( 2.982 0.000 5.405) 6.173 7.560 ( 4.344 0.000 2.080) 4.816 7.732 ( -12.945 0.000 -1.786) 13.068 7.964 ( -5.427 0.000 -0.870) 5.496 8.097 ( 3.636 0.000 -9.438) 10.114 8.119 ( -0.387 0.000 -0.992) 1.065 8.445 ( 0.068 0.000 2.007) 2.008 8.458 ( -0.927 0.000 -6.377) 6.444 9.219 ( 1.989 0.000 10.621) 10.806 9.449 ( -12.881 0.000 9.200) 15.829 9.521 ( -8.542 0.000 -4.870) 9.833 9.716 ( 4.343 0.000 -6.318) 7.666 10.010 ( 4.150 0.000 2.875) 5.048 10.052 ( 5.896 0.000 8.180) 10.084 10.385 ( -14.901 0.000 -7.149) 16.528 10.673 ( -13.870 0.000 26.347) 29.775 10.838 ( -5.236 0.000 -19.118) 19.822 11.356 ( -13.162 0.000 -8.361) 15.593 11.543 ( 9.770 0.000 11.233) 14.887 11.731 ( -9.594 0.000 8.749) 12.984 11.888 ( 5.913 0.000 -3.332) 6.787 12.390 ( 10.269 0.000 1.642) 10.400 12.832 ( 1.396 0.000 1.664) 2.172 13.032 ( -8.374 0.000 0.020) 8.374 13.307 ( 16.659 0.000 5.829) 17.649 13.406 ( 7.674 0.000 1.564) 7.832 13.790 ( -6.767 0.000 -2.570) 7.238 13.960 ( 9.097 0.000 -1.794) 9.272 15.298 ( 0.028 0.000 -1.778) 1.778 15.479 ( 17.735 0.000 5.148) 18.467 16.134 ( -13.574 0.000 -13.164) 18.908 16.176 ( 13.416 0.000 0.035) 13.416 16.378 ( -8.256 0.000 9.527) 12.607 16.997 ( -3.661 0.000 -8.214) 8.993 17.573 ( -8.874 0.000 10.155) 13.486 18.084 ( -0.314 0.000 3.485) 3.499 18.481 ( 9.020 0.000 2.714) 9.419 18.501 ( 4.016 0.000 -7.987) 8.940 19.010 ( -9.672 0.000 10.045) 13.945 19.413 ( -18.405 0.000 0.678) 18.417 19.760 ( 5.565 0.000 18.569) 19.385 21.298 ( 10.794 0.000 -36.005) 37.588 23.386 ( -18.379 0.000 25.674) 31.575 24.091 ( 3.457 0.000 9.877) 10.465 24.764 ( 2.222 0.000 -16.640) 16.788 25.120 ( 2.536 0.000 -20.296) 20.454 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -3.696 0.000 16.447) 16.857 1.688 ( 1.240 0.000 15.712) 15.761 1.898 ( 9.975 0.000 10.422) 14.427 2.042 ( 10.685 0.000 10.283) 14.829 2.447 ( 2.764 0.000 3.960) 4.829 2.584 ( -1.052 0.000 -4.780) 4.894 2.858 ( -1.732 0.000 0.802) 1.908 2.972 ( 6.487 0.000 -16.960) 18.158 3.169 ( 11.296 0.000 38.185) 39.821 3.301 ( -6.210 0.000 -1.989) 6.521 3.486 ( -5.267 0.000 -2.568) 5.860 3.772 ( -4.872 0.000 13.797) 14.632 4.022 ( -10.895 0.000 17.807) 20.876 4.052 ( 3.692 0.000 -6.911) 7.835 4.187 ( -0.423 0.000 -8.621) 8.632 4.200 ( -4.110 0.000 13.954) 14.547 4.282 ( -1.155 0.000 2.899) 3.121 4.839 ( 3.643 0.000 10.841) 11.436 4.856 ( 1.247 0.000 -12.290) 12.353 5.098 ( 6.756 0.000 -3.879) 7.791 5.275 ( 3.839 0.000 -12.765) 13.329 5.352 ( -4.824 0.000 6.265) 7.907 5.508 ( 3.533 0.000 -9.588) 10.219 5.837 ( 1.428 0.000 -8.668) 8.785 6.641 ( 5.246 0.000 6.948) 8.706 6.869 ( 11.388 0.000 -3.574) 11.935 7.270 ( -14.456 0.000 9.177) 17.123 7.540 ( -3.150 0.000 -2.882) 4.270 7.646 ( 2.719 0.000 4.210) 5.012 7.789 ( -10.140 0.000 -3.318) 10.669 8.109 ( -1.249 0.000 -1.164) 1.707 8.137 ( 2.891 0.000 -10.971) 11.346 8.428 ( -0.235 0.000 -5.105) 5.110 8.473 ( 3.306 0.000 -0.931) 3.435 9.139 ( -10.273 0.000 18.294) 20.981 9.377 ( -4.481 0.000 -5.010) 6.722 9.405 ( 2.985 0.000 2.188) 3.701 9.763 ( 2.615 0.000 -7.365) 7.815 9.911 ( -12.130 0.000 6.407) 13.718 10.133 ( -8.211 0.000 -6.145) 10.256 10.190 ( 5.156 0.000 7.009) 8.701 10.553 ( -15.554 0.000 -17.446) 23.373 10.779 ( 9.544 0.000 23.897) 25.732 11.235 ( 2.718 0.000 -10.807) 11.144 11.515 ( -10.331 0.000 9.963) 14.352 11.772 ( 6.065 0.000 11.157) 12.699 11.974 ( 3.399 0.000 -0.071) 3.399 12.565 ( 7.556 0.000 -3.843) 8.477 12.843 ( -10.473 0.000 2.046) 10.671 12.890 ( 4.013 0.000 -4.372) 5.934 13.505 ( -0.139 0.000 6.907) 6.908 13.586 ( 10.210 0.000 1.152) 10.275 13.882 ( 15.798 0.000 4.126) 16.328 14.161 ( 11.815 0.000 -0.751) 11.839 15.250 ( -4.679 0.000 0.921) 4.769 15.808 ( -2.176 0.000 1.262) 2.516 15.880 ( 9.644 0.000 -12.189) 15.543 16.117 ( -13.500 0.000 -1.882) 13.630 16.490 ( 12.792 0.000 5.497) 13.923 16.807 ( -12.628 0.000 -10.547) 16.453 17.452 ( -6.643 0.000 11.669) 13.428 18.140 ( 5.597 0.000 3.349) 6.523 18.581 ( 5.569 0.000 -5.567) 7.875 18.593 ( 0.482 0.000 6.816) 6.833 18.825 ( -12.248 0.000 8.872) 15.124 19.144 ( -9.553 0.000 2.479) 9.870 19.885 ( 1.300 0.000 17.743) 17.790 21.363 ( 7.081 0.000 -34.219) 34.944 23.129 ( -16.032 0.000 28.081) 32.335 24.156 ( 0.833 0.000 8.409) 8.450 24.721 ( -0.699 0.000 -18.848) 18.861 25.126 ( 4.287 0.000 -20.128) 20.580 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.544 0.000 18.888) 18.896 1.687 ( -3.908 0.000 9.448) 10.224 2.083 ( 4.903 0.000 13.655) 14.508 2.298 ( 10.481 0.000 13.903) 17.411 2.500 ( 1.581 0.000 -2.415) 2.887 2.550 ( -1.332 0.000 -2.851) 3.147 2.762 ( -7.763 0.000 -1.762) 7.960 3.006 ( 2.069 0.000 -13.153) 13.315 3.183 ( -3.488 0.000 1.217) 3.694 3.286 ( -8.389 0.000 0.956) 8.443 3.461 ( -9.031 0.000 15.340) 17.801 3.612 ( -1.117 0.000 17.060) 17.097 3.983 ( -2.917 0.000 23.063) 23.246 4.148 ( 7.905 0.000 -4.642) 9.167 4.187 ( -1.256 0.000 15.880) 15.930 4.262 ( 8.275 0.000 -5.150) 9.746 4.305 ( 1.573 0.000 3.650) 3.974 4.860 ( 3.054 0.000 -13.442) 13.785 4.925 ( 1.825 0.000 11.471) 11.615 5.150 ( 0.578 0.000 -5.729) 5.759 5.322 ( 4.235 0.000 -10.744) 11.548 5.330 ( 1.015 0.000 5.687) 5.777 5.491 ( -2.001 0.000 -9.056) 9.275 5.795 ( -2.195 0.000 -13.470) 13.648 6.745 ( 2.665 0.000 11.059) 11.376 6.942 ( -20.082 0.000 9.109) 22.051 7.063 ( 8.953 0.000 -3.193) 9.505 7.540 ( -11.075 0.000 4.385) 11.912 7.551 ( 2.881 0.000 2.192) 3.620 7.744 ( 3.484 0.000 -4.755) 5.895 8.068 ( -1.865 0.000 -2.423) 3.058 8.144 ( 1.463 0.000 -8.737) 8.858 8.411 ( -0.559 0.000 -3.435) 3.480 8.534 ( 2.534 0.000 -3.619) 4.418 9.075 ( -1.450 0.000 16.747) 16.810 9.332 ( 1.231 0.000 -5.029) 5.177 9.438 ( -0.662 0.000 -4.435) 4.484 9.733 ( -8.114 0.000 9.350) 12.379 9.773 ( 0.966 0.000 -7.172) 7.237 9.959 ( -7.682 0.000 -4.582) 8.945 10.187 ( -7.870 0.000 -7.029) 10.551 10.349 ( 1.826 0.000 -5.983) 6.256 11.056 ( 10.917 0.000 22.757) 25.240 11.333 ( 9.308 0.000 -7.499) 11.953 11.352 ( -9.560 0.000 7.228) 11.985 11.914 ( 5.554 0.000 11.340) 12.627 12.028 ( 2.647 0.000 1.454) 3.020 12.560 ( -6.473 0.000 -11.211) 12.946 12.748 ( 0.384 0.000 4.658) 4.673 12.957 ( 4.695 0.000 -4.519) 6.516 13.494 ( -2.321 0.000 8.528) 8.838 13.776 ( 9.166 0.000 0.193) 9.168 14.162 ( 9.011 0.000 5.614) 10.617 14.383 ( 11.442 0.000 -1.778) 11.579 15.105 ( -12.480 0.000 7.222) 14.419 15.621 ( -5.907 0.000 -9.289) 11.009 15.899 ( -6.618 0.000 -1.986) 6.910 16.198 ( 12.336 0.000 -5.801) 13.632 16.531 ( -8.388 0.000 -6.764) 10.775 16.680 ( 4.977 0.000 -5.599) 7.491 17.437 ( 1.682 0.000 20.406) 20.475 18.296 ( 8.197 0.000 4.079) 9.156 18.571 ( -3.798 0.000 9.537) 10.265 18.574 ( -9.381 0.000 -0.010) 9.381 18.708 ( 2.952 0.000 3.224) 4.372 19.028 ( -4.727 0.000 -0.566) 4.761 19.907 ( -4.290 0.000 16.293) 16.849 21.364 ( 3.569 0.000 -31.694) 31.895 22.960 ( -10.707 0.000 28.781) 30.708 24.182 ( -0.514 0.000 7.646) 7.663 24.648 ( -0.145 0.000 -21.319) 21.320 25.152 ( 4.480 0.000 -19.412) 19.922 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -2.415 0.000 22.751) 22.878 1.575 ( -11.100 0.000 2.697) 11.423 2.141 ( -3.115 0.000 13.590) 13.943 2.459 ( -7.007 0.000 -5.365) 8.825 2.501 ( 4.865 0.000 14.864) 15.640 2.520 ( -1.881 0.000 12.130) 12.275 2.612 ( -2.450 0.000 -5.267) 5.809 2.944 ( -4.906 0.000 -6.916) 8.479 3.049 ( -22.221 0.000 15.745) 27.233 3.223 ( 5.708 0.000 3.900) 6.914 3.258 ( 1.150 0.000 -9.785) 9.852 3.767 ( 3.956 0.000 11.992) 12.628 3.994 ( -2.223 0.000 19.289) 19.417 4.231 ( -0.614 0.000 14.356) 14.369 4.301 ( 8.621 0.000 -4.600) 9.771 4.345 ( 1.131 0.000 8.430) 8.506 4.392 ( 5.511 0.000 -0.829) 5.573 4.872 ( 1.519 0.000 -13.301) 13.387 4.950 ( -3.071 0.000 10.057) 10.515 5.127 ( 0.279 0.000 -7.615) 7.621 5.319 ( -3.373 0.000 -4.354) 5.508 5.421 ( 6.087 0.000 4.559) 7.605 5.431 ( 0.928 0.000 -13.557) 13.589 5.682 ( -4.514 0.000 -15.756) 16.390 6.623 ( -14.801 0.000 11.205) 18.564 6.813 ( -0.121 0.000 14.656) 14.657 7.102 ( -6.194 0.000 -1.693) 6.421 7.447 ( 2.613 0.000 1.526) 3.026 7.646 ( 5.917 0.000 4.881) 7.671 7.756 ( -1.645 0.000 -4.056) 4.377 8.052 ( 1.615 0.000 -4.254) 4.551 8.142 ( 0.342 0.000 -6.260) 6.270 8.395 ( 0.701 0.000 -2.888) 2.972 8.542 ( 0.127 0.000 -2.329) 2.332 9.148 ( 0.442 0.000 15.891) 15.897 9.345 ( -2.882 0.000 -8.976) 9.428 9.382 ( 5.153 0.000 -4.692) 6.969 9.694 ( 0.657 0.000 11.512) 11.530 9.769 ( 0.324 0.000 -3.702) 3.716 9.842 ( -3.434 0.000 -2.887) 4.486 10.048 ( -3.136 0.000 -9.121) 9.645 10.413 ( 5.674 0.000 -7.070) 9.065 11.168 ( -10.113 0.000 8.480) 13.198 11.326 ( 8.858 0.000 16.463) 18.695 11.511 ( 10.725 0.000 -3.542) 11.295 12.043 ( 3.878 0.000 11.470) 12.108 12.094 ( 3.646 0.000 1.359) 3.892 12.389 ( -7.077 0.000 -10.481) 12.646 12.750 ( -1.955 0.000 -1.228) 2.309 13.044 ( 5.614 0.000 -3.993) 6.890 13.465 ( -3.379 0.000 8.145) 8.818 13.919 ( 5.720 0.000 -2.280) 6.158 14.241 ( -1.050 0.000 5.248) 5.352 14.551 ( 5.564 0.000 -6.002) 8.184 14.866 ( -12.506 0.000 13.079) 18.096 15.488 ( -8.602 0.000 -7.974) 11.730 15.871 ( 2.693 0.000 1.482) 3.074 16.182 ( 0.055 0.000 -8.672) 8.672 16.608 ( -8.536 0.000 -15.219) 17.449 16.641 ( 12.266 0.000 -1.981) 12.424 17.631 ( 8.815 0.000 25.396) 26.882 18.294 ( -9.591 0.000 -0.540) 9.607 18.535 ( -3.100 0.000 5.444) 6.265 18.538 ( 6.164 0.000 4.620) 7.703 18.812 ( 6.080 0.000 2.648) 6.632 18.955 ( -0.873 0.000 2.481) 2.631 19.828 ( -8.673 0.000 15.515) 17.774 21.314 ( 0.816 0.000 -29.101) 29.113 22.897 ( -5.325 0.000 31.127) 31.579 24.183 ( -1.791 0.000 6.971) 7.197 24.603 ( 2.478 0.000 -22.076) 22.214 25.174 ( 3.815 0.000 -18.899) 19.280 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -4.270 0.000 27.341) 27.672 1.259 ( -21.766 0.000 0.781) 21.780 2.079 ( -7.891 0.000 8.277) 11.435 2.230 ( -10.331 0.000 -3.766) 10.996 2.457 ( -12.837 0.000 39.368) 41.408 2.609 ( -4.422 0.000 19.099) 19.604 2.668 ( 6.759 0.000 -3.908) 7.807 2.725 ( -6.327 0.000 2.699) 6.879 2.885 ( 0.906 0.000 -8.813) 8.859 3.348 ( 9.302 0.000 -8.729) 12.757 3.348 ( 4.728 0.000 2.584) 5.388 3.810 ( -1.152 0.000 4.678) 4.818 4.019 ( -1.209 0.000 17.225) 17.267 4.187 ( -7.616 0.000 12.574) 14.701 4.395 ( 2.163 0.000 -2.240) 3.113 4.414 ( 2.356 0.000 9.942) 10.218 4.488 ( 5.458 0.000 -2.824) 6.146 4.823 ( -1.809 0.000 -13.739) 13.858 4.869 ( -7.784 0.000 6.930) 10.422 5.124 ( 1.478 0.000 -8.843) 8.966 5.216 ( -5.219 0.000 -1.463) 5.420 5.405 ( -1.079 0.000 -13.388) 13.432 5.539 ( 4.004 0.000 4.761) 6.221 5.576 ( -0.389 0.000 -15.061) 15.066 6.476 ( -4.698 0.000 12.138) 13.015 6.848 ( -0.072 0.000 16.367) 16.368 6.902 ( -11.731 0.000 -1.545) 11.832 7.542 ( 1.589 0.000 3.397) 3.750 7.704 ( 1.719 0.000 -5.944) 6.187 7.801 ( 8.238 0.000 6.912) 10.754 8.094 ( 3.949 0.000 -5.918) 7.114 8.111 ( -2.352 0.000 -1.116) 2.603 8.431 ( 3.318 0.000 -2.221) 3.993 8.539 ( 0.092 0.000 -5.367) 5.368 9.072 ( -6.777 0.000 5.929) 9.004 9.444 ( 8.660 0.000 10.046) 13.264 9.481 ( 6.184 0.000 -4.081) 7.409 9.761 ( -0.422 0.000 0.357) 0.553 9.796 ( -0.186 0.000 7.959) 7.961 9.832 ( 10.957 0.000 -0.799) 10.986 9.995 ( -0.954 0.000 -6.648) 6.716 10.523 ( 9.336 0.000 -12.563) 15.652 10.988 ( -9.513 0.000 2.775) 9.909 11.521 ( 5.774 0.000 15.853) 16.872 11.710 ( 10.694 0.000 -0.612) 10.712 12.107 ( -1.205 0.000 11.520) 11.583 12.144 ( 0.392 0.000 -3.714) 3.734 12.207 ( -9.998 0.000 -7.880) 12.731 12.691 ( -1.650 0.000 -2.596) 3.076 13.139 ( 5.498 0.000 -3.892) 6.736 13.422 ( -3.228 0.000 5.133) 6.064 13.950 ( -1.644 0.000 -6.838) 7.033 14.217 ( -1.795 0.000 3.816) 4.217 14.466 ( -11.107 0.000 -11.753) 16.171 14.828 ( 2.088 0.000 13.915) 14.071 15.230 ( -14.021 0.000 -4.255) 14.652 15.959 ( 3.557 0.000 4.239) 5.533 16.299 ( 11.628 0.000 -5.604) 12.908 16.328 ( -13.200 0.000 -11.800) 17.706 16.818 ( 6.961 0.000 -4.176) 8.118 17.809 ( 1.321 0.000 19.243) 19.289 18.125 ( -6.438 0.000 -1.618) 6.638 18.422 ( -8.578 0.000 -3.896) 9.421 18.645 ( 2.686 0.000 2.038) 3.372 18.943 ( 6.331 0.000 4.654) 7.857 19.152 ( 20.123 0.000 10.538) 22.716 19.691 ( -10.124 0.000 16.272) 19.165 21.226 ( -1.092 0.000 -26.243) 26.265 22.961 ( 2.193 0.000 36.988) 37.053 24.153 ( -3.564 0.000 6.343) 7.276 24.612 ( 5.249 0.000 -21.067) 21.711 25.182 ( 2.892 0.000 -18.549) 18.773 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -13.554 0.000 12.904) 18.714 1.151 ( -1.201 0.000 30.850) 30.873 1.827 ( -16.021 0.000 0.342) 16.025 2.183 ( 2.834 0.000 1.036) 3.018 2.279 ( -16.242 0.000 47.504) 50.204 2.529 ( -6.132 0.000 13.274) 14.622 2.741 ( 1.579 0.000 0.703) 1.728 2.787 ( 5.483 0.000 -0.538) 5.510 2.935 ( 5.995 0.000 -8.628) 10.507 3.382 ( -0.922 0.000 -2.073) 2.269 3.418 ( -3.269 0.000 -12.874) 13.282 3.864 ( 9.459 0.000 6.586) 11.526 4.018 ( -5.340 0.000 22.356) 22.985 4.122 ( -1.371 0.000 16.833) 16.889 4.413 ( -0.671 0.000 -5.047) 5.091 4.466 ( 0.198 0.000 6.790) 6.793 4.524 ( 0.247 0.000 -2.778) 2.789 4.720 ( -9.195 0.000 5.001) 10.467 4.769 ( 0.940 0.000 -12.523) 12.559 5.089 ( -5.747 0.000 -6.584) 8.739 5.159 ( 3.467 0.000 -5.162) 6.218 5.328 ( -1.653 0.000 -11.820) 11.935 5.578 ( 4.132 0.000 -11.458) 12.180 5.591 ( -0.492 0.000 7.504) 7.520 6.455 ( -1.169 0.000 1.728) 2.086 6.706 ( -7.420 0.000 -2.088) 7.709 6.961 ( 7.370 0.000 16.597) 18.160 7.500 ( -3.174 0.000 2.747) 4.198 7.821 ( 8.795 0.000 -4.198) 9.745 7.970 ( 5.537 0.000 5.405) 7.738 8.061 ( -2.284 0.000 3.032) 3.797 8.148 ( 2.931 0.000 -4.913) 5.721 8.478 ( 1.969 0.000 -2.824) 3.442 8.488 ( -3.064 0.000 -6.723) 7.388 9.031 ( 0.540 0.000 6.492) 6.515 9.576 ( 4.850 0.000 -3.785) 6.151 9.616 ( 4.078 0.000 19.855) 20.270 9.763 ( -0.017 0.000 0.626) 0.626 9.804 ( 0.498 0.000 -1.429) 1.513 9.945 ( -2.507 0.000 -2.661) 3.656 10.195 ( 22.941 0.000 4.143) 23.312 10.696 ( 12.839 0.000 -15.882) 20.422 10.874 ( -0.458 0.000 0.568) 0.729 11.620 ( -0.664 0.000 10.068) 10.090 11.873 ( 1.481 0.000 -1.146) 1.872 11.949 ( -8.489 0.000 -11.355) 14.178 12.053 ( -8.215 0.000 10.754) 13.532 12.100 ( -3.337 0.000 1.335) 3.594 12.734 ( 7.131 0.000 -1.535) 7.294 13.219 ( 3.548 0.000 -2.373) 4.268 13.356 ( -5.434 0.000 2.478) 5.973 13.815 ( -19.255 0.000 -14.521) 24.117 13.958 ( -28.485 0.000 -13.488) 31.517 14.178 ( -4.337 0.000 -3.813) 5.775 14.994 ( 10.593 0.000 14.887) 18.271 15.044 ( -2.952 0.000 4.564) 5.435 15.913 ( -4.272 0.000 -3.022) 5.233 16.275 ( 5.963 0.000 11.660) 13.096 16.461 ( 4.596 0.000 -7.840) 9.088 16.907 ( 5.308 0.000 -4.642) 7.051 17.808 ( -5.610 0.000 14.052) 15.131 18.060 ( -0.346 0.000 0.226) 0.413 18.275 ( -3.663 0.000 -3.450) 5.032 18.629 ( -3.977 0.000 -3.594) 5.360 19.069 ( 4.456 0.000 7.371) 8.613 19.578 ( -6.042 0.000 17.909) 18.901 19.621 ( 21.302 0.000 -3.525) 21.592 21.139 ( 1.443 0.000 -25.008) 25.049 23.230 ( 13.578 0.000 40.041) 42.281 24.079 ( -6.320 0.000 6.689) 9.203 24.668 ( 6.649 0.000 -19.061) 20.187 25.172 ( 1.906 0.000 -18.489) 18.587 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 13.147 4.259 19.307) 23.743 1.373 ( -5.352 11.562 20.571) 24.197 1.724 ( -2.213 10.214 -1.109) 10.509 2.260 ( -9.494 1.923 11.466) 15.010 2.283 ( -1.541 5.680 6.417) 8.707 2.518 ( 0.432 6.555 31.439) 32.118 2.727 ( 1.716 0.301 -1.215) 2.124 2.890 ( -1.420 3.437 3.642) 5.205 3.025 ( 3.243 3.580 -0.700) 4.881 3.335 ( 5.069 1.478 -5.712) 7.778 3.441 ( -0.334 5.702 -5.980) 8.270 3.799 ( -6.305 -10.511 14.409) 18.917 3.955 ( 2.549 -13.466 6.378) 15.116 4.091 ( -2.592 -9.866 4.623) 11.199 4.213 ( 5.065 -5.229 7.764) 10.643 4.428 ( -3.931 -6.685 1.060) 7.827 4.458 ( -8.476 -2.221 0.638) 8.785 4.622 ( -6.244 0.414 -1.373) 6.407 4.814 ( 8.048 4.308 -0.828) 9.166 5.014 ( -0.722 4.235 -8.081) 9.152 5.308 ( 4.294 6.080 -11.077) 13.345 5.379 ( 2.439 4.408 -5.664) 7.580 5.542 ( -2.998 1.276 4.445) 5.511 5.721 ( 3.556 3.656 -4.790) 6.997 6.449 ( 0.992 1.349 -0.274) 1.697 6.609 ( 0.144 -1.391 -3.107) 3.407 7.132 ( 6.852 -2.920 12.079) 14.191 7.500 ( 1.264 -0.287 2.244) 2.591 7.952 ( 2.370 -3.487 -0.909) 4.313 7.981 ( -3.983 5.003 -0.706) 6.434 8.194 ( 1.266 15.050 -0.039) 15.103 8.314 ( 0.134 7.711 -4.591) 8.975 8.464 ( 1.671 1.579 -2.360) 3.295 8.514 ( -1.316 4.379 -3.707) 5.886 9.077 ( 1.907 -4.797 12.147) 13.198 9.487 ( -0.542 -8.553 7.115) 11.139 9.652 ( 1.783 0.305 -6.184) 6.443 9.702 ( -4.077 2.210 8.723) 9.879 9.804 ( -5.309 -2.228 -1.392) 5.924 10.071 ( 5.911 6.380 10.605) 13.715 10.515 ( -1.415 2.378 -8.136) 8.594 10.700 ( 8.315 -11.205 -9.906) 17.112 11.160 ( 11.344 6.390 2.009) 13.174 11.477 ( -13.969 4.541 4.132) 15.258 11.651 ( -13.345 -1.617 -1.565) 13.533 11.860 ( -2.669 5.658 -6.878) 9.298 11.976 ( -7.958 4.210 7.961) 12.018 12.158 ( 5.823 -2.422 2.096) 6.646 12.640 ( 2.399 -10.025 11.112) 15.157 12.977 ( -9.660 -2.957 -4.604) 11.102 13.268 ( -3.508 -2.972 -1.535) 4.847 13.346 ( -3.408 -1.079 -3.151) 4.765 14.123 ( 1.054 18.392 -1.988) 18.530 14.261 ( -12.802 23.557 -9.989) 28.611 15.113 ( 11.855 -4.621 9.115) 15.652 15.240 ( 8.903 1.087 1.937) 9.175 15.906 ( 4.464 -4.075 2.956) 6.728 16.270 ( -4.648 -6.596 -1.507) 8.209 16.487 ( -2.021 1.771 0.171) 2.693 16.891 ( 6.102 -9.637 -3.814) 12.027 17.685 ( -7.537 -2.874 11.189) 13.793 17.999 ( 0.343 -6.707 5.798) 8.872 18.287 ( 4.270 -0.936 -0.744) 4.435 18.532 ( -2.125 0.817 -8.214) 8.524 19.095 ( -3.226 -1.305 9.676) 10.283 19.571 ( 2.348 -3.335 17.958) 18.415 19.732 ( -7.811 0.743 -9.916) 12.645 21.028 ( 13.197 -12.804 -26.255) 32.053 23.397 ( -0.566 -8.824 31.023) 32.259 23.969 ( -2.328 -2.888 10.353) 10.997 24.779 ( 6.494 2.317 -19.638) 20.813 25.120 ( 1.275 -2.477 -19.983) 20.176 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -4.716 13.949 11.581) 18.733 1.443 ( 22.465 0.889 16.033) 27.614 1.784 ( 5.034 8.685 7.330) 12.430 2.104 ( -6.700 9.000 10.865) 15.619 2.333 ( 1.905 -0.892 6.404) 6.740 2.576 ( -1.091 -1.683 5.251) 5.621 2.815 ( 7.446 2.532 3.352) 8.550 2.847 ( -4.258 0.579 5.383) 6.888 3.105 ( 4.442 8.202 11.222) 14.592 3.389 ( 0.196 0.038 -2.448) 2.456 3.485 ( 3.946 3.266 -5.463) 7.489 3.720 ( -4.427 -6.954 15.109) 17.212 3.989 ( -0.614 -10.295 1.588) 10.435 4.021 ( -2.523 -9.575 2.159) 10.134 4.183 ( -8.429 -6.392 6.403) 12.365 4.290 ( -7.389 1.459 2.649) 7.984 4.491 ( -6.225 4.675 0.563) 7.806 4.530 ( 8.548 -8.009 3.795) 12.313 4.994 ( 4.953 5.541 -10.105) 12.544 5.016 ( 7.110 5.049 0.819) 8.759 5.290 ( -1.911 1.331 -5.482) 5.956 5.423 ( 3.076 2.820 -11.069) 11.830 5.521 ( 0.289 5.885 2.790) 6.519 5.790 ( 4.696 -0.383 -5.914) 7.561 6.518 ( 5.427 1.103 2.718) 6.170 6.673 ( 7.451 -1.186 -3.329) 8.247 7.283 ( 4.673 -3.709 9.253) 11.010 7.552 ( 3.139 -1.557 1.696) 3.893 7.806 ( -11.715 3.664 -2.130) 12.458 7.948 ( -3.930 -0.171 -1.376) 4.167 8.169 ( -2.602 11.155 -6.211) 13.030 8.312 ( 1.495 10.795 -1.398) 10.987 8.437 ( -3.814 3.287 -0.682) 5.081 8.532 ( 3.837 3.262 -5.428) 7.405 9.150 ( -0.153 -7.215 15.011) 16.656 9.445 ( -4.510 0.017 4.989) 6.726 9.535 ( -8.274 1.776 0.448) 8.474 9.723 ( -1.321 -2.181 3.624) 4.432 9.757 ( 3.751 -5.114 -2.706) 6.895 10.260 ( 8.468 4.952 12.181) 15.640 10.381 ( -10.336 -0.876 -8.637) 13.498 10.734 ( -1.938 -5.592 -10.971) 12.465 10.897 ( -19.636 15.962 8.145) 26.584 11.357 ( -12.567 0.585 -5.463) 13.716 11.566 ( 9.014 2.678 8.435) 12.632 11.767 ( -7.763 3.144 5.143) 9.829 11.969 ( 3.673 6.736 -0.191) 7.675 12.307 ( 8.681 -7.093 2.463) 11.477 12.696 ( 1.108 -4.256 2.972) 5.308 13.092 ( -2.874 -9.080 1.872) 9.706 13.118 ( 13.168 -2.895 0.385) 13.487 13.412 ( 5.774 -0.497 -0.362) 5.807 13.963 ( -11.021 14.291 -2.064) 18.165 14.220 ( 5.522 18.316 -1.014) 19.157 15.304 ( 1.515 0.475 -2.342) 2.829 15.470 ( 18.638 -0.172 5.298) 19.377 15.897 ( -9.568 -14.232 -4.306) 17.681 16.246 ( 5.347 -3.211 6.533) 9.033 16.364 ( -8.960 -0.322 -5.277) 10.403 16.954 ( 0.418 -3.455 -5.646) 6.633 17.570 ( -7.952 -0.641 10.097) 12.869 18.021 ( 0.170 -5.484 6.056) 8.171 18.370 ( 5.746 -6.066 -3.463) 9.045 18.560 ( 5.156 1.700 -2.417) 5.943 18.997 ( -9.341 -0.903 9.517) 13.366 19.410 ( -17.273 -0.512 -0.676) 17.293 19.735 ( 5.387 -1.938 16.031) 17.023 21.209 ( 13.027 -8.233 -32.380) 35.860 23.320 ( -14.007 -4.722 27.381) 31.116 24.021 ( 2.690 -5.329 10.315) 11.918 24.800 ( 1.564 2.009 -18.618) 18.792 25.098 ( 3.178 -2.074 -20.736) 21.080 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.378 18.604 10.477) 21.355 1.798 ( 2.933 9.996 14.770) 18.074 1.943 ( 13.857 -0.135 9.269) 16.672 2.123 ( 5.913 8.110 7.868) 12.753 2.389 ( 2.360 -3.343 5.542) 6.889 2.552 ( -1.030 -2.563 -3.462) 4.429 2.755 ( -6.695 -5.325 1.735) 8.729 2.942 ( 5.658 -3.735 -11.999) 13.782 3.284 ( 7.043 6.903 29.916) 31.499 3.327 ( -5.538 0.390 -0.736) 5.600 3.432 ( -6.615 -0.703 -1.705) 6.868 3.750 ( 0.582 -2.342 10.151) 10.434 3.973 ( -7.677 -4.691 9.137) 12.823 4.001 ( 1.848 -3.438 3.647) 5.343 4.086 ( -0.979 -7.631 5.731) 9.594 4.216 ( -0.412 1.728 1.740) 2.487 4.409 ( -1.635 7.910 2.447) 8.440 4.682 ( 6.809 -4.589 -1.210) 8.300 5.017 ( 1.686 6.872 -3.735) 8.001 5.135 ( 2.014 2.417 -1.784) 3.617 5.273 ( 3.088 -0.543 -1.179) 3.350 5.430 ( 0.633 8.104 -6.931) 10.683 5.542 ( 1.550 3.145 -6.584) 7.460 5.830 ( 1.367 -1.521 -8.909) 9.140 6.647 ( 6.106 1.310 7.154) 9.496 6.849 ( 11.232 -1.092 -3.221) 11.736 7.291 ( -9.700 1.394 10.233) 14.168 7.590 ( -6.077 2.176 -0.546) 6.478 7.631 ( 3.032 -0.893 2.421) 3.981 7.799 ( -9.595 2.216 -2.637) 10.195 8.122 ( 0.212 0.917 -10.442) 10.484 8.324 ( -0.930 15.777 -0.155) 15.805 8.357 ( -3.309 0.219 0.204) 3.323 8.599 ( 5.148 4.819 -7.731) 10.464 9.136 ( -4.636 -0.837 16.369) 17.033 9.379 ( -5.091 2.146 -1.906) 5.845 9.450 ( 1.502 2.212 2.350) 3.560 9.701 ( -1.802 -6.676 8.550) 10.996 9.853 ( 5.425 -0.415 -5.499) 7.736 10.073 ( -15.802 0.066 -3.867) 16.268 10.377 ( -4.516 2.099 -1.813) 5.300 10.580 ( -6.023 8.053 -9.763) 14.016 10.811 ( 5.048 3.769 14.904) 16.181 11.233 ( 2.114 0.287 -6.146) 6.506 11.557 ( -9.674 3.756 7.951) 13.073 11.793 ( 5.509 1.854 10.174) 11.717 12.011 ( 0.721 3.418 0.678) 3.559 12.476 ( 7.944 -9.069 0.749) 12.080 12.684 ( -4.086 -5.136 -2.701) 7.097 12.934 ( -4.690 -3.114 -1.560) 5.842 13.488 ( 6.248 -0.012 5.659) 8.430 13.606 ( 20.214 -5.427 5.208) 21.568 13.825 ( -1.283 5.688 -0.991) 5.914 14.350 ( 7.427 11.236 -0.349) 13.473 15.265 ( -5.675 1.033 1.386) 5.932 15.640 ( -12.330 -14.325 -8.337) 20.657 15.850 ( 17.808 0.585 4.031) 18.268 16.096 ( -10.192 -6.558 -2.789) 12.437 16.475 ( 9.849 -0.032 -0.831) 9.884 16.857 ( -7.320 3.746 -7.029) 10.818 17.455 ( -6.706 0.263 11.495) 13.310 18.078 ( 4.392 -5.132 7.055) 9.767 18.487 ( 7.050 -6.767 -3.364) 10.335 18.621 ( 0.150 0.720 2.308) 2.422 18.811 ( -12.894 -1.068 8.685) 15.583 19.154 ( -8.535 0.586 -0.043) 8.555 19.856 ( 1.584 -2.443 16.158) 16.418 21.308 ( 7.810 -5.474 -32.607) 33.973 23.125 ( -13.822 -0.124 27.205) 30.515 24.089 ( 1.330 -5.600 8.779) 10.498 24.740 ( -1.266 1.107 -19.621) 19.693 25.115 ( 4.832 -1.110 -20.570) 21.159 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.307 20.320 12.346) 23.778 1.793 ( -4.593 9.992 10.230) 15.019 2.185 ( 4.717 5.037 10.342) 12.433 2.320 ( 9.816 2.016 12.542) 16.054 2.449 ( 1.068 -6.675 1.665) 6.962 2.527 ( 0.062 -1.458 -1.101) 1.828 2.620 ( -5.015 -5.676 -4.269) 8.694 2.987 ( 3.577 -3.737 -13.841) 14.777 3.164 ( -8.804 -2.520 4.745) 10.314 3.276 ( -8.400 1.704 -1.324) 8.673 3.547 ( 9.341 0.713 21.356) 23.321 3.638 ( -15.940 8.548 7.850) 19.718 3.904 ( -1.984 -6.893 17.758) 19.152 4.066 ( 2.611 -1.758 9.271) 9.791 4.146 ( 4.200 -6.968 5.899) 10.050 4.270 ( 4.737 -0.505 0.833) 4.836 4.441 ( 2.871 8.387 1.746) 9.035 4.798 ( 6.998 -0.954 -6.972) 9.924 5.030 ( -0.454 7.318 -0.314) 7.339 5.124 ( -1.687 -2.686 1.383) 3.460 5.349 ( 2.545 2.367 1.730) 3.883 5.418 ( 1.222 8.294 -7.014) 10.930 5.534 ( 1.166 3.748 -10.934) 11.617 5.783 ( -2.857 -1.764 -13.181) 13.602 6.771 ( 3.487 2.485 10.043) 10.918 7.014 ( -16.217 5.569 8.740) 19.246 7.042 ( 6.378 -0.548 -1.826) 6.657 7.496 ( -7.091 -2.047 5.493) 9.200 7.648 ( -1.204 5.553 -0.038) 5.682 7.731 ( 3.877 -0.315 -1.042) 4.027 8.097 ( 0.415 -4.053 -10.491) 11.255 8.272 ( -2.449 14.444 -3.550) 15.074 8.339 ( 0.229 1.226 2.318) 2.632 8.654 ( 2.015 5.686 -7.835) 9.888 9.120 ( -1.727 3.869 13.567) 14.214 9.332 ( 1.822 1.287 -1.664) 2.783 9.500 ( 2.142 3.511 -2.027) 4.585 9.700 ( -1.766 -4.229 7.258) 8.584 9.767 ( -12.780 0.702 1.495) 12.886 9.923 ( 2.001 0.046 -6.999) 7.280 10.192 ( -6.636 -0.261 -10.500) 12.424 10.500 ( -2.134 13.227 -5.738) 14.575 11.034 ( 11.160 -3.016 11.732) 16.470 11.330 ( 1.492 2.016 7.311) 7.729 11.409 ( -1.977 3.313 -0.388) 3.877 11.913 ( 3.875 0.108 10.730) 11.409 12.023 ( 0.729 -0.602 2.626) 2.791 12.531 ( -8.136 -3.382 -4.933) 10.098 12.596 ( 4.054 -10.472 0.559) 11.243 12.929 ( 3.139 -4.503 -4.083) 6.841 13.511 ( -3.615 2.292 9.015) 9.979 13.843 ( 7.278 5.151 -0.321) 8.922 14.042 ( 15.464 -7.943 5.332) 18.184 14.470 ( 5.443 5.193 -2.606) 7.961 15.057 ( -16.912 -6.087 6.529) 19.123 15.447 ( -4.361 -11.434 -8.802) 15.074 15.947 ( 0.145 0.922 2.090) 2.289 16.189 ( 7.746 -1.071 -5.662) 9.655 16.492 ( -2.854 0.329 -5.863) 6.529 16.778 ( 1.065 5.941 -7.248) 9.432 17.436 ( 1.318 -0.123 19.737) 19.781 18.218 ( 6.931 -6.594 9.361) 13.385 18.519 ( -11.508 -2.756 0.597) 11.848 18.594 ( 1.207 -0.655 2.231) 2.620 18.669 ( 0.752 -3.125 5.120) 6.045 19.051 ( -3.337 1.731 -2.408) 4.464 19.881 ( -3.905 -2.272 15.307) 15.960 21.318 ( 3.411 -4.797 -31.084) 31.636 22.983 ( -9.472 2.201 27.444) 29.116 24.125 ( -0.091 -5.038 7.878) 9.352 24.658 ( -0.420 0.737 -21.322) 21.339 25.146 ( 4.642 -0.757 -20.066) 20.610 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -2.455 18.901 14.615) 24.018 1.670 ( -11.835 9.201 3.233) 15.336 2.190 ( -5.402 -0.805 14.308) 15.315 2.405 ( -4.996 -1.928 5.649) 7.785 2.466 ( -1.502 -2.664 5.837) 6.590 2.566 ( 3.579 3.094 7.134) 8.560 2.609 ( 4.932 3.057 -6.615) 8.799 2.945 ( -4.813 -0.852 -3.069) 5.772 3.084 ( -4.788 -1.429 4.036) 6.423 3.175 ( -0.087 -2.120 0.768) 2.256 3.345 ( -10.657 11.005 2.168) 15.472 3.739 ( 4.650 -1.807 14.499) 15.333 3.923 ( -1.886 -6.290 16.598) 17.850 4.137 ( 1.081 -2.625 8.540) 8.999 4.215 ( -0.170 -10.684 4.979) 11.788 4.393 ( 7.427 0.917 2.552) 7.906 4.485 ( 0.984 5.477 1.926) 5.889 4.900 ( 5.630 2.466 -9.233) 11.092 4.962 ( -6.270 5.596 -0.806) 8.442 5.100 ( -1.856 -4.879 4.110) 6.644 5.320 ( -4.097 3.186 -2.407) 5.721 5.484 ( 5.683 4.527 -0.974) 7.331 5.543 ( 2.791 8.607 -12.822) 15.693 5.659 ( -4.528 -2.218 -14.857) 15.690 6.698 ( -12.939 5.652 7.914) 16.187 6.864 ( -1.522 5.724 16.277) 17.321 7.078 ( -5.472 -1.946 -1.616) 6.028 7.451 ( 4.056 0.504 2.595) 4.841 7.676 ( 2.037 -0.325 -1.462) 2.528 7.782 ( 1.141 5.018 5.018) 7.187 8.092 ( 2.625 -4.802 -8.795) 10.359 8.230 ( -0.268 13.118 -4.577) 13.896 8.379 ( 3.390 2.441 -0.443) 4.201 8.616 ( -3.315 5.735 -4.126) 7.804 9.139 ( -0.201 -2.571 7.311) 7.752 9.407 ( -1.370 7.802 1.141) 8.003 9.458 ( 1.571 5.097 -5.359) 7.561 9.623 ( -1.133 -6.025 2.394) 6.581 9.712 ( -0.355 -0.424 10.580) 10.594 9.939 ( 1.524 4.429 -3.126) 5.632 10.125 ( 2.107 6.706 -11.385) 13.380 10.463 ( 1.132 5.434 -8.083) 9.805 11.184 ( -10.978 1.349 5.179) 12.213 11.257 ( 8.926 -5.892 8.063) 13.394 11.577 ( 10.373 5.206 4.012) 12.280 12.013 ( 3.782 -2.869 8.499) 9.735 12.059 ( 1.259 -3.383 5.136) 6.278 12.402 ( -3.949 1.655 -5.203) 6.738 12.619 ( -1.650 -10.668 -1.952) 10.969 12.989 ( 4.767 -5.475 -5.860) 9.330 13.459 ( -4.244 -0.020 9.730) 10.616 13.946 ( 2.089 2.182 -0.876) 3.145 14.250 ( 5.385 0.914 4.049) 6.799 14.527 ( -1.133 -3.541 -6.347) 7.356 14.792 ( -7.480 -6.303 10.617) 14.436 15.414 ( 1.308 -6.808 -5.895) 9.101 15.896 ( -11.232 2.209 -2.596) 11.738 16.169 ( 5.768 -0.337 -0.933) 5.852 16.579 ( 2.851 -0.000 -7.083) 7.635 16.720 ( -0.863 4.399 -10.558) 11.470 17.614 ( 7.830 -1.815 24.492) 25.777 18.278 ( -12.530 -3.252 2.560) 13.196 18.368 ( 5.219 -6.853 8.509) 12.108 18.594 ( -0.935 -0.381 -1.048) 1.455 18.770 ( 6.463 -3.594 3.482) 8.174 19.016 ( 2.071 4.402 -0.856) 4.940 19.807 ( -8.273 -1.851 14.869) 17.116 21.256 ( -0.340 -5.621 -28.979) 29.521 22.935 ( -4.429 3.548 29.197) 29.743 24.133 ( -1.612 -4.550 7.546) 8.958 24.610 ( 2.436 0.648 -22.069) 22.212 25.167 ( 3.745 -0.947 -19.760) 20.134 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -13.760 10.761 6.798) 18.744 1.394 ( -11.427 14.382 13.652) 22.887 2.115 ( -8.719 1.902 8.291) 12.181 2.274 ( -5.928 4.522 -0.168) 7.458 2.429 ( -3.831 -3.796 18.132) 18.917 2.644 ( -2.123 2.763 16.075) 16.449 2.680 ( 0.664 4.141 1.169) 4.353 2.850 ( -4.970 6.175 4.480) 9.105 2.918 ( -4.054 8.353 0.709) 9.311 3.261 ( 6.576 -5.217 -0.146) 8.395 3.358 ( 7.454 -1.161 -7.383) 10.555 3.810 ( -0.666 -0.180 9.869) 9.893 3.926 ( -3.173 -9.422 12.824) 16.226 4.101 ( -5.995 -1.660 5.827) 8.524 4.208 ( -1.212 -15.334 4.061) 15.909 4.470 ( -1.080 -1.668 6.516) 6.812 4.554 ( 5.667 3.865 -0.574) 6.884 4.821 ( -7.594 3.399 -0.035) 8.320 4.917 ( -1.484 4.637 -9.740) 10.889 5.089 ( -0.289 -5.730 4.305) 7.173 5.229 ( -3.325 4.294 -6.021) 8.109 5.485 ( -3.209 4.387 -13.378) 14.440 5.574 ( 1.910 1.702 -0.672) 2.645 5.618 ( 4.096 6.380 -8.505) 11.394 6.544 ( -6.012 5.490 7.964) 11.388 6.845 ( -7.053 0.269 6.082) 9.317 6.933 ( -4.977 2.882 9.441) 11.055 7.573 ( 0.787 1.798 3.810) 4.286 7.671 ( 4.194 -2.049 -3.335) 5.737 7.865 ( 5.403 6.080 6.772) 10.583 8.139 ( 3.652 -0.598 -5.325) 6.485 8.237 ( 2.371 11.124 -5.799) 12.767 8.433 ( 1.653 3.280 -0.664) 3.733 8.562 ( -0.058 3.077 -3.979) 5.030 9.104 ( -5.589 -1.772 7.235) 9.313 9.363 ( 2.662 1.776 -2.276) 3.927 9.560 ( 3.563 1.745 4.011) 5.642 9.636 ( 1.291 -4.621 1.687) 5.086 9.804 ( 6.388 1.939 12.494) 14.165 9.958 ( 1.184 6.932 -0.344) 7.041 10.171 ( 5.840 12.765 -8.534) 16.428 10.511 ( 7.260 -0.636 -13.136) 15.022 10.993 ( -9.288 0.486 1.608) 9.439 11.431 ( 6.624 -6.978 9.526) 13.539 11.767 ( 8.425 3.595 2.973) 9.630 12.070 ( -2.436 -2.809 2.163) 4.302 12.087 ( 0.817 -4.014 3.910) 5.663 12.289 ( -7.955 5.102 -1.415) 9.556 12.566 ( -1.402 -7.917 -1.245) 8.136 13.082 ( 6.595 -5.457 -5.145) 9.987 13.410 ( -4.089 -0.698 6.030) 7.319 13.937 ( -0.635 -1.684 1.645) 2.438 14.164 ( -15.084 -5.785 -7.881) 17.975 14.520 ( 6.867 4.863 -2.887) 8.896 14.852 ( 4.609 2.028 9.230) 10.515 15.298 ( -13.626 6.249 -2.378) 15.178 15.787 ( 3.655 -13.780 0.530) 14.266 16.360 ( 10.802 3.735 1.339) 11.507 16.383 ( -12.505 4.525 -12.931) 18.549 16.773 ( 3.254 -3.826 -4.660) 6.851 17.779 ( 1.516 -3.290 18.916) 19.260 18.086 ( -8.081 -3.553 2.552) 9.189 18.369 ( -6.398 -3.893 -2.338) 7.846 18.617 ( 3.514 -1.852 0.937) 4.082 18.916 ( 7.000 -2.288 4.986) 8.894 19.199 ( 17.323 2.952 4.078) 18.040 19.679 ( -9.065 -0.806 15.178) 17.698 21.133 ( -3.930 -8.362 -25.899) 27.498 22.998 ( 1.525 3.442 33.225) 33.438 24.106 ( -3.715 -4.301 7.566) 9.463 24.623 ( 5.826 0.915 -21.580) 22.371 25.169 ( 2.729 -1.447 -19.599) 19.841 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -13.560 8.663 11.278) 19.650 1.364 ( -2.470 15.390 23.326) 28.054 1.892 ( -12.651 5.638 -2.053) 14.002 2.243 ( 0.609 5.445 1.655) 5.723 2.431 ( -3.268 -5.961 19.800) 20.935 2.495 ( -14.723 16.617 33.580) 40.256 2.698 ( 1.815 -2.007 -1.959) 3.341 2.871 ( 2.468 6.074 2.175) 6.908 2.953 ( 4.689 3.008 -2.302) 6.028 3.324 ( -0.055 -2.298 -5.142) 5.633 3.458 ( 3.198 0.636 -7.598) 8.268 3.831 ( 2.597 -3.714 4.038) 6.070 3.874 ( -3.972 -12.151 15.304) 19.941 4.060 ( -1.094 -2.581 13.366) 13.656 4.184 ( -1.710 -14.949 1.451) 15.116 4.476 ( -0.893 -6.896 7.039) 9.895 4.585 ( -2.709 1.824 -2.497) 4.111 4.701 ( -4.272 3.535 -0.393) 5.559 4.816 ( -4.789 2.290 -7.477) 9.169 5.073 ( -2.960 -0.964 -1.707) 3.550 5.215 ( 4.889 5.827 -5.527) 9.402 5.403 ( -1.336 5.630 -10.826) 12.276 5.576 ( -0.728 1.513 -1.597) 2.317 5.677 ( 2.877 5.972 -2.224) 6.992 6.475 ( -3.256 2.556 1.606) 4.441 6.685 ( -6.949 -1.516 -2.500) 7.539 6.982 ( 3.616 2.053 16.700) 17.210 7.511 ( -3.501 0.211 3.302) 4.817 7.836 ( 9.172 0.586 -1.519) 9.315 7.979 ( 3.619 3.070 3.889) 6.135 8.171 ( 1.131 7.632 -1.218) 7.811 8.283 ( 3.718 8.808 -4.737) 10.670 8.449 ( 0.869 0.519 -2.054) 2.289 8.553 ( -0.762 5.295 -4.357) 6.899 9.044 ( -2.266 -1.224 9.069) 9.428 9.438 ( 3.590 -6.691 2.910) 8.132 9.612 ( 2.090 0.186 0.278) 2.117 9.686 ( 1.986 -1.461 8.031) 8.401 9.909 ( -1.187 2.152 0.800) 2.584 9.980 ( 1.102 5.447 5.457) 7.789 10.363 ( 15.795 9.388 0.129) 18.375 10.619 ( 5.599 -4.237 -14.953) 16.520 10.916 ( 5.075 2.977 -1.294) 6.025 11.548 ( 1.915 -5.801 8.386) 10.375 11.864 ( -3.842 -0.451 -2.526) 4.621 11.967 ( -3.420 0.937 -4.787) 5.958 12.052 ( -3.347 -1.098 1.101) 3.691 12.156 ( -6.880 4.699 8.805) 12.122 12.575 ( 1.822 -7.405 2.640) 8.070 13.179 ( 3.063 -3.438 -3.586) 5.836 13.300 ( -8.562 -2.019 0.855) 8.838 13.697 ( -25.121 -13.425 -9.686) 30.085 14.050 ( 6.357 11.527 -2.030) 13.319 14.526 ( -6.901 21.568 -15.913) 27.677 15.009 ( 9.171 0.474 11.301) 14.562 15.052 ( -7.433 2.053 6.648) 10.181 15.861 ( 0.999 -6.492 -0.695) 6.605 16.244 ( 2.536 -0.375 1.726) 3.090 16.504 ( 2.435 2.150 -2.380) 4.027 16.803 ( 3.178 -9.191 -3.467) 10.325 17.782 ( -5.774 -3.629 13.675) 15.281 17.999 ( -2.379 -4.921 4.146) 6.860 18.256 ( -1.947 -0.924 -3.544) 4.148 18.624 ( -2.934 -0.401 -4.214) 5.151 19.049 ( 4.635 -1.713 7.178) 8.715 19.518 ( 1.279 -4.653 15.380) 16.120 19.668 ( 12.820 3.246 -2.951) 13.549 20.985 ( -1.811 -12.639 -21.878) 25.331 23.194 ( 7.471 -1.594 36.111) 36.910 24.036 ( -5.893 -3.791 8.295) 10.859 24.695 ( 7.967 1.666 -20.572) 22.123 25.153 ( 1.715 -2.041 -19.611) 19.791 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 5.132 10.709 12.340) 17.126 1.617 ( -3.029 11.588 7.355) 14.055 1.920 ( -0.195 7.721 2.253) 8.046 2.263 ( -5.321 0.588 9.385) 10.804 2.358 ( 0.156 2.870 2.503) 3.811 2.601 ( -1.313 -0.609 0.347) 1.489 2.873 ( -1.799 0.889 0.961) 2.225 2.937 ( -1.109 5.379 7.257) 9.101 3.267 ( 0.306 22.390 24.111) 32.905 3.336 ( 1.534 -2.344 -4.628) 5.409 3.534 ( -4.459 -10.801 2.696) 11.992 3.553 ( 7.580 -5.140 -0.238) 9.162 3.634 ( 0.306 -8.498 -0.184) 8.505 3.921 ( -2.245 -5.691 6.175) 8.693 4.126 ( -1.558 -4.692 11.146) 12.193 4.246 ( -0.160 -4.378 4.827) 6.519 4.435 ( -3.181 -7.162 -0.094) 7.837 4.609 ( -6.109 3.819 -0.950) 7.267 4.893 ( 5.951 2.165 2.504) 6.810 5.141 ( -0.289 7.647 -8.807) 11.667 5.433 ( 4.495 2.317 -1.390) 5.244 5.451 ( -2.258 6.251 -8.687) 10.938 5.633 ( 0.585 5.922 -1.781) 6.212 5.799 ( -0.020 3.946 -4.897) 6.289 6.516 ( 0.768 4.210 1.520) 4.541 6.596 ( 0.645 0.427 -2.570) 2.684 7.096 ( 2.329 -0.588 13.215) 13.432 7.450 ( -0.020 -4.646 4.840) 6.709 7.911 ( -0.527 0.224 0.632) 0.853 8.121 ( -1.986 6.280 -3.234) 7.337 8.342 ( 6.263 -1.332 1.918) 6.684 8.436 ( 2.432 1.667 -0.724) 3.036 8.584 ( -4.294 12.974 -5.341) 14.673 8.679 ( 0.394 9.456 -5.786) 11.093 8.934 ( -1.096 -5.533 18.028) 18.890 9.444 ( 1.585 1.971 5.665) 6.204 9.663 ( -1.009 -1.004 -3.073) 3.387 9.729 ( -1.495 -0.693 -0.093) 1.650 9.793 ( -6.159 3.713 1.637) 7.376 10.185 ( 3.564 4.516 14.820) 15.897 10.409 ( 0.274 -12.996 -10.979) 17.015 10.588 ( -1.548 2.074 0.618) 2.661 11.269 ( 11.517 4.168 3.660) 12.783 11.538 ( -0.270 2.646 6.424) 6.953 11.706 ( -9.122 5.689 -3.205) 11.218 11.997 ( 1.327 -0.125 3.838) 4.063 12.062 ( -6.475 11.331 -5.166) 14.036 12.161 ( -0.537 2.976 0.528) 3.070 12.570 ( 3.866 0.829 5.952) 7.146 12.926 ( -13.033 -1.692 -6.039) 14.463 13.179 ( -1.926 -5.347 -0.541) 5.709 13.282 ( 0.924 -3.866 -1.859) 4.388 14.471 ( -2.068 15.881 0.923) 16.042 14.742 ( -11.486 19.375 -8.301) 24.004 15.002 ( 11.374 -5.494 10.770) 16.599 15.272 ( 11.017 2.216 -2.330) 11.476 15.770 ( -2.008 -8.952 4.701) 10.309 16.135 ( -5.665 -6.311 -2.468) 8.832 16.449 ( -6.092 -5.775 -0.928) 8.445 16.652 ( 11.516 -12.434 -3.331) 17.272 17.586 ( -4.639 -5.573 13.162) 15.027 17.866 ( -1.531 -5.347 9.768) 11.241 18.287 ( 0.865 1.110 -1.802) 2.286 18.539 ( -1.496 -0.297 -8.226) 8.367 19.074 ( -2.292 -0.380 8.848) 9.148 19.472 ( 1.168 -6.056 16.508) 17.622 19.767 ( -5.818 2.936 -11.778) 13.460 20.742 ( 14.436 -13.753 -20.218) 28.396 23.296 ( -2.434 -0.979 26.584) 26.713 23.884 ( -2.709 -5.284 10.472) 12.038 24.800 ( 6.615 -0.083 -21.674) 22.661 25.048 ( 1.625 -4.258 -21.477) 21.955 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 15.343 0.672 11.770) 19.350 1.625 ( 3.934 14.817 3.353) 15.693 1.976 ( 3.776 8.485 6.859) 11.546 2.207 ( -3.265 3.638 9.966) 11.100 2.376 ( 0.691 1.287 2.262) 2.693 2.573 ( -1.226 0.866 -1.859) 2.389 2.827 ( -4.704 -2.956 1.847) 5.854 2.890 ( -3.289 4.233 -0.755) 5.413 3.293 ( -2.424 0.835 4.951) 5.575 3.375 ( -0.057 7.141 17.844) 19.220 3.476 ( -1.412 -7.268 1.618) 7.578 3.678 ( 4.359 -16.843 0.648) 17.410 3.699 ( 4.155 6.822 1.794) 8.187 3.897 ( -0.383 -2.755 6.186) 6.783 4.071 ( -4.270 -3.130 10.205) 11.497 4.253 ( -2.908 -3.683 3.890) 6.095 4.424 ( 1.488 -4.286 -0.691) 4.590 4.605 ( 5.328 7.968 3.666) 10.263 5.062 ( 9.679 0.029 2.446) 9.984 5.119 ( 0.805 4.915 -7.302) 8.839 5.350 ( -4.516 6.435 -5.730) 9.729 5.504 ( 4.007 2.812 -7.532) 8.983 5.659 ( 1.737 6.276 -0.518) 6.532 5.787 ( 0.873 1.433 -8.028) 8.201 6.583 ( 4.874 4.449 4.137) 7.788 6.670 ( 7.705 1.136 -2.712) 8.247 7.210 ( 5.178 -3.379 11.015) 12.632 7.487 ( 1.971 -4.671 5.191) 7.256 7.831 ( -7.591 1.354 -0.396) 7.721 8.029 ( -6.465 4.966 -3.191) 8.754 8.351 ( -7.346 4.726 -4.834) 9.984 8.467 ( 0.906 2.838 -0.282) 2.993 8.492 ( -0.567 0.002 -1.897) 1.980 8.712 ( 3.611 15.081 -3.843) 15.977 9.002 ( 2.226 -4.361 18.651) 19.283 9.468 ( -2.559 1.517 1.047) 3.154 9.562 ( -3.369 1.058 1.289) 3.759 9.643 ( -6.121 -1.305 4.704) 7.829 9.810 ( 4.578 5.077 -3.551) 7.704 10.283 ( -7.610 -7.716 -1.062) 10.889 10.326 ( 3.768 0.517 10.050) 10.745 10.593 ( 0.866 -4.240 -7.096) 8.312 11.268 ( -11.983 15.505 2.379) 19.740 11.410 ( -11.177 5.821 2.735) 12.895 11.661 ( 5.299 6.200 2.218) 8.452 11.851 ( -8.061 4.968 -0.401) 9.477 12.079 ( 3.306 0.291 8.038) 8.696 12.219 ( 3.517 2.012 -6.130) 7.348 12.703 ( 0.044 3.548 0.323) 3.563 12.859 ( 6.264 -8.462 4.676) 11.520 13.089 ( 1.310 -3.017 -1.692) 3.699 13.380 ( 7.133 -2.613 -0.023) 7.597 14.273 ( -14.180 14.291 1.776) 20.211 14.555 ( -5.124 12.665 -1.805) 13.781 15.314 ( 7.704 0.685 -1.907) 7.966 15.507 ( 19.404 3.450 2.039) 19.814 15.586 ( -14.133 -15.107 1.875) 20.772 16.066 ( -9.930 -11.416 5.621) 16.141 16.330 ( 2.758 -3.785 -7.688) 9.002 16.870 ( 8.748 -5.138 -3.220) 10.644 17.534 ( -5.266 -2.578 11.937) 13.299 17.895 ( 1.006 -5.906 10.545) 12.128 18.275 ( 0.719 -2.611 -3.883) 4.734 18.562 ( 4.097 -1.588 -3.350) 5.525 18.987 ( -8.883 0.214 8.259) 12.131 19.379 ( -13.671 -2.853 1.326) 14.028 19.719 ( 3.979 1.498 6.103) 7.438 20.983 ( 15.344 -13.053 -25.974) 32.871 23.258 ( -9.018 -0.598 24.874) 26.465 23.902 ( 0.876 -6.166 10.383) 12.107 24.815 ( 1.492 -0.468 -21.081) 21.139 25.039 ( 4.468 -3.511 -21.636) 22.370 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 4.430 9.524 8.084) 13.255 1.857 ( 13.964 -1.592 2.091) 14.209 2.077 ( 2.645 13.999 13.727) 19.784 2.214 ( 1.860 1.453 8.212) 8.544 2.387 ( -0.159 -0.814 0.960) 1.269 2.555 ( 0.131 3.281 -1.113) 3.467 2.699 ( -7.445 0.871 0.962) 7.557 2.853 ( 0.791 -3.789 -9.996) 10.719 3.242 ( -4.306 -5.610 -1.326) 7.195 3.388 ( -3.498 2.377 24.490) 24.853 3.499 ( 1.212 -0.009 4.012) 4.191 3.689 ( -2.080 -3.665 2.928) 5.131 3.776 ( 4.683 -6.068 -2.250) 7.988 3.935 ( -2.120 -5.112 19.141) 19.926 4.086 ( 3.352 7.541 4.904) 9.599 4.246 ( 1.237 -1.687 6.814) 7.128 4.433 ( -0.843 -0.469 0.734) 1.213 4.751 ( 8.220 8.397 0.522) 11.762 5.118 ( 0.663 3.059 -1.729) 3.576 5.230 ( 4.216 3.388 -1.998) 5.766 5.284 ( 1.450 4.420 -3.170) 5.629 5.553 ( 4.028 1.135 -8.633) 9.594 5.660 ( -1.285 8.397 -3.399) 9.149 5.783 ( 1.022 -1.432 -9.899) 10.054 6.709 ( 6.466 4.295 6.147) 9.901 6.847 ( 10.830 0.996 -2.405) 11.139 7.300 ( -1.693 -0.687 11.383) 11.529 7.547 ( 1.256 -4.506 4.845) 6.734 7.661 ( -7.180 2.822 1.900) 7.945 7.868 ( -8.478 3.399 -4.512) 10.188 8.167 ( -8.404 3.672 -7.002) 11.538 8.404 ( -3.538 3.434 0.744) 4.986 8.566 ( 4.744 -2.605 -1.359) 5.581 8.754 ( 1.785 17.233 -4.796) 17.977 9.116 ( 4.419 -0.392 13.446) 14.159 9.404 ( -1.054 -2.320 -4.036) 4.774 9.505 ( -5.981 5.716 6.948) 10.804 9.614 ( 1.376 -0.765 8.735) 8.876 9.905 ( 6.320 4.278 -7.247) 10.525 10.040 ( -14.141 -4.947 -4.095) 15.531 10.358 ( -7.262 1.093 2.554) 7.775 10.641 ( 8.616 -3.472 1.167) 9.362 11.070 ( -8.427 17.653 -4.160) 19.998 11.281 ( -0.121 5.501 3.074) 6.303 11.651 ( -8.470 4.871 2.125) 9.999 11.838 ( 4.081 2.437 8.486) 9.727 12.098 ( -3.624 4.102 6.087) 8.186 12.290 ( 5.182 -6.643 -2.960) 8.931 12.649 ( -5.897 0.609 -1.651) 6.154 12.774 ( -5.941 -10.810 -0.040) 12.336 13.449 ( 24.958 -4.174 4.911) 25.777 13.534 ( 7.725 0.605 3.647) 8.564 14.017 ( -11.402 10.123 0.188) 15.248 14.524 ( 1.055 5.199 -1.041) 5.406 15.220 ( -17.507 -9.193 3.728) 20.122 15.373 ( -6.322 -8.743 -6.775) 12.740 15.864 ( -5.336 -9.745 2.021) 11.293 15.933 ( 20.743 5.814 1.926) 21.628 16.463 ( 8.238 -2.363 -3.331) 9.195 16.925 ( -0.822 2.245 -5.246) 5.765 17.458 ( -5.776 0.032 12.043) 13.356 17.963 ( 2.691 -5.747 12.218) 13.767 18.337 ( 6.415 -6.828 -3.073) 9.860 18.606 ( 0.396 -2.582 -0.856) 2.748 18.798 ( -13.350 0.157 7.679) 15.402 19.158 ( -7.304 -0.350 -2.504) 7.729 19.815 ( 2.035 -0.509 10.286) 10.498 21.130 ( 8.750 -11.787 -28.637) 32.181 23.143 ( -9.840 2.292 24.052) 26.088 23.955 ( 1.109 -7.163 9.508) 11.956 24.750 ( -0.881 0.030 -21.326) 21.344 25.075 ( 5.578 -2.925 -21.471) 22.376 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.686 14.889 6.983) 16.663 2.002 ( 1.074 -10.107 9.114) 13.651 2.090 ( -6.124 12.478 3.956) 14.452 2.330 ( 4.520 -2.380 9.263) 10.578 2.386 ( 1.223 -3.321 2.757) 4.486 2.599 ( -0.001 9.457 -0.078) 9.457 2.615 ( 4.631 3.466 -2.611) 6.346 2.868 ( 4.369 -6.151 -11.380) 13.654 3.118 ( -7.886 -1.334 5.472) 9.690 3.359 ( -8.198 3.612 7.640) 11.773 3.524 ( 2.534 -0.151 7.900) 8.297 3.729 ( 2.802 -7.219 10.620) 13.144 3.822 ( -0.599 -0.756 3.446) 3.578 3.919 ( -5.003 -5.462 18.116) 19.572 4.179 ( 3.801 9.253 3.219) 10.509 4.294 ( 0.804 2.107 11.632) 11.848 4.435 ( 1.722 -5.467 0.210) 5.736 4.910 ( 8.679 7.959 -3.961) 12.424 5.090 ( -4.380 1.528 1.939) 5.027 5.207 ( -2.006 8.323 -2.038) 8.800 5.381 ( 5.141 0.109 -1.392) 5.327 5.587 ( -1.457 3.822 -6.444) 7.633 5.630 ( 3.874 6.183 -9.570) 12.034 5.740 ( -2.072 0.179 -11.349) 11.538 6.837 ( 3.342 3.459 6.937) 8.441 7.023 ( 6.535 0.130 -1.876) 6.800 7.182 ( -11.252 8.750 11.712) 18.448 7.451 ( -6.784 -2.179 5.528) 9.018 7.714 ( -0.143 -1.029 -0.243) 1.066 7.743 ( 3.031 1.466 -0.175) 3.371 8.019 ( -5.042 -0.294 -4.359) 6.671 8.372 ( 0.588 2.976 -0.896) 3.164 8.618 ( 0.101 7.356 -1.148) 7.446 8.772 ( 2.850 11.975 -6.642) 13.987 9.209 ( -1.732 3.926 5.952) 7.338 9.370 ( -0.079 0.049 -1.307) 1.310 9.476 ( 1.430 -2.740 7.461) 8.076 9.681 ( 2.026 1.347 5.732) 6.227 9.788 ( -8.405 1.497 1.273) 8.632 9.988 ( 1.985 5.475 -6.060) 8.405 10.212 ( -2.904 3.099 -5.469) 6.924 10.791 ( -0.283 9.253 -2.583) 9.611 10.955 ( 2.899 -0.042 -2.897) 4.098 11.395 ( 2.973 3.229 8.248) 9.344 11.478 ( -3.599 3.534 -0.766) 5.102 11.917 ( -0.042 -0.438 12.615) 12.623 12.025 ( -4.674 2.352 4.865) 7.144 12.350 ( 1.412 -8.420 0.140) 8.539 12.515 ( -3.571 -1.555 -2.494) 4.625 12.765 ( 2.993 -10.448 -3.548) 11.433 13.593 ( -5.086 5.171 8.515) 11.185 13.903 ( 18.809 -4.037 6.462) 20.293 13.945 ( 5.908 3.286 -1.130) 6.854 14.539 ( 0.081 1.024 -4.061) 4.189 14.834 ( -21.470 -13.821 2.325) 25.640 15.217 ( -5.223 -12.295 -6.114) 14.690 15.938 ( 9.279 0.221 4.964) 10.525 16.212 ( 3.753 4.545 -0.252) 5.900 16.538 ( 2.828 2.190 -5.123) 6.248 16.877 ( -1.180 3.540 -8.187) 8.997 17.434 ( -0.214 0.009 17.866) 17.867 18.065 ( 3.301 -7.792 14.076) 16.424 18.438 ( 0.402 -5.516 -4.454) 7.101 18.559 ( -3.251 -1.799 1.934) 4.188 18.611 ( -4.258 -2.092 6.042) 7.683 19.078 ( -1.093 0.400 -4.288) 4.443 19.838 ( -2.952 -0.913 10.710) 11.147 21.154 ( 3.078 -11.232 -28.873) 31.133 23.053 ( -6.805 4.742 24.059) 25.449 23.994 ( 0.081 -7.386 8.917) 11.579 24.674 ( 0.046 0.938 -22.070) 22.090 25.110 ( 4.747 -2.934 -21.325) 22.043 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -3.424 17.127 6.744) 18.723 1.871 ( -15.243 3.869 0.409) 15.732 2.081 ( 3.380 -1.027 15.496) 15.894 2.312 ( -4.744 -8.281 0.728) 9.572 2.475 ( 2.012 -0.710 0.541) 2.202 2.608 ( 2.794 4.197 3.899) 6.374 2.771 ( 9.170 9.846 -3.552) 13.915 2.934 ( 3.873 -3.298 -5.987) 7.856 3.028 ( -2.997 1.899 10.515) 11.097 3.191 ( -8.164 3.910 1.762) 9.222 3.553 ( -4.607 0.601 5.875) 7.490 3.779 ( -2.892 4.031 10.084) 11.238 3.799 ( -0.824 0.819 15.449) 15.492 3.878 ( -3.637 -14.452 8.289) 17.052 4.223 ( -0.469 5.866 2.755) 6.498 4.365 ( 1.296 -2.548 12.124) 12.457 4.479 ( 3.240 -4.765 -1.212) 5.889 4.974 ( -5.241 -4.538 4.673) 8.360 5.055 ( 5.158 9.348 -7.489) 13.041 5.128 ( -6.406 8.700 0.494) 10.816 5.401 ( -3.221 2.580 -1.000) 4.247 5.567 ( 2.682 2.161 -8.386) 9.066 5.611 ( -2.020 0.218 -10.371) 10.568 5.737 ( 4.757 8.965 -9.193) 13.694 6.794 ( -8.586 3.538 4.969) 10.532 7.032 ( -6.101 -2.399 -1.241) 6.672 7.060 ( -4.828 12.091 16.501) 21.018 7.466 ( 7.161 0.774 3.049) 7.821 7.647 ( -3.478 -1.619 -0.798) 3.918 7.886 ( 8.012 -1.958 -0.543) 8.265 7.966 ( -0.114 0.341 3.522) 3.540 8.412 ( 3.358 3.502 -5.080) 7.024 8.581 ( -1.785 12.561 -2.064) 12.854 8.792 ( -0.653 12.470 -5.347) 13.583 9.069 ( -7.984 -3.300 1.567) 8.780 9.463 ( 5.942 -1.379 -1.018) 6.184 9.529 ( 1.332 -2.743 5.657) 6.426 9.651 ( -5.618 7.053 -0.854) 9.057 9.760 ( 2.234 7.779 13.039) 15.346 10.002 ( 2.954 2.013 0.335) 3.590 10.275 ( 9.870 7.085 -10.728) 16.208 10.643 ( -8.478 11.006 -8.550) 16.313 11.105 ( 8.274 -8.053 3.105) 11.956 11.214 ( -11.448 1.220 -1.100) 11.565 11.687 ( 10.554 4.730 5.907) 12.987 11.936 ( 1.658 -5.613 9.517) 11.173 11.980 ( -1.688 -1.488 8.804) 9.087 12.405 ( 2.661 -6.105 -0.370) 6.670 12.463 ( -1.485 1.673 -2.307) 3.213 12.828 ( 5.186 -9.377 -6.860) 12.723 13.493 ( -6.556 3.849 11.001) 13.373 13.980 ( -3.311 0.432 2.806) 4.361 14.280 ( 17.499 1.324 2.995) 17.803 14.365 ( -17.093 -10.557 -7.001) 21.275 14.654 ( 4.626 -7.332 4.860) 9.939 15.212 ( 6.588 -12.026 -5.851) 14.908 15.991 ( -18.251 7.541 -2.210) 19.871 16.190 ( 10.780 2.292 6.739) 12.918 16.605 ( 1.385 1.868 -4.743) 5.282 16.794 ( -4.274 2.603 -11.340) 12.395 17.555 ( 4.825 -3.587 22.019) 22.825 18.100 ( -6.470 -11.009 12.027) 17.542 18.350 ( -0.360 2.161 -0.155) 2.196 18.553 ( -1.111 -2.928 -2.808) 4.206 18.682 ( 7.925 -4.435 5.543) 10.640 19.083 ( 3.456 1.156 -3.772) 5.245 19.775 ( -6.492 -0.216 10.432) 12.289 21.080 ( -1.948 -11.456 -27.659) 30.001 23.036 ( -2.728 6.136 24.791) 25.684 24.009 ( -1.507 -7.262 9.010) 11.670 24.631 ( 2.752 1.556 -22.636) 22.856 25.124 ( 3.462 -3.314 -21.324) 21.856 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -18.379 11.750 1.359) 21.856 1.696 ( -4.854 13.544 11.465) 18.397 2.131 ( -5.066 -1.878 -0.119) 5.404 2.257 ( 0.983 -3.873 11.791) 12.450 2.449 ( -3.275 4.325 -0.981) 5.513 2.673 ( 0.322 0.449 2.539) 2.598 2.857 ( 1.123 7.413 -1.716) 7.691 2.941 ( -3.170 5.404 12.021) 13.556 3.072 ( 4.667 0.179 3.808) 6.026 3.180 ( 6.414 -0.465 -1.258) 6.553 3.442 ( -5.526 9.949 5.064) 12.457 3.720 ( -6.615 -6.794 6.504) 11.499 3.799 ( -5.156 -3.847 8.745) 10.856 3.859 ( 0.755 -10.608 8.530) 13.633 4.174 ( -5.280 5.208 4.134) 8.491 4.357 ( -4.021 -5.774 7.734) 10.456 4.546 ( 1.675 -5.373 0.444) 5.645 4.884 ( -5.587 -3.175 3.750) 7.440 4.962 ( -8.030 4.134 -0.955) 9.082 5.137 ( 4.041 10.706 -5.613) 12.746 5.324 ( -2.860 3.137 -1.625) 4.546 5.551 ( 0.051 2.735 -9.188) 9.587 5.612 ( 2.118 2.732 -5.709) 6.674 5.789 ( 2.854 8.121 -6.032) 10.511 6.651 ( -7.055 4.129 3.580) 8.924 6.841 ( -10.595 -0.891 -1.588) 10.750 7.049 ( -3.217 8.240 16.723) 18.918 7.552 ( -4.850 -3.936 2.816) 6.851 7.670 ( 10.201 1.874 0.808) 10.403 8.025 ( 3.560 8.748 10.455) 14.089 8.036 ( 8.495 -7.462 -4.679) 12.237 8.415 ( -0.385 4.572 -8.032) 9.250 8.590 ( 2.392 9.716 -2.911) 10.421 8.736 ( -1.495 13.958 -2.143) 14.201 8.981 ( -3.460 -6.112 2.649) 7.506 9.477 ( -4.316 0.186 1.667) 4.630 9.577 ( 2.906 -1.114 1.596) 3.498 9.606 ( 2.427 6.432 1.317) 6.999 9.890 ( 5.678 6.168 13.566) 15.947 10.052 ( 0.515 0.964 1.882) 2.176 10.429 ( 0.814 10.825 -4.626) 11.800 10.529 ( 7.718 3.236 -12.677) 15.190 11.008 ( -8.351 0.917 -1.395) 8.516 11.279 ( 8.068 -6.833 5.684) 12.004 11.808 ( 3.272 0.050 2.950) 4.405 11.979 ( 1.038 -2.780 2.115) 3.644 12.071 ( 1.573 0.957 8.938) 9.126 12.322 ( -4.306 -1.270 -0.516) 4.519 12.531 ( 3.473 3.932 1.429) 5.437 12.927 ( 7.851 -8.904 -7.361) 13.968 13.417 ( -5.333 1.868 7.953) 9.756 13.842 ( -14.715 -7.804 1.514) 16.725 14.053 ( -5.961 -3.198 -4.643) 8.204 14.625 ( 17.897 4.893 0.690) 18.567 14.850 ( 10.879 -4.338 5.582) 12.974 15.393 ( 12.068 -7.772 -3.408) 14.753 15.568 ( -22.702 4.865 -0.317) 23.220 16.414 ( 8.326 1.401 5.498) 10.076 16.472 ( -10.073 3.345 -7.748) 13.141 16.687 ( -5.164 -3.929 -7.774) 10.126 17.668 ( -0.567 -6.946 18.332) 19.612 17.967 ( -7.689 -8.077 8.647) 14.111 18.335 ( -3.632 1.482 -1.478) 4.192 18.586 ( 5.055 -1.088 -2.590) 5.783 18.860 ( 8.333 -2.879 5.362) 10.319 19.210 ( 10.250 -2.839 1.981) 10.818 19.688 ( -3.994 2.666 7.648) 9.030 20.915 ( -6.896 -12.156 -24.887) 28.542 23.095 ( 0.800 5.851 26.145) 26.804 23.988 ( -3.610 -6.921 9.472) 12.274 24.648 ( 6.098 1.542 -22.617) 23.475 25.115 ( 2.309 -3.860 -21.374) 21.842 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -12.970 15.146 7.130) 21.177 1.652 ( -3.696 12.202 12.546) 17.887 1.993 ( -6.687 2.853 -2.753) 7.774 2.309 ( -1.170 -3.006 11.317) 11.768 2.377 ( -3.382 5.896 0.595) 6.823 2.633 ( -2.712 -0.147 0.472) 2.756 2.898 ( 2.324 -1.525 0.765) 2.883 2.907 ( -3.248 9.463 12.019) 15.639 3.181 ( 2.566 16.846 16.942) 24.029 3.296 ( 5.128 -1.778 -5.781) 7.930 3.434 ( 3.375 0.144 1.651) 3.760 3.614 ( -4.479 -11.384 2.548) 12.496 3.695 ( -6.611 -6.736 2.529) 9.771 3.907 ( 1.296 -7.084 7.381) 10.312 4.101 ( -2.767 2.576 8.823) 9.599 4.296 ( -4.938 -6.810 9.039) 12.347 4.515 ( -4.102 -8.386 -0.151) 9.336 4.757 ( -7.218 1.455 -3.482) 8.145 4.859 ( -3.022 2.308 2.164) 4.375 5.169 ( 0.694 9.508 -7.753) 12.288 5.331 ( 4.091 3.833 1.423) 5.784 5.515 ( -0.901 5.332 -11.341) 12.564 5.631 ( 0.782 3.573 -1.300) 3.882 5.808 ( 0.754 5.895 -3.966) 7.145 6.549 ( -4.228 3.707 1.000) 5.711 6.663 ( -6.658 -0.401 -2.706) 7.198 7.048 ( -1.604 4.398 15.649) 16.334 7.470 ( -3.744 -4.417 4.510) 7.339 7.847 ( 6.728 1.047 1.488) 6.969 8.114 ( 2.895 7.984 1.516) 8.627 8.191 ( 8.378 -3.467 1.080) 9.131 8.400 ( 1.269 1.832 -4.174) 4.731 8.610 ( 1.280 13.159 -4.123) 13.849 8.724 ( -0.902 10.672 -4.702) 11.696 8.933 ( -3.311 -6.589 11.279) 13.475 9.423 ( -1.228 1.050 2.391) 2.886 9.634 ( 2.972 0.361 -1.912) 3.552 9.684 ( 3.465 2.707 6.658) 7.978 9.946 ( -5.228 1.301 -1.079) 5.495 10.081 ( 3.175 3.387 12.062) 12.924 10.389 ( 1.212 -3.748 -5.519) 6.781 10.651 ( -0.756 4.824 -3.170) 5.822 11.001 ( 11.672 5.232 -3.065) 13.153 11.437 ( 6.447 -3.605 6.297) 9.706 11.843 ( -2.322 -1.596 1.532) 3.207 12.001 ( -1.034 3.898 -5.328) 6.682 12.028 ( 0.435 -0.503 4.071) 4.125 12.278 ( -4.834 7.088 6.681) 10.874 12.556 ( -0.828 3.180 1.703) 3.701 13.069 ( 7.660 -7.434 -5.024) 11.798 13.285 ( -12.351 0.119 -0.480) 12.361 13.447 ( -18.536 -9.982 -4.531) 21.535 14.218 ( 18.146 5.126 4.613) 19.412 14.900 ( 5.636 12.992 -14.304) 20.129 15.009 ( 5.445 0.109 7.479) 9.252 15.147 ( -16.335 6.320 7.871) 19.203 15.653 ( 11.507 -11.505 1.181) 16.315 16.268 ( -6.058 1.364 -4.525) 7.683 16.497 ( -3.314 -3.993 -5.440) 7.518 16.586 ( -0.304 -9.720 1.939) 9.916 17.644 ( -5.658 -8.219 14.530) 17.626 17.892 ( -3.842 -5.361 9.496) 11.562 18.274 ( -0.438 2.849 -3.318) 4.396 18.616 ( -1.581 -0.357 -6.274) 6.480 19.012 ( 5.537 -1.600 6.741) 8.869 19.391 ( 3.036 -7.549 15.777) 17.752 19.746 ( 9.330 4.432 -7.191) 12.585 20.710 ( -4.946 -12.951 -20.146) 24.455 23.208 ( 2.020 2.879 27.219) 27.446 23.933 ( -4.925 -6.134 10.004) 12.726 24.719 ( 8.074 0.823 -22.192) 23.629 25.086 ( 1.464 -4.297 -21.415) 21.891 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -1.735 13.733 5.041) 14.731 1.837 ( 0.606 9.536 -0.531) 9.570 2.030 ( -0.095 2.033 4.043) 4.526 2.272 ( -0.016 -0.193 6.490) 6.493 2.430 ( -2.290 4.342 1.746) 5.210 2.588 ( -1.318 -0.947 0.306) 1.651 2.820 ( 1.160 -1.381 -1.348) 2.251 2.992 ( -3.297 -4.014 9.434) 10.770 3.178 ( 3.699 -10.052 -6.562) 12.561 3.302 ( -1.975 -3.635 7.802) 8.831 3.324 ( -0.843 -7.998 -3.002) 8.584 3.555 ( -2.613 -2.205 7.275) 8.039 3.784 ( -1.767 4.050 0.224) 4.424 3.842 ( -4.650 -4.924 15.444) 16.863 4.131 ( -0.149 14.342 19.955) 24.575 4.219 ( 2.350 -1.448 -0.673) 2.841 4.341 ( -0.441 3.787 -3.216) 4.988 4.725 ( -2.585 6.206 3.137) 7.419 4.909 ( 3.523 -0.437 3.969) 5.325 5.256 ( -2.624 0.299 -2.910) 3.930 5.467 ( 2.516 3.850 -4.082) 6.150 5.591 ( -1.387 5.847 -8.486) 10.398 5.746 ( 2.699 4.711 -6.915) 8.791 5.870 ( -0.026 2.557 -5.780) 6.320 6.586 ( 1.374 2.394 3.100) 4.150 6.622 ( 1.492 1.663 -0.623) 2.319 7.101 ( -1.861 0.792 11.021) 11.205 7.321 ( -0.398 -7.297 7.466) 10.447 7.943 ( 0.216 2.462 0.879) 2.623 8.160 ( 2.846 -3.597 -4.543) 6.456 8.319 ( -3.528 2.529 4.143) 6.000 8.516 ( 4.731 6.546 4.610) 9.299 8.727 ( -6.468 -0.045 -10.266) 12.134 8.796 ( -2.293 -0.892 10.680) 10.960 8.989 ( 2.648 11.828 -0.508) 12.131 9.509 ( 4.657 2.504 1.300) 5.445 9.584 ( -3.627 -5.972 -1.917) 7.245 9.718 ( -1.802 3.293 6.512) 7.517 9.921 ( 0.535 3.415 -2.577) 4.311 10.079 ( -2.142 -11.343 -0.738) 11.567 10.343 ( -1.377 6.000 9.011) 10.913 10.631 ( -3.967 0.977 3.431) 5.335 11.353 ( 10.308 4.874 7.919) 13.882 11.617 ( 6.397 3.200 5.507) 9.028 11.803 ( -3.179 3.568 -0.363) 4.792 11.992 ( -2.180 0.362 0.022) 2.210 12.256 ( -9.845 6.336 -0.913) 11.744 12.310 ( 1.866 10.743 -5.509) 12.216 12.605 ( 4.612 1.678 3.244) 5.883 12.915 ( -11.700 0.756 -5.321) 12.876 13.037 ( 4.352 -8.307 1.419) 9.484 13.210 ( -2.569 -3.156 -1.515) 4.343 14.769 ( 0.456 12.545 3.113) 12.934 14.912 ( 8.924 -2.360 10.301) 13.832 15.004 ( -8.923 5.300 0.324) 10.383 15.326 ( 10.305 0.391 -5.323) 11.605 15.594 ( -6.418 -3.925 2.842) 8.042 16.017 ( -3.212 -4.948 -4.681) 7.531 16.276 ( -11.005 -9.440 -0.093) 14.499 16.404 ( 12.908 -11.372 -3.383) 17.533 17.517 ( -2.579 -0.347 16.282) 16.488 17.771 ( -2.066 -4.419 13.274) 14.142 18.328 ( -1.619 2.612 -3.661) 4.780 18.516 ( -2.669 -1.986 -8.359) 8.997 19.085 ( -0.838 1.428 8.379) 8.541 19.338 ( 1.302 -6.500 14.198) 15.669 19.859 ( -2.232 6.046 -13.996) 15.409 20.473 ( 12.159 -12.370 -18.580) 25.418 23.332 ( -3.122 3.957 19.760) 20.393 23.754 ( -2.594 -7.192 11.277) 13.625 24.794 ( 5.746 -0.080 -23.160) 23.863 24.954 ( 2.484 -4.642 -22.812) 23.411 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 6.321 6.429 5.610) 10.619 1.889 ( 4.875 10.003 -0.369) 11.134 2.071 ( 2.938 -0.240 4.985) 5.792 2.315 ( 2.701 3.889 5.680) 7.395 2.390 ( -2.729 3.180 3.507) 5.464 2.584 ( 0.741 0.740 -1.344) 1.704 2.802 ( -2.142 1.595 -2.653) 3.765 2.922 ( -6.175 -1.808 5.610) 8.537 3.181 ( -1.843 -8.479 -3.026) 9.190 3.301 ( 1.649 -5.730 4.675) 7.577 3.342 ( 1.899 -8.957 -1.923) 9.355 3.536 ( -2.861 -0.861 14.356) 14.664 3.778 ( -2.750 -7.957 8.601) 12.036 3.815 ( 2.634 -4.360 6.304) 8.104 4.204 ( 0.078 17.770 15.121) 23.333 4.248 ( -1.731 4.599 -0.987) 5.012 4.388 ( 7.946 1.192 0.668) 8.062 4.775 ( 6.140 7.962 5.385) 11.406 5.025 ( 6.754 -3.560 3.773) 8.516 5.197 ( -1.505 2.258 -4.769) 5.487 5.471 ( -0.153 2.662 -6.129) 6.684 5.544 ( -2.260 2.503 -1.213) 3.584 5.773 ( 3.476 5.468 -11.417) 13.127 5.857 ( 0.423 4.137 -7.668) 8.723 6.668 ( 5.499 3.466 4.453) 7.879 6.709 ( 7.605 2.103 -1.307) 7.998 7.153 ( 3.828 -1.828 10.099) 10.954 7.365 ( 2.082 -6.839 8.439) 11.060 7.890 ( -5.626 4.100 0.188) 6.964 8.111 ( -6.343 2.404 -4.507) 8.143 8.302 ( -0.443 -5.001 6.839) 8.484 8.508 ( -6.795 4.218 -5.342) 9.618 8.569 ( -5.332 2.259 -3.074) 6.556 8.850 ( 4.067 -1.771 12.848) 13.592 9.070 ( 5.372 9.341 -1.221) 10.845 9.463 ( -5.523 -2.336 -5.166) 7.915 9.576 ( -0.158 -1.534 3.086) 3.450 9.719 ( 0.215 10.678 6.381) 12.441 9.940 ( 2.486 6.402 -1.792) 7.097 10.007 ( -4.999 -15.611 -4.593) 17.023 10.383 ( 1.807 3.798 13.770) 14.398 10.578 ( -2.896 0.956 0.289) 3.064 11.473 ( -2.064 7.631 5.647) 9.715 11.614 ( -7.380 10.584 6.884) 14.625 11.785 ( 1.846 4.534 -1.422) 5.098 11.961 ( -9.708 5.239 -6.040) 12.577 12.015 ( 1.705 -4.014 5.029) 6.657 12.296 ( -2.552 1.542 -4.537) 5.429 12.723 ( -7.278 -0.756 -0.749) 7.355 12.856 ( 4.536 6.862 3.586) 8.973 13.008 ( 5.857 -4.333 -1.044) 7.360 13.308 ( 10.043 -4.283 0.942) 10.958 14.528 ( -14.917 10.426 7.558) 19.707 14.739 ( -13.501 6.400 -3.591) 15.367 15.241 ( -7.378 -14.657 3.568) 16.793 15.301 ( -1.679 -7.117 2.596) 7.760 15.615 ( 13.291 6.026 -4.823) 15.370 15.944 ( -3.857 3.337 3.369) 6.113 16.208 ( 6.747 -7.798 -5.190) 11.544 16.709 ( 16.286 -10.777 -2.221) 19.655 17.505 ( -3.696 0.702 14.819) 15.289 17.787 ( -0.425 -4.832 14.065) 14.878 18.261 ( -2.879 1.037 -4.001) 5.038 18.497 ( 1.785 -4.418 -4.536) 6.579 19.013 ( -8.514 2.325 7.397) 11.515 19.292 ( -9.085 -5.110 5.918) 11.986 19.822 ( 2.995 8.446 -6.336) 10.975 20.687 ( 13.957 -15.428 -21.415) 29.856 23.298 ( -6.294 4.273 19.502) 20.933 23.761 ( -0.404 -7.633 11.044) 13.432 24.801 ( 2.190 -0.387 -22.934) 23.042 24.957 ( 5.039 -4.276 -22.587) 23.534 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 4.551 -0.907 4.883) 6.736 1.989 ( 4.235 7.271 -0.547) 8.432 2.154 ( 3.088 -4.117 6.284) 8.123 2.335 ( -2.153 -3.527 -1.109) 4.278 2.417 ( 3.805 14.292 10.405) 18.083 2.610 ( 2.488 2.664 -2.444) 4.389 2.751 ( -0.742 2.178 -3.818) 4.457 2.832 ( -3.616 2.545 2.873) 5.273 3.121 ( -2.461 -7.140 -0.371) 7.562 3.319 ( -1.392 -5.510 3.061) 6.455 3.447 ( 7.799 -4.046 6.213) 10.761 3.526 ( -2.636 -4.322 14.215) 15.089 3.780 ( 0.188 -6.498 12.040) 13.683 3.908 ( 2.530 0.166 3.692) 4.479 4.128 ( -4.368 0.611 1.829) 4.774 4.301 ( 2.204 10.349 12.044) 16.032 4.545 ( 5.133 8.119 2.325) 9.883 4.916 ( 5.209 7.205 6.491) 11.008 5.159 ( 4.679 -4.695 -0.192) 6.631 5.196 ( 4.321 1.960 -4.736) 6.704 5.438 ( -1.724 5.390 -6.152) 8.359 5.512 ( 0.120 -3.252 1.524) 3.593 5.805 ( 3.350 4.575 -13.253) 14.415 5.830 ( -0.745 5.910 -8.526) 10.400 6.800 ( 6.446 4.128 4.409) 8.833 6.880 ( 10.170 1.719 -1.721) 10.457 7.273 ( 3.711 -1.446 10.718) 11.434 7.433 ( 2.375 -6.139 6.835) 9.489 7.750 ( -9.073 5.836 3.251) 11.267 7.936 ( -9.231 3.083 -3.808) 10.451 8.230 ( -9.040 1.431 -2.729) 9.550 8.433 ( 1.850 -6.129 5.604) 8.508 8.490 ( -1.741 3.744 -2.131) 4.646 8.961 ( 3.524 -0.823 5.109) 6.261 9.175 ( 6.250 7.288 -0.250) 9.604 9.366 ( -3.139 -0.454 -4.726) 5.692 9.575 ( -0.490 -1.820 6.110) 6.394 9.711 ( -4.912 9.586 4.655) 11.734 9.885 ( -4.383 -6.753 -3.081) 8.620 10.005 ( 5.291 4.909 -4.792) 8.663 10.439 ( -4.310 5.111 8.022) 10.443 10.558 ( 5.112 -3.093 3.879) 7.124 11.337 ( -9.163 9.338 -4.415) 13.808 11.502 ( -4.910 13.203 5.284) 15.045 11.730 ( -8.207 1.971 -4.833) 9.727 11.899 ( 1.375 3.270 6.329) 7.255 12.091 ( 2.554 -4.498 8.838) 10.241 12.254 ( 0.059 0.420 -5.796) 5.811 12.567 ( -9.035 -6.372 1.314) 11.134 12.679 ( -11.258 1.234 -0.767) 11.351 13.394 ( 22.662 -0.645 2.075) 22.766 13.545 ( 13.493 -0.351 5.500) 14.575 14.225 ( -17.049 10.335 1.578) 19.999 14.579 ( -3.404 1.078 -0.979) 3.703 14.960 ( -19.148 -13.068 4.444) 23.604 15.129 ( -14.009 -16.495 -4.578) 22.120 15.790 ( 8.691 3.895 -0.851) 9.562 16.149 ( 16.437 12.441 4.514) 21.102 16.368 ( 10.078 -5.850 -2.450) 11.907 16.921 ( 6.290 -3.473 -5.581) 9.098 17.469 ( -4.282 1.690 14.013) 14.750 17.836 ( 0.848 -6.716 14.822) 16.295 18.242 ( 2.356 -1.840 -2.080) 3.642 18.511 ( -0.057 -6.376 -2.315) 6.783 18.828 ( -12.414 2.938 6.451) 14.295 19.126 ( -7.175 -3.027 0.161) 7.789 19.879 ( 2.639 7.350 -1.124) 7.889 20.831 ( 8.231 -16.727 -23.906) 30.316 23.231 ( -6.433 6.280 19.564) 21.531 23.793 ( 0.119 -8.643 10.660) 13.724 24.756 ( 0.831 0.956 -22.914) 22.949 24.994 ( 5.520 -4.762 -22.418) 23.573 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.351 -6.176 5.019) 8.635 2.019 ( -0.575 6.570 1.402) 6.742 2.179 ( -2.036 -8.534 2.022) 9.004 2.278 ( -3.449 -3.150 -3.447) 5.805 2.501 ( 0.623 16.696 11.880) 20.501 2.654 ( 2.654 0.827 -1.601) 3.208 2.765 ( 2.416 1.357 -5.093) 5.798 2.845 ( 5.224 7.671 0.575) 9.299 3.114 ( -0.322 -1.102 11.499) 11.556 3.312 ( -0.160 -4.047 1.625) 4.363 3.469 ( -3.790 -10.071 6.812) 12.735 3.618 ( 1.775 0.668 12.608) 12.750 3.850 ( -2.963 6.256 -0.237) 6.926 3.880 ( 3.436 -0.470 15.253) 15.642 4.155 ( 3.677 -10.835 5.509) 12.699 4.370 ( 1.499 5.464 8.024) 9.823 4.547 ( -5.383 12.933 5.936) 15.214 4.985 ( -1.687 -0.548 6.040) 6.295 5.176 ( 2.456 5.206 -6.073) 8.367 5.307 ( 2.984 -0.022 -1.815) 3.492 5.404 ( 1.664 3.504 -3.725) 5.378 5.532 ( 0.046 -5.229 -1.369) 5.406 5.773 ( -1.403 6.540 -10.501) 12.450 5.833 ( 3.701 5.875 -10.979) 12.990 6.904 ( 1.778 3.106 4.056) 5.409 7.032 ( 3.444 0.233 -0.312) 3.466 7.323 ( 1.130 2.849 9.308) 9.800 7.446 ( -5.467 2.066 5.013) 7.700 7.634 ( -0.905 -2.365 0.552) 2.591 7.789 ( -5.527 1.687 -0.562) 5.806 8.076 ( -4.792 4.562 3.107) 7.310 8.448 ( 0.573 4.771 1.277) 4.972 8.582 ( 7.872 -6.385 2.640) 10.474 9.007 ( 1.338 2.133 -1.877) 3.140 9.265 ( -6.820 1.635 -1.996) 7.292 9.312 ( 6.354 1.227 -3.627) 7.419 9.530 ( -5.408 2.987 9.917) 11.684 9.674 ( 2.337 -1.809 1.740) 3.429 9.843 ( -0.684 5.122 1.351) 5.342 10.097 ( 4.953 4.086 -7.654) 9.991 10.339 ( -3.850 8.669 3.870) 10.245 10.742 ( 9.995 -5.682 6.539) 13.227 11.139 ( -10.570 9.601 -8.211) 16.472 11.439 ( -7.144 0.349 -2.876) 7.709 11.571 ( -1.058 6.076 2.703) 6.733 11.892 ( -5.195 -1.813 9.092) 10.627 12.140 ( -3.665 7.504 6.659) 10.681 12.246 ( 3.423 -1.569 -1.646) 4.110 12.454 ( -0.792 -5.859 0.585) 5.941 12.566 ( -0.390 -6.618 -0.626) 6.659 13.687 ( 2.630 2.919 6.019) 7.188 13.865 ( 17.417 0.116 6.758) 18.683 14.005 ( -3.002 3.295 0.885) 4.545 14.518 ( -7.322 -2.803 -7.681) 10.976 14.562 ( -16.777 -10.946 2.305) 20.164 14.926 ( -4.583 -14.698 -3.568) 15.804 15.997 ( 11.682 5.261 5.625) 13.993 16.347 ( 1.368 5.325 2.426) 6.010 16.561 ( 9.373 2.177 -2.030) 9.834 16.925 ( -2.207 0.964 -9.093) 9.406 17.446 ( -2.231 1.502 15.810) 16.037 17.890 ( -0.699 -9.528 14.394) 17.276 18.326 ( 5.753 -4.112 -1.330) 7.196 18.480 ( -1.268 -5.664 -2.754) 6.424 18.635 ( -8.332 4.250 7.713) 12.124 19.045 ( -1.675 -3.952 -0.898) 4.385 19.891 ( -1.137 6.947 -0.272) 7.044 20.860 ( 2.691 -16.843 -24.925) 30.202 23.186 ( -4.295 8.152 19.813) 21.851 23.823 ( -0.403 -9.290 10.532) 14.049 24.707 ( 1.480 2.542 -23.168) 23.354 25.023 ( 4.531 -5.346 -22.435) 23.504 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.390 -5.729 4.854) 7.519 2.011 ( -0.860 7.306 4.245) 8.493 2.129 ( -2.136 -8.670 -2.105) 9.174 2.182 ( -4.817 1.469 -2.184) 5.489 2.514 ( -1.596 10.026 7.897) 12.862 2.685 ( 0.667 1.017 -1.427) 1.875 2.807 ( 3.224 -2.480 -3.206) 5.179 2.983 ( 7.710 4.906 -3.358) 9.736 3.132 ( -3.697 5.381 19.332) 20.404 3.285 ( -4.223 3.870 2.627) 6.302 3.426 ( -1.759 -11.250 2.748) 11.714 3.620 ( -1.947 -1.493 6.592) 7.034 3.774 ( -4.911 1.828 14.388) 15.313 4.040 ( 4.159 3.914 4.395) 7.206 4.233 ( 2.112 -5.141 8.481) 10.140 4.367 ( -5.878 1.133 12.464) 13.827 4.458 ( -2.441 8.206 -1.401) 8.675 4.899 ( -6.343 -2.235 6.404) 9.286 5.224 ( -0.737 5.997 -8.446) 10.385 5.275 ( -1.773 3.345 1.524) 4.081 5.413 ( -2.590 0.242 -0.843) 2.735 5.523 ( 2.345 -2.835 -4.601) 5.891 5.735 ( 0.937 7.756 -11.524) 13.922 5.887 ( 4.191 5.175 -8.528) 10.820 6.852 ( -7.641 2.223 4.133) 8.967 6.978 ( -7.159 -2.717 0.343) 7.665 7.308 ( -7.182 10.708 13.179) 18.437 7.479 ( 8.808 0.446 0.567) 8.837 7.619 ( -4.594 -1.148 3.337) 5.794 7.747 ( 4.770 -6.589 -6.338) 10.312 8.097 ( 3.419 8.623 12.364) 15.457 8.488 ( 3.124 4.879 -3.884) 6.975 8.708 ( 3.104 -0.206 4.862) 5.772 8.983 ( -4.395 -3.724 -8.487) 10.257 9.105 ( -3.761 12.475 -0.280) 13.033 9.413 ( 3.614 -1.470 -2.184) 4.472 9.520 ( -0.032 1.494 7.849) 7.990 9.686 ( -1.741 -1.156 0.799) 2.237 9.892 ( 5.133 0.604 1.988) 5.538 10.094 ( -2.724 6.803 2.548) 7.758 10.421 ( 10.739 7.989 -1.619) 13.482 10.846 ( -12.667 6.598 -2.780) 14.550 10.962 ( 6.862 -4.404 0.925) 8.206 11.224 ( -10.319 -0.975 -6.604) 12.291 11.754 ( 14.002 1.049 7.207) 15.783 11.812 ( -3.307 -2.784 6.661) 7.941 12.052 ( -3.638 6.926 5.391) 9.501 12.334 ( 0.106 -1.105 1.848) 2.156 12.490 ( 5.906 -0.183 0.452) 5.926 12.641 ( 6.951 -7.862 -4.427) 11.390 13.620 ( -7.885 8.003 10.839) 15.611 13.952 ( -6.726 -2.761 2.709) 7.759 14.110 ( -6.916 -10.596 1.425) 12.733 14.320 ( 10.332 -3.783 -6.561) 12.810 14.503 ( 3.755 -2.949 2.955) 5.615 14.967 ( 9.276 -10.980 -4.763) 15.143 16.180 ( -8.134 8.953 1.181) 12.154 16.268 ( 3.798 5.773 6.466) 9.464 16.632 ( -1.938 0.619 -2.127) 2.943 16.823 ( -5.733 0.154 -10.039) 11.562 17.488 ( 0.700 -2.216 18.270) 18.417 17.858 ( -6.673 -12.189 12.262) 18.532 18.404 ( 4.165 2.021 -3.104) 5.573 18.496 ( 1.554 -2.269 -2.744) 3.885 18.619 ( 5.301 -0.340 9.195) 10.619 19.039 ( 0.805 -5.507 0.585) 5.596 19.845 ( -2.882 7.689 -1.139) 8.290 20.791 ( -2.033 -16.172 -24.426) 29.365 23.189 ( -1.637 8.807 20.012) 21.926 23.837 ( -1.580 -9.375 10.763) 14.361 24.681 ( 3.248 3.389 -23.502) 23.966 25.030 ( 3.270 -5.690 -22.590) 23.524 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -7.829 4.839 4.613) 10.295 1.961 ( -5.642 10.347 -0.082) 11.785 2.060 ( -1.966 -3.205 -1.890) 4.209 2.197 ( 3.242 -3.195 7.283) 8.588 2.503 ( -1.235 3.149 1.060) 3.545 2.684 ( 0.277 0.808 -0.513) 0.996 2.829 ( -2.924 -6.538 1.122) 7.250 3.011 ( -0.799 -1.666 -2.907) 3.445 3.122 ( -4.118 7.093 9.756) 12.745 3.249 ( 2.952 -1.262 2.187) 3.884 3.401 ( -2.127 -1.563 3.040) 4.026 3.626 ( -0.915 -5.486 9.152) 10.709 3.746 ( -2.383 4.642 15.865) 16.701 4.015 ( -5.368 3.866 -2.467) 7.060 4.203 ( -8.853 11.533 18.842) 23.799 4.313 ( -3.108 -8.792 6.124) 11.156 4.436 ( -0.049 2.163 -5.525) 5.933 4.844 ( -2.162 -0.063 7.988) 8.276 5.047 ( -10.692 3.080 -3.328) 11.613 5.292 ( -0.675 -3.415 2.128) 4.080 5.375 ( 1.428 8.257 -5.158) 9.840 5.591 ( 5.316 0.900 -3.378) 6.362 5.714 ( 0.003 6.768 -11.739) 13.550 5.916 ( 1.051 3.805 -6.446) 7.558 6.709 ( -7.509 1.754 3.279) 8.379 6.812 ( -9.054 -1.873 -1.463) 9.361 7.225 ( -6.307 7.449 13.692) 16.815 7.456 ( -7.850 -4.519 5.587) 10.642 7.712 ( 10.040 1.743 0.514) 10.204 7.883 ( 9.724 -6.550 -3.320) 12.185 8.224 ( 5.101 10.741 12.522) 17.268 8.489 ( -1.828 4.275 -6.512) 8.002 8.757 ( 2.399 4.652 1.777) 5.528 8.875 ( -3.048 -3.153 -3.118) 5.381 9.074 ( -1.678 15.103 -5.162) 16.049 9.418 ( -1.611 -2.675 1.606) 3.511 9.556 ( 1.624 -0.996 6.228) 6.513 9.684 ( 1.999 -0.147 -1.964) 2.806 9.971 ( 0.896 -5.328 -0.993) 5.493 10.071 ( -0.881 5.895 10.851) 12.380 10.565 ( -9.999 4.636 -5.440) 12.291 10.664 ( 9.484 7.311 2.709) 12.277 11.013 ( -4.424 -0.926 -2.889) 5.364 11.185 ( 10.239 -2.482 2.236) 10.770 11.815 ( 2.021 1.908 3.720) 4.643 11.964 ( 3.142 0.670 5.114) 6.040 12.125 ( 5.461 4.277 4.890) 8.487 12.313 ( 2.977 0.339 2.336) 3.799 12.610 ( 3.874 2.490 0.691) 4.657 12.751 ( 6.753 -7.368 -7.870) 12.721 13.493 ( -8.880 5.082 7.999) 12.987 13.684 ( -19.943 -5.830 -2.809) 20.967 14.015 ( 3.343 -1.033 3.429) 4.899 14.610 ( 18.243 -15.966 1.623) 24.297 14.741 ( 16.736 4.731 3.674) 17.775 15.170 ( 11.089 -9.018 -4.108) 14.872 15.836 ( -20.544 15.708 -1.716) 25.918 16.423 ( 3.640 -0.377 6.796) 7.718 16.502 ( -9.366 -0.299 -0.788) 9.403 16.617 ( -12.675 -3.511 -11.448) 17.437 17.531 ( -2.752 -5.199 17.359) 18.328 17.782 ( -3.739 -9.141 12.850) 16.207 18.412 ( -2.338 5.219 -2.267) 6.151 18.573 ( 6.562 -0.236 -5.003) 8.255 18.807 ( 9.692 -2.057 6.466) 11.830 19.086 ( 3.797 -8.306 6.567) 11.248 19.807 ( 0.584 8.714 -4.248) 9.712 20.641 ( -6.125 -14.306 -22.547) 27.396 23.237 ( 0.095 7.912 20.075) 21.578 23.824 ( -3.185 -8.873 11.095) 14.559 24.693 ( 5.430 2.989 -23.614) 24.414 25.014 ( 2.296 -5.702 -22.768) 23.583 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -9.678 13.936 4.347) 17.515 1.865 ( -3.355 8.319 -0.413) 8.980 2.039 ( -1.260 1.846 2.462) 3.325 2.257 ( 0.239 -2.835 7.488) 8.010 2.469 ( -2.005 3.385 -0.889) 4.033 2.652 ( -5.137 1.131 1.223) 5.400 2.779 ( 1.638 -5.573 0.538) 5.834 3.014 ( -1.386 -8.932 3.163) 9.576 3.104 ( 3.286 0.125 -0.140) 3.292 3.311 ( 0.705 -7.932 2.791) 8.438 3.364 ( -2.736 1.258 3.286) 4.457 3.600 ( -3.827 -5.553 6.486) 9.357 3.785 ( 0.918 12.902 11.325) 17.193 3.895 ( -5.553 -2.215 2.185) 6.365 4.118 ( -5.140 12.279 19.856) 23.905 4.248 ( -4.609 -6.699 3.883) 9.011 4.387 ( -2.899 3.491 -4.201) 6.184 4.806 ( -4.831 3.325 2.559) 6.399 4.892 ( -3.371 0.737 0.648) 3.511 5.288 ( -0.660 -4.346 3.031) 5.340 5.415 ( 3.805 9.281 -5.981) 11.678 5.646 ( -0.218 7.190 -11.913) 13.916 5.697 ( 3.388 2.123 -3.192) 5.116 5.896 ( -0.780 2.388 -5.384) 5.941 6.605 ( -4.008 1.740 2.450) 5.009 6.663 ( -5.372 0.154 -1.331) 5.536 7.145 ( -5.828 4.220 12.228) 14.188 7.347 ( -4.770 -6.604 6.637) 10.508 7.876 ( 6.195 1.547 1.874) 6.655 8.057 ( 8.507 -5.953 -2.421) 10.662 8.344 ( 2.460 11.486 9.702) 15.235 8.429 ( -0.344 2.491 -3.631) 4.416 8.796 ( 1.660 2.471 -6.215) 6.891 8.833 ( -3.053 -3.234 5.362) 6.966 9.003 ( -3.089 15.737 -4.011) 16.531 9.426 ( 2.343 0.163 2.445) 3.390 9.601 ( 1.092 -3.286 3.356) 4.822 9.721 ( 1.004 0.263 1.588) 1.897 9.938 ( -1.680 -4.497 -3.593) 5.997 10.097 ( -0.728 -0.618 8.069) 8.125 10.394 ( -6.011 5.164 1.161) 8.009 10.713 ( -4.915 0.669 3.919) 6.322 11.104 ( 12.819 4.915 1.038) 13.768 11.413 ( 11.822 -0.256 3.749) 12.405 11.847 ( -0.785 2.860 2.557) 3.916 12.040 ( -0.059 1.274 5.079) 5.237 12.129 ( 4.566 8.159 -4.844) 10.530 12.424 ( -0.232 6.348 6.027) 8.756 12.621 ( -2.073 2.145 -0.638) 3.050 12.883 ( 9.656 -10.161 -5.283) 14.979 13.257 ( -21.161 -2.796 -6.369) 22.275 13.336 ( -9.145 -0.742 2.925) 9.630 14.300 ( 23.389 3.888 7.661) 24.917 14.951 ( 11.881 -7.980 5.570) 15.358 15.068 ( 16.467 3.681 -2.761) 17.098 15.197 ( -12.650 -2.273 2.613) 13.115 15.583 ( -0.067 8.054 -1.593) 8.210 16.246 ( -15.231 -5.226 -4.018) 16.597 16.352 ( -6.627 -5.257 -10.903) 13.799 16.449 ( -5.563 -5.968 6.410) 10.376 17.517 ( -3.061 -2.945 16.797) 17.326 17.775 ( -2.208 -6.001 13.412) 14.858 18.360 ( -1.492 5.016 -4.113) 6.656 18.604 ( -1.722 -1.051 -8.222) 8.466 18.990 ( 7.320 -0.413 6.994) 10.132 19.222 ( 5.500 -8.233 14.648) 17.680 19.857 ( 6.006 6.483 -10.954) 14.074 20.459 ( -4.346 -11.629 -19.634) 23.229 23.300 ( -0.176 5.817 19.992) 20.822 23.787 ( -4.035 -7.923 11.289) 14.370 24.740 ( 6.718 1.511 -23.443) 24.433 24.984 ( 1.839 -5.337 -22.873) 23.559 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.377 12.711 2.169) 13.330 1.929 ( -2.414 -6.611 4.961) 8.611 2.057 ( 2.273 7.583 -5.977) 9.919 2.220 ( 1.877 -5.855 0.673) 6.185 2.532 ( -1.886 4.172 3.404) 5.705 2.577 ( 0.230 -0.017 0.921) 0.950 2.800 ( 3.893 -1.133 2.098) 4.565 2.832 ( 2.947 -5.873 3.151) 7.287 3.101 ( -0.785 2.290 -5.005) 5.559 3.204 ( -2.012 -5.381 -4.533) 7.318 3.356 ( -5.544 5.542 15.591) 17.451 3.451 ( -2.681 -4.257 7.103) 8.704 3.688 ( -4.642 -5.825 6.686) 10.009 3.698 ( -8.723 -6.946 13.493) 17.504 4.273 ( 4.794 4.409 -2.771) 7.078 4.317 ( 2.130 1.012 -1.201) 2.647 4.638 ( -2.295 17.515 5.338) 18.453 4.835 ( -1.308 -0.765 2.054) 2.553 4.900 ( 2.247 5.156 8.540) 10.226 5.123 ( 0.898 -11.289 5.317) 12.510 5.589 ( -1.716 5.897 -6.748) 9.125 5.659 ( -3.672 -0.072 -6.270) 7.267 5.830 ( 4.879 3.829 -9.930) 11.708 5.889 ( 2.512 -1.110 -8.473) 8.907 6.624 ( 1.930 1.547 4.164) 4.843 6.644 ( 1.935 0.061 2.297) 3.004 7.120 ( -3.126 1.321 8.785) 9.417 7.183 ( -1.480 -5.200 8.553) 10.119 8.000 ( 1.945 2.953 0.854) 3.637 8.069 ( 3.406 -3.982 -0.394) 5.255 8.429 ( -5.626 7.733 -0.189) 9.564 8.611 ( -5.035 -8.049 -1.286) 9.581 8.671 ( 1.887 5.711 2.130) 6.380 8.760 ( -1.733 -2.344 7.490) 8.037 9.262 ( -1.049 12.780 -4.751) 13.674 9.453 ( -2.836 -6.639 -0.442) 7.233 9.523 ( 2.570 2.160 1.987) 3.901 9.699 ( 2.005 -12.836 -4.984) 13.915 9.910 ( 1.100 8.419 5.567) 10.153 10.029 ( -0.884 -1.746 1.915) 2.738 10.483 ( -2.512 6.847 8.996) 11.582 10.602 ( -3.197 -3.980 6.273) 8.088 11.478 ( 10.421 6.815 9.115) 15.431 11.603 ( 10.098 -4.350 7.135) 13.107 11.892 ( -3.911 5.027 0.002) 6.369 11.977 ( -3.794 -2.560 -1.461) 4.805 12.406 ( -14.300 7.100 -4.391) 16.559 12.463 ( -7.445 2.933 -6.539) 10.334 12.645 ( 12.320 3.695 4.962) 13.786 12.805 ( 8.505 -10.394 2.686) 13.696 13.014 ( -6.030 5.448 -3.345) 8.788 13.131 ( -5.157 -4.942 -2.682) 7.629 14.904 ( 17.067 2.836 6.166) 18.366 14.971 ( -5.420 1.027 5.053) 7.481 15.033 ( -2.427 4.218 3.421) 5.949 15.196 ( -5.971 -8.926 5.562) 12.094 15.708 ( 1.171 10.358 -6.792) 12.441 15.906 ( 3.306 -7.421 -7.610) 11.131 16.137 ( -9.498 -2.024 0.921) 9.755 16.203 ( 2.984 -7.354 -0.971) 7.995 17.566 ( -1.698 4.446 17.183) 17.830 17.672 ( -1.707 -5.236 15.965) 16.888 18.390 ( -3.360 3.328 -5.635) 7.356 18.460 ( -3.804 -3.287 -7.420) 8.963 19.133 ( 0.707 3.205 9.077) 9.652 19.217 ( 1.576 -4.998 11.257) 12.417 20.017 ( 2.625 9.130 -15.994) 18.602 20.229 ( 7.780 -11.251 -17.568) 22.265 23.444 ( -2.977 6.656 15.241) 16.895 23.596 ( -2.666 -7.802 12.697) 15.139 24.809 ( 4.584 1.735 -23.913) 24.410 24.866 ( 3.493 -3.685 -23.708) 24.246 ======================= Grid point 155 (85/125) ======================= q-point: ( 0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.891 11.436 2.559) 11.753 1.925 ( 0.242 -8.486 5.592) 10.166 2.103 ( 3.995 6.876 -5.085) 9.439 2.252 ( 1.222 -6.639 -2.051) 7.055 2.544 ( 2.421 7.226 4.081) 8.644 2.619 ( 3.113 0.771 0.157) 3.211 2.817 ( -2.751 -0.274 0.862) 2.896 2.862 ( -0.914 -4.579 4.135) 6.237 3.080 ( -0.926 3.992 -7.002) 8.113 3.192 ( 4.171 -4.476 -3.108) 6.863 3.343 ( -1.452 3.642 16.633) 17.089 3.442 ( -1.647 -6.422 14.666) 16.095 3.601 ( -2.502 -4.632 7.119) 8.854 3.663 ( -0.744 -7.769 8.633) 11.638 4.364 ( 2.349 4.505 0.837) 5.150 4.406 ( 5.099 0.282 1.262) 5.260 4.604 ( 0.131 16.789 4.202) 17.308 4.865 ( 4.684 -7.063 -1.013) 8.535 4.989 ( 3.387 7.464 9.910) 12.861 5.160 ( 1.904 -6.206 3.053) 7.174 5.519 ( -3.373 3.078 -3.373) 5.677 5.569 ( -4.071 -0.912 -3.584) 5.500 5.878 ( 3.734 3.962 -12.964) 14.061 5.914 ( 2.617 0.731 -10.658) 10.999 6.722 ( 6.569 1.782 3.659) 7.727 6.738 ( 7.123 0.390 0.882) 7.188 7.146 ( 2.956 1.583 9.248) 9.837 7.226 ( 2.672 -5.913 9.789) 11.744 7.986 ( -3.361 4.826 0.174) 5.884 8.082 ( -2.012 -4.242 -1.613) 4.965 8.315 ( -6.561 5.739 4.217) 9.683 8.461 ( -9.142 -6.820 -2.780) 11.739 8.676 ( -2.256 6.437 1.118) 6.912 8.785 ( 2.009 -4.027 5.964) 7.471 9.269 ( 2.829 9.438 -2.626) 10.197 9.403 ( -1.636 -3.542 -1.909) 4.344 9.544 ( -1.195 0.562 3.661) 3.892 9.691 ( -2.211 -13.169 -0.955) 13.387 9.955 ( 2.656 8.880 0.876) 9.310 10.033 ( 1.578 1.119 -0.974) 2.165 10.480 ( -1.047 5.405 10.666) 12.003 10.571 ( -2.521 -2.461 6.061) 7.011 11.635 ( 1.377 7.771 8.069) 11.287 11.756 ( 2.913 -1.015 6.282) 6.998 11.825 ( -3.707 3.624 1.967) 5.545 11.927 ( -0.878 -4.369 0.645) 4.503 12.095 ( -12.443 7.440 -6.652) 15.951 12.242 ( -9.889 -5.904 -5.007) 12.559 12.769 ( -6.370 4.473 0.670) 7.813 12.875 ( -6.594 -5.157 0.563) 8.390 13.051 ( 16.703 7.947 0.130) 18.497 13.201 ( 12.905 -6.220 0.614) 14.339 14.720 ( -13.631 8.989 11.340) 19.880 14.882 ( -15.119 8.453 -5.731) 18.245 14.941 ( -12.571 -12.924 9.510) 20.384 15.092 ( -9.669 -11.345 -2.974) 15.200 15.794 ( 7.848 10.627 -5.765) 14.414 16.017 ( 6.733 -10.370 -4.513) 13.162 16.147 ( 13.621 13.457 2.472) 19.307 16.442 ( 18.492 -14.345 0.235) 23.405 17.568 ( -3.170 4.930 16.003) 17.043 17.681 ( -2.139 -5.517 15.814) 16.885 18.309 ( -3.161 3.393 -4.385) 6.382 18.396 ( -1.202 -4.916 -4.787) 6.966 19.082 ( -7.790 4.282 7.114) 11.386 19.183 ( -7.399 -5.285 7.058) 11.511 20.053 ( 5.653 13.517 -13.669) 20.038 20.360 ( 10.030 -15.804 -17.965) 25.945 23.423 ( -3.912 7.481 15.248) 17.429 23.592 ( -1.839 -8.524 12.575) 15.302 24.813 ( 3.351 1.756 -23.730) 24.029 24.872 ( 4.503 -3.744 -23.439) 24.159 ======================= Grid point 156 (86/125) ======================= q-point: ( 0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.092 8.989 1.709) 9.151 1.946 ( -0.426 -10.705 3.691) 11.331 2.153 ( 1.795 4.664 -2.916) 5.787 2.249 ( -0.776 -4.547 -2.341) 5.173 2.623 ( 3.266 5.533 0.185) 6.428 2.677 ( 3.577 2.117 -0.148) 4.159 2.783 ( 1.152 1.821 -1.720) 2.757 2.874 ( 2.963 -5.699 6.028) 8.809 3.038 ( -2.237 8.621 1.074) 8.971 3.252 ( -0.143 -6.335 4.639) 7.853 3.424 ( -2.817 -0.191 14.373) 14.647 3.446 ( 4.991 0.278 15.762) 16.535 3.657 ( 4.953 -2.917 7.437) 9.399 3.747 ( 7.594 -9.432 5.781) 13.418 4.304 ( -7.682 9.678 -0.254) 12.359 4.425 ( -2.859 -0.548 5.764) 6.457 4.727 ( 7.365 10.665 3.660) 13.467 4.959 ( 1.432 -9.824 5.246) 11.229 5.100 ( 7.860 7.338 2.346) 11.007 5.224 ( 4.631 -2.309 -1.247) 5.323 5.459 ( -2.147 0.244 0.291) 2.181 5.487 ( -3.551 -1.010 -1.442) 3.964 5.896 ( 2.469 3.483 -14.039) 14.674 5.918 ( 1.345 1.756 -11.370) 11.583 6.870 ( 7.381 2.558 1.998) 8.063 6.900 ( 9.098 -0.151 -0.737) 9.129 7.261 ( 4.804 0.741 9.525) 10.694 7.316 ( 3.368 -4.560 8.825) 10.489 7.883 ( -7.748 6.268 1.740) 10.117 7.967 ( -8.719 -1.057 -2.666) 9.178 8.237 ( -4.494 0.865 4.975) 6.760 8.305 ( -3.833 -5.325 4.956) 8.223 8.631 ( -1.790 9.151 -1.624) 9.465 8.834 ( 1.776 -9.363 0.383) 9.538 9.339 ( 4.760 7.379 -1.439) 8.898 9.383 ( -0.256 1.654 -1.616) 2.326 9.519 ( -2.303 -1.864 5.332) 6.099 9.619 ( -4.686 -9.940 2.336) 11.235 10.011 ( 3.304 8.575 -4.419) 10.197 10.082 ( 3.883 1.308 -3.832) 5.610 10.512 ( 0.805 1.836 11.142) 11.321 10.534 ( -2.327 0.002 6.306) 6.721 11.531 ( -11.045 9.344 -1.882) 14.589 11.677 ( -12.177 -2.045 -3.089) 12.728 11.754 ( -2.584 5.919 1.173) 6.564 11.895 ( -4.077 -5.500 4.749) 8.332 12.056 ( 6.572 3.504 3.813) 8.367 12.170 ( 3.319 -6.587 0.251) 7.380 12.576 ( -12.611 4.803 0.315) 13.498 12.667 ( -12.509 -2.825 -0.839) 12.851 13.427 ( 19.646 3.521 2.383) 20.101 13.507 ( 17.000 -3.318 4.615) 17.926 14.452 ( -18.967 11.541 3.053) 22.411 14.614 ( -8.409 2.699 0.734) 8.862 14.709 ( -17.338 -10.494 2.947) 20.479 14.801 ( -12.049 -13.000 -4.500) 18.288 15.945 ( 9.112 9.653 0.126) 13.275 16.152 ( 7.901 -9.501 1.087) 12.405 16.489 ( 17.731 14.498 -0.731) 22.915 16.766 ( 13.778 -11.234 -3.648) 18.148 17.547 ( -3.848 5.744 14.934) 16.457 17.688 ( -2.119 -7.409 15.246) 17.083 18.261 ( -0.518 3.408 -1.554) 3.781 18.369 ( -0.853 -6.623 -2.097) 6.999 18.917 ( -10.475 5.401 5.322) 12.932 19.035 ( -8.406 -5.515 3.606) 10.681 20.115 ( 4.128 14.966 -11.813) 19.508 20.465 ( 6.327 -18.130 -18.757) 26.843 23.396 ( -3.589 9.360 15.509) 18.467 23.599 ( -1.382 -9.954 12.570) 16.093 24.800 ( 2.859 3.347 -23.582) 23.989 24.889 ( 4.540 -5.045 -23.255) 24.225 ======================= Grid point 157 (87/125) ======================= q-point: ( 0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.059 6.073 1.222) 6.195 1.921 ( -2.244 -11.722 0.530) 11.947 2.147 ( -0.927 3.077 -2.617) 4.145 2.208 ( -2.294 -3.166 -3.258) 5.089 2.664 ( 2.139 3.706 -1.082) 4.414 2.754 ( 2.985 -2.353 1.079) 3.951 2.839 ( 2.664 9.714 1.543) 10.190 2.969 ( 0.073 -3.874 -2.755) 4.754 3.041 ( 5.538 6.735 13.613) 16.166 3.250 ( -2.443 -9.038 11.787) 15.053 3.400 ( -1.451 7.266 11.464) 13.650 3.562 ( 0.124 -6.291 15.500) 16.729 3.835 ( 9.670 0.568 5.540) 11.159 3.920 ( 7.038 -6.998 4.419) 10.865 4.140 ( -7.697 12.901 1.501) 15.097 4.369 ( -3.497 -6.716 3.058) 8.166 4.790 ( -2.740 9.877 6.015) 11.885 4.941 ( -4.454 -4.146 8.102) 10.133 5.244 ( 5.046 3.238 -0.804) 6.050 5.317 ( 4.401 -0.569 -3.729) 5.796 5.435 ( -0.650 -2.249 0.448) 2.383 5.442 ( -0.461 -0.570 -1.168) 1.379 5.888 ( 1.075 3.949 -12.216) 12.884 5.915 ( 2.466 1.476 -11.408) 11.764 6.966 ( 0.561 2.898 2.445) 3.833 7.017 ( 0.675 -1.756 1.258) 2.263 7.353 ( 4.701 1.820 3.573) 6.179 7.415 ( 5.143 -3.797 2.216) 6.766 7.707 ( -10.301 6.038 3.113) 12.340 7.791 ( -9.254 -1.814 1.051) 9.488 8.198 ( 0.911 7.582 10.123) 12.681 8.386 ( 6.992 -9.952 13.010) 17.810 8.614 ( 1.207 9.992 -5.097) 11.282 8.854 ( 0.963 -12.012 -4.545) 12.879 9.360 ( -2.287 6.414 1.366) 6.945 9.421 ( 3.249 7.383 -1.117) 8.143 9.491 ( -1.642 -5.325 6.759) 8.760 9.582 ( 0.555 -7.105 0.987) 7.195 10.021 ( -0.981 9.199 -6.099) 11.080 10.134 ( 2.571 -1.296 -8.021) 8.522 10.514 ( 0.702 7.329 9.446) 11.976 10.636 ( 7.130 -4.959 9.662) 12.992 11.295 ( -12.541 6.156 -5.968) 15.191 11.400 ( -13.921 -3.803 -7.489) 16.259 11.712 ( -1.221 6.639 3.367) 7.543 11.827 ( -3.912 -4.504 3.821) 7.085 12.232 ( 9.115 2.474 5.788) 11.077 12.302 ( 8.191 -2.108 -0.320) 8.464 12.344 ( -10.462 3.999 3.980) 11.886 12.467 ( -6.881 -4.984 0.992) 8.555 13.735 ( 9.819 3.045 3.565) 10.881 13.822 ( 12.492 -4.468 5.543) 14.378 14.136 ( -13.287 8.869 1.447) 16.041 14.333 ( -16.733 -9.941 -0.782) 19.479 14.527 ( -2.807 3.064 -3.367) 5.348 14.664 ( -1.583 -9.981 -2.356) 10.377 16.138 ( 9.781 7.986 5.891) 13.934 16.304 ( 6.295 -7.172 5.249) 10.892 16.723 ( 6.220 10.547 -4.489) 13.041 16.892 ( 1.141 -4.852 -8.058) 9.475 17.514 ( -4.127 5.566 14.475) 16.048 17.680 ( -3.917 -10.000 13.799) 17.486 18.295 ( 4.450 1.089 0.517) 4.610 18.362 ( 1.557 -5.044 -0.887) 5.352 18.761 ( -6.881 7.460 5.647) 11.614 18.921 ( -4.406 -7.517 3.409) 9.356 20.127 ( 0.837 15.246 -11.734) 19.257 20.486 ( 2.044 -18.649 -19.467) 27.036 23.384 ( -2.483 10.769 15.801) 19.283 23.612 ( -1.254 -10.940 12.708) 16.816 24.784 ( 2.957 4.878 -23.623) 24.302 24.901 ( 3.973 -6.166 -23.266) 24.395 ======================= Grid point 158 (88/125) ======================= q-point: (-0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.181 3.423 1.784) 4.433 1.897 ( 0.494 -10.134 -0.717) 10.171 2.124 ( -0.577 2.146 -1.969) 2.969 2.161 ( -1.550 -1.661 -2.535) 3.404 2.689 ( 0.500 2.807 -1.362) 3.159 2.777 ( -1.029 -3.452 1.044) 3.750 2.788 ( -7.184 11.713 2.662) 13.996 2.966 ( -1.116 -5.425 -1.839) 5.836 3.193 ( 3.235 0.498 8.764) 9.355 3.238 ( -1.019 -0.494 12.934) 12.984 3.450 ( 2.012 6.274 11.233) 13.023 3.565 ( -3.960 -4.739 14.531) 15.789 3.865 ( -6.565 4.220 6.353) 10.063 3.992 ( -0.791 -7.036 4.431) 8.353 4.165 ( 6.429 6.112 2.493) 9.214 4.353 ( 2.290 -7.091 -1.061) 7.527 4.696 ( -7.935 12.693 7.882) 16.918 4.870 ( -4.577 -3.017 8.570) 10.173 5.259 ( -3.635 -0.876 1.042) 3.882 5.281 ( -7.348 -0.997 -0.371) 7.425 5.450 ( 3.420 2.196 -3.126) 5.127 5.483 ( 4.770 -1.172 -4.172) 6.445 5.878 ( 1.405 5.423 -11.128) 12.458 5.939 ( 2.728 -0.250 -9.586) 9.970 6.890 ( -8.231 1.609 2.854) 8.859 6.927 ( -8.336 -2.116 1.657) 8.758 7.461 ( -5.180 3.630 9.051) 11.042 7.486 ( 3.657 0.189 1.443) 3.936 7.603 ( 1.342 0.467 0.508) 1.509 7.648 ( -0.891 -3.281 -2.373) 4.147 8.319 ( 6.361 12.731 14.224) 20.121 8.580 ( 7.484 -10.735 13.998) 19.162 8.633 ( 1.949 8.679 -7.086) 11.372 8.834 ( -1.094 -9.600 -8.458) 12.841 9.327 ( -1.319 9.224 5.295) 10.717 9.439 ( -1.291 1.832 5.382) 5.830 9.520 ( 2.260 -1.497 -1.067) 2.913 9.606 ( 1.386 -6.428 -1.778) 6.812 9.959 ( -2.805 7.859 -4.589) 9.523 10.118 ( -1.662 -4.925 -5.278) 7.408 10.625 ( 7.024 10.602 9.298) 15.754 10.807 ( 5.417 -6.597 9.596) 12.843 11.019 ( -11.275 5.921 -7.540) 14.800 11.146 ( -10.007 -5.982 -8.112) 14.203 11.777 ( 5.872 2.632 6.955) 9.475 11.814 ( 3.184 -0.133 3.319) 4.601 12.209 ( -3.542 7.195 3.323) 8.681 12.313 ( -2.151 -2.346 3.607) 4.811 12.467 ( 10.086 -0.200 -0.154) 10.089 12.519 ( 8.610 -4.358 -0.844) 9.687 13.783 ( -6.112 6.507 9.173) 12.800 13.905 ( -7.266 -5.011 4.434) 9.877 13.958 ( -4.186 1.620 -2.294) 5.041 14.125 ( -3.652 -10.892 -1.130) 11.543 14.586 ( 11.374 7.469 -1.795) 13.725 14.761 ( 11.663 -9.206 -3.175) 15.194 16.315 ( 4.828 5.052 7.213) 10.043 16.375 ( -1.291 1.054 4.859) 5.137 16.674 ( -8.342 4.971 -5.229) 11.029 16.787 ( -8.994 -4.063 -9.228) 13.511 17.490 ( -2.785 2.954 15.349) 15.877 17.623 ( -5.232 -9.680 13.622) 17.511 18.422 ( 8.559 0.639 -1.988) 8.810 18.450 ( 7.293 -2.088 -2.308) 7.929 18.702 ( -1.285 7.439 8.177) 11.129 18.880 ( -1.583 -9.007 5.225) 10.533 20.086 ( -0.887 15.036 -12.161) 19.359 20.434 ( -1.155 -17.833 -19.409) 26.383 23.395 ( -1.432 10.902 15.900) 19.331 23.625 ( -1.562 -10.994 12.874) 17.001 24.773 ( 3.458 5.508 -23.820) 24.692 24.900 ( 3.359 -6.546 -23.444) 24.571 ======================= Grid point 159 (89/125) ======================= q-point: (-0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 1.331 5.114 2.028) 5.660 1.942 ( 3.417 -8.403 0.576) 9.090 2.091 ( -2.413 4.003 -3.513) 5.847 2.153 ( 0.836 -1.688 2.775) 3.354 2.646 ( -6.076 8.507 0.371) 10.461 2.685 ( -0.429 0.836 -1.177) 1.506 2.742 ( -2.799 -2.146 -0.316) 3.541 2.862 ( -8.112 -10.434 -0.673) 13.234 3.205 ( -2.636 4.799 3.916) 6.732 3.265 ( -1.062 1.605 8.169) 8.393 3.496 ( -1.537 2.614 9.705) 10.167 3.521 ( -4.163 -3.369 11.560) 12.740 3.787 ( -4.353 2.255 13.304) 14.179 3.949 ( -5.078 -8.873 6.352) 12.036 4.221 ( 0.491 6.831 -1.299) 6.970 4.405 ( 0.753 -6.808 -7.572) 10.210 4.606 ( -2.531 18.408 11.920) 22.076 4.845 ( -1.057 -3.198 9.153) 9.753 5.085 ( -11.189 1.450 0.887) 11.318 5.162 ( -6.222 -6.367 2.918) 9.369 5.522 ( 5.219 5.024 -5.454) 9.068 5.586 ( 6.977 -1.484 -3.931) 8.145 5.854 ( -0.852 6.021 -10.605) 12.225 5.938 ( -0.228 -1.690 -8.133) 8.310 6.736 ( -7.760 1.186 2.618) 8.275 6.769 ( -7.812 -2.050 0.604) 8.100 7.331 ( -9.068 3.209 10.195) 14.017 7.385 ( -10.210 -2.518 8.478) 13.508 7.740 ( 9.957 1.263 -0.953) 10.082 7.782 ( 10.141 -3.210 -2.529) 10.933 8.472 ( 5.052 12.794 10.901) 17.551 8.616 ( -1.984 7.413 -5.573) 9.485 8.716 ( 2.697 -8.274 10.382) 13.547 8.780 ( -1.242 -6.205 -9.545) 11.453 9.345 ( 1.171 10.016 3.228) 10.588 9.414 ( -2.102 1.751 2.624) 3.791 9.534 ( -0.606 -0.979 -0.983) 1.514 9.627 ( 2.293 -6.364 -4.482) 8.115 9.910 ( -2.051 4.029 1.245) 4.689 10.064 ( -2.475 -6.629 0.820) 7.124 10.686 ( -9.842 6.219 1.901) 11.797 10.756 ( -2.745 0.602 8.136) 8.608 11.012 ( 5.868 2.500 -1.549) 6.564 11.111 ( 10.986 -5.333 0.408) 12.219 11.898 ( 5.691 5.199 5.143) 9.266 11.970 ( 6.574 -1.113 6.539) 9.338 12.232 ( 3.613 5.261 0.445) 6.398 12.308 ( 3.800 -1.632 1.679) 4.463 12.626 ( 5.397 -0.339 -0.882) 5.479 12.644 ( 4.867 -2.811 -4.687) 7.319 13.588 ( -15.138 3.312 4.717) 16.198 13.628 ( -18.583 -0.686 -1.183) 18.634 14.035 ( 11.690 4.721 5.313) 13.681 14.253 ( 16.187 -15.701 3.606) 22.837 14.865 ( 15.985 6.674 -0.187) 17.323 15.009 ( 13.360 -7.208 -2.150) 15.331 16.157 ( -17.101 14.582 -3.275) 22.712 16.383 ( -5.783 -5.410 2.273) 8.238 16.485 ( -10.254 -0.560 0.835) 10.303 16.519 ( -13.173 -4.617 -5.772) 15.105 17.498 ( -1.466 2.366 16.597) 16.829 17.607 ( -0.994 -7.431 15.434) 17.159 18.520 ( 0.321 4.339 -5.299) 6.856 18.568 ( 5.682 -0.675 -6.361) 8.556 18.797 ( 8.359 1.984 9.117) 12.527 18.907 ( 3.577 -8.053 9.337) 12.839 20.037 ( -0.041 13.228 -12.728) 18.358 20.334 ( -3.099 -15.106 -18.533) 24.110 23.420 ( -1.094 9.687 15.750) 18.523 23.627 ( -2.351 -10.070 12.933) 16.558 24.775 ( 4.238 4.909 -24.008) 24.868 24.890 ( 3.028 -6.071 -23.670) 24.623 ======================= Grid point 160 (90/125) ======================= q-point: (-0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -3.250 10.079 2.429) 10.865 1.968 ( -2.059 -5.850 3.014) 6.895 2.049 ( 0.237 6.714 -4.424) 8.044 2.186 ( 1.229 -4.594 3.349) 5.817 2.564 ( -2.576 5.447 0.342) 6.035 2.646 ( -6.990 -1.878 1.267) 7.348 2.712 ( 3.592 -0.954 0.075) 3.717 2.774 ( 1.091 -8.557 -1.108) 8.698 3.147 ( -2.953 3.907 -0.726) 4.951 3.249 ( -2.479 -3.353 3.986) 5.769 3.440 ( -6.093 4.050 10.030) 12.415 3.486 ( -3.278 -2.267 7.866) 8.818 3.747 ( -4.970 -3.254 14.752) 15.903 3.840 ( -8.136 -8.003 6.637) 13.202 4.229 ( 1.379 7.088 -2.953) 7.801 4.341 ( -3.172 -0.757 -3.778) 4.991 4.633 ( 0.274 18.306 7.930) 19.952 4.856 ( -0.555 -2.371 5.680) 6.180 4.912 ( -6.668 4.427 3.030) 8.558 5.101 ( -1.255 -11.985 6.434) 13.661 5.595 ( 3.577 7.134 -7.197) 10.747 5.696 ( 4.372 -2.505 -5.397) 7.384 5.794 ( -0.687 6.699 -9.780) 11.874 5.896 ( -0.898 -2.618 -7.320) 7.826 6.632 ( -3.756 1.220 3.181) 5.071 6.657 ( -3.870 -0.921 1.647) 4.305 7.200 ( -7.538 1.343 9.157) 11.937 7.238 ( -7.000 -3.318 8.263) 11.327 7.908 ( 7.091 1.708 1.265) 7.403 7.958 ( 8.164 -3.452 -0.351) 8.871 8.529 ( -3.629 7.510 -5.285) 9.874 8.583 ( 2.072 10.106 11.728) 15.620 8.715 ( -1.844 -7.499 -10.723) 13.214 8.766 ( -0.978 -5.199 9.298) 10.698 9.322 ( -2.961 13.367 -4.481) 14.406 9.442 ( 3.583 1.936 3.135) 5.140 9.508 ( -1.957 -3.879 0.602) 4.386 9.663 ( 3.139 -10.277 -6.613) 12.617 9.888 ( -0.965 5.879 5.836) 8.340 10.041 ( -1.195 -5.927 3.829) 7.157 10.538 ( -6.002 7.411 5.145) 10.836 10.669 ( -5.776 -4.738 5.106) 9.049 11.228 ( 12.929 6.927 5.431) 15.641 11.360 ( 13.023 -5.067 4.550) 14.696 11.951 ( -1.592 5.980 1.696) 6.417 12.041 ( -1.407 -2.052 2.639) 3.627 12.328 ( 10.291 10.678 -1.305) 14.888 12.497 ( 9.253 -1.798 5.983) 11.165 12.635 ( -3.267 -0.128 -4.052) 5.207 12.686 ( 1.526 -6.625 -4.280) 8.034 13.255 ( -17.457 2.596 -3.328) 17.959 13.316 ( -13.365 -2.183 0.078) 13.542 14.421 ( 24.946 8.669 7.898) 27.565 14.671 ( 22.994 -15.070 6.897) 28.344 15.129 ( 9.441 2.660 1.088) 9.869 15.171 ( 1.695 -1.201 0.281) 2.096 15.826 ( -12.634 12.864 -4.530) 18.591 16.071 ( -17.029 -10.461 -7.492) 21.344 16.306 ( -9.870 -0.480 -2.331) 10.153 16.337 ( -9.697 -3.848 3.606) 11.038 17.533 ( -0.558 3.930 17.474) 17.919 17.646 ( -0.594 -6.313 16.110) 17.313 18.468 ( -3.004 5.193 -5.835) 8.369 18.560 ( -3.098 -3.431 -8.025) 9.261 19.002 ( 9.040 1.855 8.682) 12.671 19.076 ( 8.424 -5.463 11.771) 15.471 20.018 ( 2.257 9.081 -14.522) 17.275 20.226 ( -1.512 -10.864 -17.699) 20.823 23.442 ( -1.677 7.784 15.466) 17.395 23.614 ( -3.006 -8.622 12.850) 15.764 24.789 ( 4.828 3.338 -24.040) 24.747 24.876 ( 3.040 -4.921 -23.798) 24.491 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 14.872 0.000 13.155) 19.855 1.480 ( -14.409 0.000 -4.605) 15.127 1.843 ( 2.154 0.000 28.735) 28.816 2.314 ( -6.058 0.000 -5.327) 8.067 2.334 ( 9.003 0.000 2.110) 9.247 2.416 ( -6.096 0.000 -20.219) 21.118 2.845 ( -5.010 0.000 6.961) 8.577 2.868 ( 1.295 0.000 1.644) 2.093 3.169 ( 4.654 0.000 1.373) 4.852 3.242 ( -0.713 0.000 -6.091) 6.133 3.457 ( 6.798 0.000 31.736) 32.456 3.976 ( -9.752 0.000 -20.471) 22.675 4.229 ( 1.278 0.000 13.937) 13.996 4.424 ( -4.556 0.000 18.792) 19.336 4.455 ( -5.444 0.000 -7.366) 9.159 4.475 ( 0.447 0.000 5.061) 5.081 4.603 ( 6.904 0.000 -11.059) 13.037 4.664 ( -5.665 0.000 18.917) 19.747 4.754 ( 0.657 0.000 12.543) 12.560 4.767 ( 0.489 0.000 -13.011) 13.020 4.910 ( 2.865 0.000 -15.233) 15.500 5.101 ( 3.155 0.000 -16.677) 16.973 5.605 ( 8.097 0.000 0.271) 8.102 5.625 ( -6.259 0.000 -0.326) 6.267 6.465 ( 1.193 0.000 3.680) 3.868 6.552 ( -0.410 0.000 -4.808) 4.826 7.341 ( 4.081 0.000 8.735) 9.641 7.481 ( 0.061 0.000 -4.595) 4.595 7.937 ( 7.990 0.000 0.953) 8.047 7.960 ( -10.090 0.000 0.014) 10.090 8.054 ( -3.067 0.000 -0.280) 3.079 8.090 ( 2.129 0.000 -3.533) 4.125 8.413 ( 4.120 0.000 -0.676) 4.175 8.421 ( -3.276 0.000 -1.679) 3.682 9.280 ( 4.263 0.000 10.247) 11.098 9.485 ( -1.873 0.000 -10.863) 11.023 9.676 ( -2.257 0.000 1.342) 2.625 9.718 ( -2.278 0.000 -2.335) 3.262 10.078 ( 5.503 0.000 8.356) 10.005 10.101 ( -2.814 0.000 14.471) 14.742 10.316 ( 0.468 0.000 -5.198) 5.219 10.518 ( 4.429 0.000 -18.088) 18.622 11.244 ( 7.528 0.000 12.020) 14.183 11.481 ( -8.214 0.000 -12.533) 14.985 11.553 ( -5.576 0.000 8.794) 10.413 11.718 ( -3.715 0.000 -7.552) 8.416 12.075 ( -10.829 0.000 8.233) 13.603 12.191 ( 10.678 0.000 -3.488) 11.233 12.973 ( 14.325 0.000 4.398) 14.985 13.053 ( -19.416 0.000 -2.058) 19.525 13.285 ( -5.717 0.000 1.901) 6.025 13.297 ( 6.023 0.000 0.358) 6.033 13.817 ( 4.670 0.000 0.712) 4.724 13.879 ( -8.152 0.000 -5.281) 9.713 15.276 ( 9.076 0.000 3.244) 9.639 15.285 ( -1.794 0.000 1.993) 2.682 16.021 ( 10.138 0.000 5.985) 11.773 16.177 ( -10.241 0.000 -10.192) 14.448 16.643 ( -1.020 0.000 12.044) 12.087 16.853 ( 2.999 0.000 -9.760) 10.210 17.948 ( -10.176 0.000 12.454) 16.083 18.108 ( 6.645 0.000 -2.499) 7.099 18.299 ( 10.186 0.000 0.169) 10.187 18.354 ( -8.664 0.000 -7.024) 11.153 19.314 ( -1.372 0.000 11.230) 11.313 19.529 ( -2.261 0.000 -11.204) 11.430 20.034 ( 0.699 0.000 26.228) 26.237 20.579 ( 4.117 0.000 -30.773) 31.047 23.994 ( -7.083 0.000 21.220) 22.371 24.302 ( 0.700 0.000 20.837) 20.849 24.378 ( 7.513 0.000 -19.866) 21.239 24.736 ( 0.591 0.000 -23.295) 23.302 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -5.641 0.000 -2.202) 6.056 1.685 ( 19.052 0.000 9.286) 21.194 1.984 ( 4.593 0.000 22.165) 22.636 2.123 ( -10.672 0.000 1.629) 10.796 2.330 ( 3.161 0.000 -24.796) 24.996 2.484 ( 4.624 0.000 5.268) 7.010 2.780 ( -3.154 0.000 0.835) 3.262 2.899 ( 2.113 0.000 5.228) 5.639 3.264 ( 2.371 0.000 -6.956) 7.349 3.332 ( 9.717 0.000 0.205) 9.719 3.702 ( 7.673 0.000 36.003) 36.812 3.796 ( -0.930 0.000 -20.076) 20.097 4.149 ( -9.940 0.000 13.091) 16.437 4.202 ( -14.066 0.000 -9.304) 16.865 4.399 ( -4.194 0.000 12.155) 12.858 4.442 ( -4.634 0.000 10.176) 11.182 4.620 ( -5.162 0.000 22.504) 23.088 4.629 ( 0.373 0.000 -13.267) 13.272 4.851 ( 9.791 0.000 -10.505) 14.360 4.913 ( 8.037 0.000 12.173) 14.587 4.951 ( 4.177 0.000 -13.842) 14.458 5.148 ( 7.275 0.000 -19.643) 20.947 5.490 ( -6.687 0.000 -1.814) 6.929 5.722 ( 3.415 0.000 -1.516) 3.737 6.572 ( 8.325 0.000 3.960) 9.219 6.605 ( 7.392 0.000 -5.406) 9.158 7.450 ( 4.649 0.000 5.987) 7.580 7.492 ( 2.920 0.000 -9.548) 9.984 7.722 ( -14.209 0.000 0.589) 14.221 7.989 ( -2.799 0.000 -2.042) 3.465 8.008 ( -3.790 0.000 5.369) 6.572 8.094 ( 0.612 0.000 -1.705) 1.811 8.361 ( -1.066 0.000 -3.209) 3.382 8.465 ( 1.017 0.000 0.253) 1.048 9.380 ( -4.953 0.000 -9.733) 10.920 9.390 ( 3.826 0.000 7.323) 8.262 9.600 ( -9.690 0.000 6.521) 11.680 9.655 ( -0.390 0.000 0.329) 0.510 10.085 ( -0.905 0.000 1.648) 1.880 10.212 ( 4.764 0.000 7.790) 9.131 10.218 ( -10.878 0.000 -2.794) 11.231 10.447 ( -5.558 0.000 -21.791) 22.489 11.148 ( -13.957 0.000 -12.655) 18.840 11.163 ( -4.706 0.000 23.837) 24.297 11.777 ( 8.730 0.000 10.977) 14.026 11.824 ( 8.772 0.000 -3.283) 9.366 11.891 ( -7.803 0.000 8.549) 11.574 12.359 ( 7.902 0.000 -4.963) 9.332 12.831 ( -4.870 0.000 -2.400) 5.429 13.083 ( -7.353 0.000 4.994) 8.888 13.423 ( 7.412 0.000 -0.133) 7.413 13.425 ( 19.660 0.000 6.514) 20.711 13.774 ( -0.340 0.000 0.847) 0.913 13.970 ( 9.932 0.000 3.190) 10.431 15.248 ( -1.055 0.000 -3.657) 3.806 15.485 ( 11.977 0.000 -6.057) 13.421 15.926 ( -11.283 0.000 -6.855) 13.202 16.203 ( 4.150 0.000 3.622) 5.508 16.597 ( -4.772 0.000 11.526) 12.474 16.795 ( -5.968 0.000 -12.630) 13.969 17.802 ( -8.352 0.000 12.761) 15.251 18.148 ( -1.068 0.000 3.204) 3.377 18.322 ( 7.401 0.000 -11.003) 13.260 18.522 ( 10.931 0.000 1.788) 11.077 19.224 ( -10.909 0.000 12.196) 16.363 19.349 ( -11.630 0.000 -6.135) 13.149 20.167 ( 3.746 0.000 23.894) 24.186 20.619 ( 9.442 0.000 -34.558) 35.825 23.842 ( -13.750 0.000 22.860) 26.677 24.377 ( -0.212 0.000 19.361) 19.362 24.397 ( 0.314 0.000 -21.928) 21.930 24.693 ( 3.272 0.000 -23.523) 23.750 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.417 0.000 5.082) 6.124 1.904 ( -6.468 0.000 4.877) 8.101 2.090 ( 14.947 0.000 -5.190) 15.823 2.148 ( 6.705 0.000 15.391) 16.788 2.373 ( 7.346 0.000 -12.397) 14.410 2.553 ( 1.062 0.000 6.702) 6.786 2.733 ( -0.769 0.000 -7.010) 7.052 2.916 ( -4.687 0.000 5.889) 7.527 3.227 ( -3.422 0.000 -5.763) 6.702 3.432 ( -0.885 0.000 -2.272) 2.438 3.866 ( 13.061 0.000 -17.959) 22.206 3.890 ( -2.495 0.000 31.776) 31.874 3.987 ( -3.361 0.000 -8.972) 9.581 4.050 ( -2.398 0.000 17.885) 18.045 4.350 ( -2.508 0.000 5.580) 6.118 4.410 ( -2.872 0.000 18.773) 18.991 4.592 ( 0.443 0.000 -13.834) 13.841 4.597 ( -4.643 0.000 26.075) 26.485 4.941 ( 2.895 0.000 -20.324) 20.529 5.030 ( 8.183 0.000 -4.683) 9.428 5.060 ( 3.664 0.000 11.802) 12.357 5.221 ( 5.849 0.000 -21.125) 21.920 5.386 ( -3.375 0.000 -1.722) 3.789 5.711 ( -3.453 0.000 -4.354) 5.557 6.769 ( 9.809 0.000 5.802) 11.396 6.776 ( 11.522 0.000 -6.005) 12.993 7.424 ( -15.367 0.000 6.986) 16.880 7.513 ( 2.204 0.000 -14.132) 14.303 7.559 ( 2.602 0.000 4.670) 5.346 7.877 ( -9.632 0.000 7.570) 12.251 7.957 ( 0.776 0.000 -6.279) 6.326 8.070 ( -2.902 0.000 -2.665) 3.940 8.377 ( 2.303 0.000 0.155) 2.308 8.464 ( -0.205 0.000 -0.932) 0.954 9.275 ( -3.041 0.000 -5.737) 6.493 9.393 ( -6.575 0.000 1.243) 6.691 9.497 ( -2.370 0.000 15.059) 15.244 9.649 ( 0.079 0.000 -3.939) 3.940 9.961 ( -10.569 0.000 -6.446) 12.380 10.077 ( -3.283 0.000 8.120) 8.759 10.176 ( -13.056 0.000 -19.780) 23.700 10.275 ( 0.167 0.000 -1.589) 1.598 11.053 ( 6.348 0.000 -7.213) 9.608 11.282 ( 6.186 0.000 26.602) 27.312 11.654 ( -11.262 0.000 5.084) 12.357 11.931 ( 3.659 0.000 -4.722) 5.974 12.012 ( 5.285 0.000 12.344) 13.428 12.441 ( 1.985 0.000 -7.769) 8.018 12.805 ( 2.370 0.000 -5.014) 5.546 12.940 ( -7.762 0.000 6.504) 10.127 13.577 ( 8.921 0.000 -2.158) 9.178 13.639 ( 1.357 0.000 7.416) 7.539 14.008 ( 18.634 0.000 8.919) 20.659 14.179 ( 10.527 0.000 2.550) 10.832 15.239 ( 0.826 0.000 -1.800) 1.980 15.522 ( -4.971 0.000 -19.095) 19.732 15.910 ( 11.258 0.000 3.590) 11.817 16.107 ( -12.478 0.000 1.737) 12.599 16.576 ( -11.381 0.000 -13.128) 17.375 16.622 ( 2.230 0.000 6.816) 7.172 17.744 ( -1.447 0.000 16.928) 16.990 18.210 ( 6.501 0.000 3.530) 7.397 18.436 ( 6.518 0.000 -9.701) 11.687 18.667 ( 3.037 0.000 1.661) 3.461 19.011 ( -13.877 0.000 10.075) 17.149 19.126 ( -9.228 0.000 -3.634) 9.918 20.272 ( -0.567 0.000 22.680) 22.687 20.697 ( 9.110 0.000 -34.359) 35.546 23.657 ( -12.837 0.000 27.359) 30.221 24.283 ( -3.074 0.000 -27.470) 27.641 24.409 ( -1.932 0.000 17.752) 17.857 24.716 ( 5.577 0.000 -21.608) 22.316 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.530 0.000 12.612) 13.771 1.749 ( -8.765 0.000 -3.806) 9.556 2.319 ( 6.795 0.000 9.549) 11.720 2.351 ( 12.606 0.000 -5.276) 13.666 2.517 ( 7.983 0.000 1.460) 8.115 2.531 ( -7.109 0.000 7.166) 10.094 2.721 ( 3.874 0.000 -14.906) 15.402 2.750 ( -11.695 0.000 0.772) 11.721 3.182 ( 1.702 0.000 -1.460) 2.243 3.303 ( -10.116 0.000 0.059) 10.116 3.803 ( -12.318 0.000 19.505) 23.069 3.989 ( 7.896 0.000 -14.305) 16.340 4.068 ( -6.156 0.000 25.228) 25.968 4.141 ( 15.641 0.000 -7.356) 17.284 4.329 ( -2.580 0.000 9.355) 9.704 4.464 ( 1.974 0.000 16.494) 16.611 4.572 ( 2.142 0.000 -15.361) 15.510 4.624 ( -0.956 0.000 28.271) 28.288 4.902 ( -0.305 0.000 -19.327) 19.329 5.133 ( -0.012 0.000 10.009) 10.009 5.158 ( 6.284 0.000 -8.320) 10.427 5.225 ( 1.364 0.000 -18.637) 18.687 5.369 ( 2.744 0.000 -0.151) 2.748 5.585 ( -7.358 0.000 -7.046) 10.188 6.926 ( 2.049 0.000 7.632) 7.903 6.972 ( 10.124 0.000 -6.433) 11.995 7.169 ( -11.657 0.000 13.547) 17.872 7.455 ( -4.024 0.000 -12.816) 13.433 7.639 ( 3.950 0.000 6.302) 7.437 7.761 ( -3.765 0.000 4.732) 6.047 7.967 ( 2.383 0.000 -7.746) 8.104 7.990 ( -3.677 0.000 -4.386) 5.724 8.409 ( 0.052 0.000 2.858) 2.859 8.475 ( 1.814 0.000 -3.384) 3.840 9.243 ( 1.287 0.000 -3.625) 3.846 9.281 ( -4.284 0.000 0.629) 4.330 9.483 ( -4.459 0.000 14.365) 15.042 9.650 ( 2.523 0.000 -6.066) 6.570 9.790 ( -5.658 0.000 -3.059) 6.431 9.926 ( -6.534 0.000 -15.726) 17.030 10.042 ( -3.155 0.000 12.002) 12.410 10.262 ( 0.427 0.000 -7.296) 7.309 11.238 ( 12.453 0.000 -2.477) 12.697 11.426 ( -7.148 0.000 5.950) 9.301 11.514 ( 2.629 0.000 19.700) 19.874 11.948 ( 0.887 0.000 -10.203) 10.242 12.129 ( 4.262 0.000 10.047) 10.913 12.379 ( -4.982 0.000 -7.422) 8.939 12.852 ( -4.189 0.000 5.717) 7.087 12.867 ( 5.236 0.000 -5.003) 7.242 13.656 ( -1.870 0.000 8.556) 8.758 13.729 ( 7.543 0.000 -4.839) 8.962 14.289 ( 6.748 0.000 7.433) 10.039 14.362 ( 7.826 0.000 -0.954) 7.884 15.229 ( -4.271 0.000 6.005) 7.369 15.399 ( -0.945 0.000 -13.562) 13.595 15.905 ( -5.773 0.000 3.080) 6.543 16.073 ( -0.607 0.000 -7.245) 7.270 16.431 ( 4.603 0.000 -3.105) 5.552 16.612 ( -5.191 0.000 -1.489) 5.400 17.866 ( 7.480 0.000 21.750) 23.000 18.341 ( 1.854 0.000 -3.594) 4.044 18.492 ( 3.806 0.000 -3.364) 5.079 18.652 ( -4.052 0.000 0.284) 4.062 18.837 ( -4.574 0.000 7.913) 9.140 18.983 ( -4.859 0.000 -4.164) 6.399 20.279 ( -5.560 0.000 22.804) 23.472 20.750 ( 6.723 0.000 -31.562) 32.270 23.541 ( -8.266 0.000 31.377) 32.447 24.161 ( -0.060 0.000 -29.686) 29.686 24.415 ( -2.886 0.000 16.581) 16.830 24.756 ( 5.160 0.000 -21.076) 21.699 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.814 0.000 18.705) 19.090 1.543 ( -11.865 0.000 -4.840) 12.814 2.327 ( -10.979 0.000 -1.620) 11.098 2.432 ( -5.183 0.000 11.346) 12.474 2.489 ( 2.757 0.000 -9.255) 9.657 2.561 ( -3.175 0.000 -0.661) 3.243 2.631 ( 4.226 0.000 0.525) 4.258 2.850 ( 13.080 0.000 -8.953) 15.851 3.130 ( -6.645 0.000 2.986) 7.285 3.282 ( 7.123 0.000 2.231) 7.465 3.569 ( -18.912 0.000 28.122) 33.890 3.977 ( -7.962 0.000 10.047) 12.820 4.126 ( 9.957 0.000 -13.552) 16.816 4.318 ( -1.729 0.000 12.924) 13.039 4.357 ( 7.417 0.000 -4.403) 8.625 4.531 ( -0.907 0.000 17.866) 17.889 4.574 ( 2.267 0.000 -17.742) 17.886 4.699 ( -0.981 0.000 27.425) 27.443 4.834 ( 0.342 0.000 -20.513) 20.516 5.096 ( -5.732 0.000 5.342) 7.835 5.125 ( -1.603 0.000 -21.672) 21.731 5.270 ( 4.615 0.000 -3.034) 5.523 5.415 ( -7.497 0.000 -8.699) 11.483 5.489 ( 7.803 0.000 3.854) 8.703 6.821 ( -11.162 0.000 9.347) 14.558 7.042 ( -3.871 0.000 -4.666) 6.063 7.148 ( 0.060 0.000 18.430) 18.430 7.392 ( 4.544 0.000 -8.366) 9.520 7.716 ( -3.054 0.000 -0.691) 3.131 7.755 ( 6.629 0.000 5.437) 8.574 7.934 ( -0.189 0.000 -5.312) 5.315 8.008 ( 4.151 0.000 -6.336) 7.574 8.407 ( -0.279 0.000 3.158) 3.171 8.483 ( -0.478 0.000 -3.992) 4.021 9.225 ( -2.679 0.000 -2.467) 3.642 9.301 ( 5.565 0.000 -3.028) 6.335 9.463 ( 0.835 0.000 15.187) 15.210 9.726 ( 6.476 0.000 -2.534) 6.954 9.738 ( 0.209 0.000 1.899) 1.910 9.813 ( -1.794 0.000 -12.745) 12.871 10.043 ( -0.639 0.000 14.918) 14.932 10.259 ( 1.948 0.000 -9.815) 10.006 11.219 ( -12.318 0.000 0.437) 12.326 11.470 ( 12.271 0.000 -1.370) 12.347 11.677 ( 5.080 0.000 17.378) 18.105 11.905 ( -1.190 0.000 -18.430) 18.468 12.238 ( 3.788 0.000 8.599) 9.396 12.268 ( -3.943 0.000 -4.668) 6.111 12.779 ( -5.164 0.000 3.720) 6.365 12.956 ( 5.578 0.000 -5.161) 7.599 13.611 ( -5.238 0.000 7.173) 8.882 13.814 ( 2.981 0.000 -7.717) 8.273 14.325 ( -3.156 0.000 3.230) 4.516 14.429 ( -1.300 0.000 -6.998) 7.117 15.129 ( -6.194 0.000 14.363) 15.641 15.346 ( -4.335 0.000 -6.758) 8.029 15.942 ( 5.734 0.000 5.821) 8.171 16.015 ( 4.010 0.000 -8.024) 8.970 16.433 ( -11.050 0.000 -3.922) 11.726 16.611 ( 9.782 0.000 -1.026) 9.836 18.079 ( 5.547 0.000 20.500) 21.237 18.190 ( -9.813 0.000 -11.410) 15.050 18.529 ( -8.513 0.000 -3.417) 9.173 18.617 ( 5.777 0.000 3.407) 6.707 18.887 ( 5.708 0.000 5.196) 7.719 18.955 ( 5.232 0.000 -3.548) 6.321 20.210 ( -8.850 0.000 24.659) 26.199 20.763 ( 4.051 0.000 -27.907) 28.200 23.541 ( -1.966 0.000 34.828) 34.883 24.116 ( 4.642 0.000 -28.629) 29.003 24.399 ( -3.927 0.000 15.683) 16.168 24.783 ( 4.318 0.000 -21.210) 21.645 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -13.682 0.000 1.306) 13.744 1.631 ( 0.812 0.000 25.488) 25.501 2.132 ( -10.283 0.000 -6.224) 12.020 2.219 ( -11.250 0.000 6.487) 12.986 2.456 ( -0.451 0.000 -16.006) 16.013 2.650 ( 6.936 0.000 1.992) 7.217 2.659 ( -1.050 0.000 -3.873) 4.012 3.014 ( 0.865 0.000 5.848) 5.912 3.151 ( 7.829 0.000 -6.625) 10.256 3.316 ( -15.489 0.000 37.516) 40.588 3.392 ( 2.027 0.000 2.072) 2.899 3.876 ( -2.254 0.000 4.076) 4.658 4.255 ( 6.934 0.000 -12.066) 13.916 4.347 ( 0.535 0.000 13.828) 13.839 4.425 ( 2.917 0.000 -5.130) 5.901 4.497 ( -3.513 0.000 -20.078) 20.383 4.533 ( -4.905 0.000 21.345) 21.902 4.728 ( -4.047 0.000 23.711) 24.054 4.802 ( 2.103 0.000 -21.391) 21.494 4.976 ( -7.981 0.000 4.983) 9.409 5.061 ( 1.825 0.000 -20.453) 20.534 5.256 ( -7.082 0.000 -5.685) 9.082 5.350 ( 5.020 0.000 -3.024) 5.860 5.634 ( 5.264 0.000 4.545) 6.954 6.648 ( -9.674 0.000 7.448) 12.209 6.855 ( -11.585 0.000 -3.406) 12.075 7.197 ( -0.535 0.000 18.449) 18.457 7.544 ( 11.184 0.000 -5.122) 12.301 7.628 ( -5.359 0.000 -1.179) 5.487 7.918 ( 8.438 0.000 4.229) 9.438 7.952 ( 3.780 0.000 -6.132) 7.203 8.068 ( 3.029 0.000 -2.981) 4.250 8.431 ( -3.146 0.000 -5.121) 6.010 8.435 ( 2.038 0.000 1.692) 2.649 9.168 ( -2.341 0.000 5.166) 5.672 9.413 ( 6.393 0.000 -2.406) 6.830 9.617 ( 8.713 0.000 1.692) 8.876 9.753 ( -1.157 0.000 -7.512) 7.600 9.813 ( 6.586 0.000 14.281) 15.726 9.864 ( 7.409 0.000 -0.538) 7.429 10.125 ( 5.215 0.000 14.272) 15.195 10.284 ( 4.817 0.000 -12.289) 13.200 10.992 ( -10.505 0.000 -0.073) 10.505 11.681 ( 8.680 0.000 -5.845) 10.465 11.783 ( 1.114 0.000 11.008) 11.064 11.793 ( -2.186 0.000 -19.172) 19.296 12.187 ( -4.345 0.000 -5.084) 6.688 12.292 ( -1.405 0.000 8.210) 8.330 12.710 ( -1.980 0.000 4.101) 4.554 13.054 ( 6.591 0.000 -5.213) 8.403 13.513 ( -6.499 0.000 4.296) 7.790 13.792 ( -2.476 0.000 -8.747) 9.091 14.212 ( -18.597 0.000 -12.491) 22.402 14.231 ( -6.528 0.000 -1.904) 6.800 15.157 ( 2.959 0.000 18.842) 19.073 15.204 ( -7.081 0.000 1.052) 7.159 15.970 ( -6.584 0.000 -2.522) 7.051 16.182 ( 12.216 0.000 -5.776) 13.513 16.343 ( 4.926 0.000 9.915) 11.071 16.734 ( 4.191 0.000 -4.984) 6.512 18.016 ( -3.721 0.000 -10.416) 11.061 18.141 ( -3.811 0.000 14.330) 14.828 18.340 ( -8.907 0.000 -3.213) 9.469 18.672 ( -1.313 0.000 0.751) 1.512 19.036 ( 8.069 0.000 5.204) 9.601 19.173 ( 16.972 0.000 -5.718) 17.909 20.106 ( -9.882 0.000 27.166) 28.907 20.732 ( 0.887 0.000 -25.516) 25.531 23.677 ( 4.889 0.000 36.080) 36.410 24.162 ( 8.488 0.000 -25.704) 27.070 24.358 ( -5.217 0.000 15.261) 16.128 24.793 ( 3.393 0.000 -21.505) 21.771 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.576 0.000 11.213) 11.324 1.709 ( -1.349 0.000 22.136) 22.177 1.831 ( -16.409 0.000 5.211) 17.216 2.191 ( 4.543 0.000 -0.314) 4.554 2.399 ( -0.304 0.000 -18.533) 18.535 2.584 ( -5.289 0.000 -6.410) 8.310 2.787 ( 6.557 0.000 0.207) 6.560 2.946 ( -8.337 0.000 10.526) 13.428 3.182 ( -2.988 0.000 -4.945) 5.777 3.277 ( 0.786 0.000 31.870) 31.880 3.343 ( -6.242 0.000 -1.669) 6.461 4.012 ( 12.744 0.000 9.347) 15.804 4.229 ( -9.083 0.000 -16.378) 18.728 4.401 ( 7.381 0.000 -13.345) 15.250 4.414 ( 2.078 0.000 12.076) 12.254 4.481 ( -7.063 0.000 22.511) 23.593 4.530 ( 5.754 0.000 -8.010) 9.863 4.701 ( -5.151 0.000 20.390) 21.030 4.786 ( 3.043 0.000 -20.225) 20.453 4.835 ( -8.465 0.000 6.869) 10.902 5.011 ( -3.975 0.000 -16.795) 17.259 5.124 ( -2.552 0.000 -8.812) 9.175 5.456 ( 6.968 0.000 -0.616) 6.995 5.692 ( -0.652 0.000 2.783) 2.859 6.507 ( -6.353 0.000 4.345) 7.697 6.648 ( -8.033 0.000 -3.763) 8.870 7.252 ( 1.453 0.000 14.425) 14.498 7.527 ( -4.012 0.000 -1.049) 4.147 7.752 ( 11.191 0.000 -2.747) 11.523 8.027 ( 5.314 0.000 -5.796) 7.864 8.047 ( 1.735 0.000 2.920) 3.396 8.092 ( -0.207 0.000 -0.929) 0.952 8.367 ( -0.342 0.000 -4.440) 4.454 8.461 ( -0.308 0.000 0.320) 0.444 9.188 ( 1.839 0.000 9.723) 9.896 9.498 ( 2.916 0.000 -4.515) 5.374 9.713 ( 3.201 0.000 -5.149) 6.063 9.716 ( -0.908 0.000 -5.528) 5.602 9.976 ( 3.563 0.000 6.225) 7.172 10.024 ( 5.685 0.000 22.394) 23.104 10.292 ( 5.625 0.000 1.159) 5.743 10.398 ( 11.052 0.000 -14.798) 18.470 10.934 ( 7.892 0.000 7.848) 11.130 11.583 ( -4.368 0.000 -20.502) 20.963 11.754 ( -7.696 0.000 4.629) 8.980 11.896 ( 2.535 0.000 -2.306) 3.427 12.056 ( -2.766 0.000 -6.914) 7.446 12.229 ( -7.537 0.000 8.119) 11.078 12.761 ( 6.335 0.000 3.788) 7.381 13.172 ( 6.916 0.000 -3.395) 7.704 13.400 ( -6.388 0.000 2.038) 6.705 13.569 ( -25.729 0.000 -9.619) 27.468 13.823 ( -7.568 0.000 -4.396) 8.752 14.069 ( -9.006 0.000 -6.488) 11.100 15.155 ( 1.353 0.000 6.009) 6.160 15.270 ( 1.633 0.000 14.292) 14.385 15.880 ( 1.595 0.000 -0.462) 1.661 16.310 ( 0.809 0.000 -7.312) 7.357 16.534 ( 7.585 0.000 14.415) 16.289 16.787 ( 5.004 0.000 -8.246) 9.645 18.002 ( 4.531 0.000 -7.090) 8.414 18.078 ( -6.831 0.000 13.791) 15.390 18.213 ( -1.914 0.000 -3.025) 3.580 18.563 ( -9.357 0.000 -2.906) 9.798 19.213 ( 7.628 0.000 7.706) 10.843 19.456 ( 13.017 0.000 -11.609) 17.441 20.019 ( -7.238 0.000 28.089) 29.007 20.647 ( -1.088 0.000 -26.221) 26.243 23.906 ( 6.612 0.000 30.787) 31.489 24.269 ( 9.816 0.000 -22.250) 24.319 24.298 ( -5.583 0.000 16.520) 17.438 24.780 ( 2.018 0.000 -22.004) 22.097 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 12.663 2.359 13.689) 18.797 1.521 ( -12.176 3.232 -5.337) 13.682 1.920 ( 1.820 7.010 21.276) 22.475 2.277 ( 3.346 -0.288 -8.975) 9.582 2.378 ( -6.686 1.814 2.276) 7.292 2.459 ( 0.725 1.110 -11.777) 11.851 2.903 ( -6.598 6.405 7.263) 11.718 2.924 ( 2.589 4.563 1.896) 5.578 3.230 ( 3.955 4.665 0.587) 6.144 3.316 ( 0.285 5.959 -6.657) 8.939 3.529 ( 5.806 7.843 31.346) 32.830 3.951 ( -5.578 -6.509 -9.919) 13.110 4.004 ( -5.312 -16.277 6.673) 18.376 4.095 ( 1.940 -14.587 -1.426) 14.784 4.399 ( -4.237 -5.299 0.545) 6.807 4.409 ( 3.577 -11.384 3.923) 12.562 4.562 ( -2.889 -7.146 4.596) 8.974 4.594 ( -2.314 -2.036 -1.427) 3.396 4.795 ( 2.685 11.734 4.819) 12.966 4.972 ( 0.287 6.421 2.646) 6.951 5.044 ( 3.175 10.015 -11.799) 15.799 5.199 ( -0.258 6.245 -12.605) 14.070 5.607 ( 4.212 1.324 3.252) 5.484 5.666 ( -2.783 3.036 -2.674) 4.911 6.476 ( 1.122 1.698 2.851) 3.503 6.541 ( -0.303 -0.367 -3.751) 3.782 7.343 ( 3.009 -0.202 10.198) 10.634 7.489 ( -0.098 0.149 -4.150) 4.154 7.926 ( 3.298 0.122 -0.880) 3.416 7.942 ( -4.641 0.488 -2.493) 5.290 8.208 ( 0.536 13.393 1.301) 13.467 8.242 ( -0.819 9.601 -2.517) 9.959 8.437 ( 3.601 1.784 -0.087) 4.020 8.459 ( -2.903 3.607 -2.141) 5.101 9.302 ( 2.162 1.113 11.254) 11.514 9.498 ( -0.056 1.370 -9.353) 9.453 9.593 ( 2.990 -5.237 4.883) 7.759 9.691 ( -6.319 -1.779 -5.063) 8.291 9.991 ( -2.653 -3.939 15.596) 16.303 10.261 ( 4.424 7.510 2.240) 9.000 10.308 ( 1.004 -1.691 -6.199) 6.504 10.487 ( 1.355 -0.468 -11.304) 11.394 11.299 ( 12.591 4.391 10.681) 17.086 11.501 ( -10.267 2.957 -8.320) 13.541 11.615 ( -10.769 4.096 5.122) 12.609 11.738 ( 2.130 3.979 -6.138) 7.618 12.096 ( -9.530 1.129 4.804) 10.732 12.162 ( 8.253 -2.820 -1.954) 8.937 12.817 ( 9.514 -9.802 7.450) 15.559 12.918 ( -12.141 -6.945 -3.197) 14.347 13.254 ( -1.710 -2.307 0.706) 2.958 13.292 ( -0.033 -1.918 -2.723) 3.331 14.100 ( 5.030 20.518 0.007) 21.126 14.135 ( -8.753 20.622 -3.889) 22.738 15.246 ( 8.139 -2.705 4.428) 9.652 15.276 ( -0.793 -0.849 0.926) 1.486 15.989 ( 7.349 -3.289 6.089) 10.094 16.137 ( -7.875 -3.791 -8.999) 12.545 16.611 ( -2.884 -3.436 9.349) 10.369 16.780 ( 4.699 -7.054 -7.795) 11.515 17.908 ( -8.085 -3.364 11.076) 14.119 18.042 ( 4.570 -5.027 -1.955) 7.070 18.289 ( 3.034 -0.451 1.627) 3.472 18.375 ( -1.829 1.033 -7.408) 7.700 19.296 ( -1.112 -1.467 11.383) 11.531 19.518 ( -2.781 -0.900 -11.713) 12.072 19.988 ( -0.350 -4.341 24.949) 25.326 20.500 ( 5.908 -7.236 -28.318) 29.819 23.929 ( -5.851 -5.360 24.849) 26.085 24.234 ( -0.511 -4.353 13.574) 14.264 24.398 ( 6.950 -0.023 -15.745) 17.211 24.696 ( 1.007 -3.603 -23.690) 23.984 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.843 8.347 -4.454) 9.639 1.696 ( 19.513 0.001 10.082) 21.964 2.022 ( 2.801 4.651 16.501) 17.371 2.220 ( -7.364 4.566 -2.887) 9.133 2.313 ( 3.726 1.964 -10.912) 11.696 2.481 ( 1.681 -1.537 0.472) 2.327 2.796 ( -5.883 3.612 2.495) 7.340 2.958 ( -0.086 2.834 5.409) 6.107 3.305 ( 2.155 2.338 -3.153) 4.478 3.369 ( 4.827 3.292 -5.153) 7.791 3.733 ( 4.949 4.975 25.697) 26.638 3.833 ( -1.393 -1.264 -4.524) 4.899 3.919 ( -1.868 -8.774 3.003) 9.459 4.093 ( -2.501 -16.173 1.165) 16.407 4.298 ( -6.402 -5.629 3.490) 9.211 4.404 ( -4.044 -4.551 2.841) 6.718 4.537 ( 2.284 -2.946 -2.524) 4.502 4.614 ( -1.722 -3.503 13.057) 13.628 4.890 ( 6.083 7.302 1.776) 9.668 5.002 ( 4.042 7.958 -8.456) 12.296 5.124 ( 3.453 7.368 -4.244) 9.177 5.190 ( 5.634 2.942 -10.661) 12.412 5.530 ( -5.676 4.424 -3.021) 7.805 5.725 ( 2.549 0.054 -0.525) 2.603 6.574 ( 7.612 0.953 2.639) 8.113 6.598 ( 7.567 -0.075 -4.013) 8.566 7.446 ( 4.390 -1.013 7.359) 8.628 7.502 ( 3.106 0.488 -7.479) 8.113 7.778 ( -11.149 4.453 -0.253) 12.008 7.916 ( -3.637 -1.613 -0.970) 4.095 8.117 ( -6.649 8.152 1.042) 10.571 8.296 ( 2.011 14.403 -1.221) 14.594 8.388 ( -2.207 2.707 -2.205) 4.130 8.488 ( 1.332 1.599 -0.442) 2.128 9.342 ( -1.037 -0.276 3.650) 3.804 9.487 ( -8.901 -4.201 -0.227) 9.845 9.508 ( 3.253 4.834 -3.200) 6.647 9.696 ( 1.021 -0.086 3.838) 3.972 9.944 ( -4.357 -6.871 12.553) 14.959 10.199 ( -7.287 -0.848 -8.403) 11.155 10.389 ( -2.009 4.071 -4.346) 6.284 10.443 ( 2.421 4.775 -8.323) 9.897 11.110 ( -16.016 0.345 -3.271) 16.350 11.274 ( -7.770 7.955 10.394) 15.221 11.764 ( 6.016 -0.947 6.686) 9.044 11.828 ( 5.290 1.040 3.859) 6.630 11.974 ( -2.222 6.428 1.494) 6.963 12.324 ( 8.498 -4.091 -0.972) 9.482 12.713 ( -4.721 -5.319 -1.458) 7.260 13.102 ( -9.671 -2.253 1.196) 10.002 13.225 ( 23.941 -11.140 7.039) 27.328 13.410 ( 8.515 -1.685 0.990) 8.736 13.954 ( -8.145 15.982 0.906) 17.960 14.233 ( 6.951 17.413 2.566) 18.924 15.242 ( 0.362 -0.527 -4.314) 4.361 15.486 ( 12.921 0.342 -5.272) 13.959 15.826 ( -12.203 -8.261 -1.893) 14.858 16.234 ( 3.847 1.488 -0.548) 4.162 16.463 ( -8.020 -11.339 7.364) 15.720 16.819 ( -0.700 0.738 -7.563) 7.631 17.800 ( -7.060 -0.209 12.670) 14.506 18.109 ( 1.244 -3.781 3.553) 5.335 18.257 ( 4.927 -4.321 -8.332) 10.601 18.534 ( 9.707 0.187 -0.380) 9.717 19.202 ( -11.112 -1.847 11.149) 15.849 19.337 ( -11.648 -0.993 -5.282) 12.829 20.101 ( 3.707 -5.946 21.495) 22.608 20.578 ( 10.509 -4.119 -32.638) 34.535 23.810 ( -12.582 -2.788 24.413) 27.606 24.274 ( -0.246 -5.994 7.331) 9.473 24.429 ( 0.508 -0.415 -11.892) 11.910 24.667 ( 4.076 -2.362 -23.246) 23.719 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.686 12.471 1.211) 13.760 2.000 ( -3.435 7.974 3.885) 9.512 2.105 ( 13.849 -0.817 3.146) 14.226 2.199 ( 6.606 3.437 5.064) 9.005 2.372 ( 5.621 2.378 -7.761) 9.874 2.517 ( 1.434 -3.834 4.419) 6.024 2.709 ( -3.153 0.014 -2.410) 3.969 2.895 ( -9.187 -3.298 5.192) 11.056 3.276 ( -3.331 3.205 -5.077) 6.866 3.374 ( -3.066 -2.718 -2.986) 5.070 3.848 ( 5.408 -4.335 -3.722) 7.868 3.902 ( 4.913 5.644 17.171) 18.731 3.966 ( 2.039 -2.463 6.136) 6.919 4.076 ( 0.165 -5.809 8.791) 10.538 4.224 ( -1.690 -3.854 -0.282) 4.217 4.386 ( 0.529 -1.003 13.074) 13.123 4.537 ( 0.338 -4.879 -10.767) 11.826 4.600 ( -3.826 1.645 16.307) 16.830 4.989 ( 3.217 6.407 -1.197) 7.268 5.089 ( 7.151 4.867 -8.349) 12.022 5.167 ( 4.089 4.013 -1.079) 5.829 5.279 ( 4.380 4.899 -8.287) 10.576 5.425 ( -3.991 4.595 -6.154) 8.655 5.703 ( -4.038 -0.513 -3.367) 5.282 6.750 ( 10.223 -0.417 0.331) 10.237 6.784 ( 11.079 0.375 -0.601) 11.101 7.456 ( -10.034 1.958 6.326) 12.022 7.536 ( 1.571 2.497 -10.522) 10.928 7.634 ( 0.746 5.426 4.432) 7.046 7.803 ( -6.903 -3.686 0.438) 7.838 8.008 ( -4.530 3.988 1.178) 6.150 8.246 ( -4.123 11.801 -6.346) 14.019 8.398 ( 1.033 4.790 3.189) 5.847 8.500 ( 1.133 2.430 -3.330) 4.275 9.316 ( -2.163 1.923 2.004) 3.521 9.342 ( -4.597 -2.677 -2.651) 5.943 9.559 ( -0.007 6.154 7.724) 9.875 9.694 ( -0.215 2.899 -1.438) 3.243 9.909 ( -5.564 -7.577 -0.395) 9.409 10.016 ( -6.244 -0.031 6.240) 8.828 10.184 ( -11.613 1.932 -14.804) 18.915 10.452 ( -2.870 13.047 -6.353) 14.792 10.977 ( 4.185 -5.486 -1.560) 7.074 11.341 ( 6.870 4.461 20.066) 21.673 11.643 ( -10.326 -1.221 0.824) 10.431 11.959 ( -0.608 2.631 -2.902) 3.964 12.030 ( 6.822 1.930 10.162) 12.391 12.452 ( 4.243 -0.335 -3.245) 5.352 12.657 ( -1.339 -8.067 -1.326) 8.284 12.926 ( -7.849 -4.588 1.118) 9.160 13.542 ( 9.872 0.082 0.139) 9.873 13.759 ( 18.654 -3.541 9.686) 21.315 13.841 ( -0.481 2.196 3.341) 4.027 14.362 ( 5.395 9.854 1.798) 11.377 15.255 ( 0.764 1.055 -2.852) 3.135 15.457 ( -10.247 -6.151 -10.830) 16.128 15.859 ( 10.347 -3.991 -2.804) 11.439 16.083 ( -7.714 -2.805 3.336) 8.860 16.491 ( -0.139 -2.927 -0.177) 2.936 16.725 ( -4.256 4.856 -5.103) 8.230 17.746 ( -1.927 0.210 16.795) 16.907 18.191 ( 6.720 -1.578 5.154) 8.615 18.368 ( 7.162 -5.786 -9.182) 13.003 18.651 ( 1.858 -1.795 0.470) 2.626 18.989 ( -13.673 -1.850 9.380) 16.684 19.112 ( -9.220 -1.267 -3.643) 9.994 20.211 ( 0.537 -5.459 20.847) 21.556 20.667 ( 8.882 -3.230 -33.227) 34.545 23.647 ( -11.944 -0.832 27.437) 29.935 24.233 ( -2.169 -4.041 -17.129) 17.732 24.400 ( -1.772 -1.369 7.088) 7.433 24.700 ( 5.740 -1.691 -21.847) 22.651 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.655 13.343 8.559) 16.830 1.855 ( -8.626 9.414 -3.948) 13.365 2.360 ( 8.536 0.249 7.759) 11.538 2.398 ( 11.776 3.689 -2.106) 12.519 2.472 ( 5.433 -1.408 0.532) 5.638 2.542 ( -1.274 -3.100 4.082) 5.282 2.615 ( -10.351 -4.756 2.669) 11.700 2.737 ( -0.814 -1.993 -10.014) 10.242 3.200 ( -2.375 1.285 -1.539) 3.108 3.251 ( -7.738 -1.398 -0.886) 7.913 3.883 ( -6.959 6.963 14.611) 17.618 3.986 ( 0.611 -1.106 10.119) 10.197 4.064 ( 3.605 -6.013 6.099) 9.293 4.137 ( 5.719 2.872 4.794) 7.997 4.214 ( 0.954 -8.654 -0.596) 8.726 4.475 ( 2.040 -2.410 7.412) 8.057 4.525 ( 2.396 -4.653 -5.809) 7.819 4.597 ( 0.665 5.756 7.836) 9.745 5.008 ( -0.478 9.062 -1.228) 9.157 5.175 ( 2.623 0.656 1.870) 3.287 5.261 ( 3.769 8.716 -8.577) 12.796 5.313 ( 1.410 6.834 -9.721) 11.966 5.356 ( 2.133 -0.426 -2.306) 3.170 5.567 ( -8.113 -0.961 -6.491) 10.435 6.923 ( 3.783 -0.028 5.385) 6.581 6.963 ( 8.410 -0.314 -4.365) 9.480 7.239 ( -10.838 6.274 12.342) 17.582 7.487 ( -4.121 3.343 -11.210) 12.403 7.660 ( -0.505 -0.583 7.918) 7.956 7.768 ( 3.114 0.126 -1.157) 3.325 7.958 ( -0.712 2.095 0.259) 2.228 8.147 ( -3.496 10.788 -8.342) 14.078 8.415 ( -0.582 3.984 5.014) 6.430 8.518 ( 2.076 3.128 -6.242) 7.284 9.277 ( -2.413 0.558 2.322) 3.394 9.311 ( 1.393 3.340 -1.985) 4.127 9.555 ( -2.632 6.394 9.977) 12.139 9.701 ( 2.064 4.576 -6.749) 8.411 9.743 ( -7.212 -3.618 -0.020) 8.069 9.938 ( -5.885 0.278 -10.305) 11.870 10.046 ( 0.564 2.585 10.524) 10.851 10.356 ( -3.402 8.625 -10.116) 13.722 11.147 ( 11.102 -6.726 2.449) 13.210 11.424 ( -11.136 -1.123 -0.520) 11.205 11.568 ( 8.050 3.595 17.245) 19.368 11.933 ( -0.184 -0.216 -7.468) 7.474 12.155 ( 4.097 2.059 9.344) 10.408 12.406 ( -5.810 2.283 -6.241) 8.827 12.679 ( 1.966 -11.751 5.109) 12.964 12.837 ( -1.323 -6.053 -4.770) 7.819 13.677 ( 0.507 2.595 7.488) 7.941 13.789 ( 3.447 4.627 -4.144) 7.104 14.177 ( 14.683 -7.360 8.212) 18.363 14.426 ( 0.871 3.023 -2.117) 3.792 15.179 ( -11.113 -6.627 5.895) 14.219 15.263 ( -2.373 -10.078 -10.414) 14.685 15.927 ( 6.258 1.582 -3.501) 7.344 16.120 ( -4.456 4.295 -0.903) 6.254 16.434 ( 4.040 1.229 -0.312) 4.234 16.655 ( -4.617 3.248 -4.791) 7.404 17.855 ( 6.853 -1.011 21.454) 22.545 18.332 ( 1.970 -0.816 -2.548) 3.323 18.429 ( 3.324 -5.746 -2.622) 7.137 18.616 ( -4.050 -3.355 -0.975) 5.348 18.815 ( -4.722 -1.756 8.482) 9.866 18.976 ( -4.074 -0.673 -5.320) 6.735 20.236 ( -4.624 -4.108 22.031) 22.883 20.713 ( 6.082 -3.773 -31.165) 31.976 23.543 ( -7.738 0.312 30.613) 31.578 24.140 ( 0.331 -1.751 -26.526) 26.586 24.393 ( -2.649 -2.126 13.940) 14.348 24.739 ( 5.077 -1.780 -21.624) 22.284 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -7.783 9.118 6.075) 13.440 1.702 ( -1.286 12.019 5.572) 13.310 2.388 ( -9.830 4.127 1.944) 10.837 2.416 ( -9.313 -3.910 2.641) 10.440 2.513 ( 1.424 2.610 -5.472) 6.227 2.557 ( 5.084 -0.153 3.652) 6.262 2.573 ( 3.293 -4.706 -0.809) 5.800 2.813 ( 11.115 -2.186 -10.689) 15.575 3.127 ( -3.175 1.491 4.595) 5.781 3.234 ( 4.483 -2.922 1.718) 5.620 3.686 ( -17.429 10.350 24.777) 32.012 3.983 ( -3.722 1.418 8.745) 9.610 4.158 ( -2.394 -8.897 0.622) 9.235 4.199 ( 7.245 -1.207 1.257) 7.452 4.251 ( -0.316 -8.119 2.981) 8.655 4.493 ( 2.299 -9.463 -6.947) 11.962 4.566 ( -0.590 0.552 4.582) 4.652 4.661 ( 3.919 7.276 -2.630) 8.672 4.975 ( -3.605 9.629 4.904) 11.391 5.172 ( -2.987 2.831 1.418) 4.353 5.223 ( -1.509 6.672 -12.616) 14.351 5.319 ( 0.993 3.748 -3.024) 4.917 5.392 ( -4.942 0.167 -10.324) 11.447 5.503 ( 8.722 2.084 1.816) 9.150 6.842 ( -10.369 1.796 7.078) 12.682 7.020 ( -4.413 -1.421 -3.616) 5.880 7.206 ( -0.068 5.493 17.178) 18.035 7.432 ( 4.447 3.679 -6.435) 8.644 7.681 ( -0.211 -2.901 3.839) 4.817 7.823 ( 3.462 2.320 -6.095) 7.384 8.000 ( 4.213 4.844 4.328) 7.742 8.087 ( 0.519 8.835 -9.175) 12.748 8.415 ( -0.126 2.610 3.899) 4.694 8.522 ( -0.322 4.252 -5.451) 6.921 9.235 ( -0.977 -3.674 3.608) 5.241 9.346 ( -0.681 8.242 -3.958) 9.168 9.538 ( 0.776 3.790 8.681) 9.504 9.683 ( 0.155 -3.166 2.456) 4.010 9.768 ( 6.213 5.064 -0.029) 8.015 9.871 ( 1.975 4.448 -11.015) 12.043 10.108 ( 1.771 5.995 13.443) 14.826 10.284 ( -0.657 3.090 -10.773) 11.227 11.192 ( -12.004 -2.434 -1.963) 12.405 11.375 ( 11.255 -7.222 4.247) 14.031 11.736 ( 4.270 3.907 10.021) 11.573 11.902 ( -0.079 -0.331 -13.957) 13.961 12.224 ( -1.614 -0.268 5.973) 6.193 12.330 ( 2.045 4.471 -1.545) 5.153 12.665 ( -5.040 -9.550 5.149) 11.963 12.865 ( 5.750 -8.201 -6.604) 11.997 13.631 ( -6.242 1.928 8.128) 10.428 13.860 ( 3.700 4.044 -7.182) 9.035 14.296 ( -7.796 -3.329 -1.343) 8.583 14.414 ( 2.298 -1.589 -3.274) 4.304 15.029 ( -3.501 -7.863 13.003) 15.594 15.301 ( 6.057 -6.699 -5.983) 10.833 15.876 ( -11.735 -0.050 0.923) 11.772 16.136 ( 11.527 6.732 -2.020) 13.501 16.468 ( -9.696 3.122 -3.729) 10.847 16.618 ( 7.631 0.654 -1.266) 7.763 18.049 ( 3.383 -2.791 18.947) 19.448 18.189 ( -7.630 -0.405 -9.924) 12.524 18.476 ( -6.649 -4.591 -0.376) 8.089 18.576 ( 4.279 -3.644 1.503) 5.818 18.858 ( 5.186 -2.430 5.563) 7.984 18.961 ( 5.769 0.351 -5.256) 7.812 20.178 ( -8.363 -3.140 24.250) 25.843 20.711 ( 2.883 -5.047 -27.533) 28.140 23.545 ( -2.077 0.462 33.421) 33.488 24.106 ( 4.721 -0.825 -27.196) 27.615 24.376 ( -3.786 -2.214 14.874) 15.507 24.761 ( 4.054 -2.241 -21.859) 22.345 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -14.042 8.332 3.809) 16.766 1.762 ( 0.250 10.229 20.633) 23.031 2.161 ( -16.083 -0.643 -1.916) 16.210 2.260 ( -3.783 5.935 -0.115) 7.039 2.476 ( -0.837 1.773 -13.385) 13.528 2.577 ( -1.210 -7.633 -1.406) 7.856 2.687 ( 7.234 4.290 0.279) 8.415 3.013 ( 8.122 -0.443 -0.169) 8.135 3.157 ( 4.303 1.643 1.697) 4.909 3.323 ( 1.488 -5.051 4.648) 7.024 3.451 ( -13.381 11.646 28.688) 33.729 3.902 ( -4.645 2.443 2.793) 5.945 4.100 ( -3.402 -13.349 0.803) 13.799 4.218 ( -2.195 -11.715 0.557) 11.932 4.319 ( 2.338 -5.151 9.847) 11.356 4.507 ( 0.701 -5.478 -14.859) 15.852 4.540 ( 0.450 0.802 -2.693) 2.845 4.690 ( -0.853 4.895 1.349) 5.149 4.884 ( -7.669 6.988 7.117) 12.582 5.111 ( -2.059 8.425 -6.799) 11.020 5.197 ( -6.276 -5.242 0.809) 8.217 5.206 ( 0.495 10.160 -8.367) 13.171 5.412 ( 4.359 4.955 -6.282) 9.111 5.654 ( 5.749 2.203 2.937) 6.821 6.665 ( -9.775 1.792 5.626) 11.420 6.833 ( -11.578 -1.451 -2.530) 11.940 7.245 ( -1.297 4.179 17.178) 17.727 7.583 ( 9.180 1.973 -5.501) 10.883 7.648 ( -2.593 1.208 3.411) 4.452 7.881 ( 5.211 2.035 -6.990) 8.954 8.096 ( 3.669 2.477 -1.617) 4.712 8.134 ( 6.259 10.190 0.359) 11.964 8.438 ( 0.487 1.715 0.453) 1.840 8.486 ( -0.793 5.489 -3.151) 6.379 9.246 ( -2.338 -0.404 6.740) 7.145 9.333 ( 4.910 1.646 -0.512) 5.204 9.571 ( -0.598 -1.369 0.124) 1.499 9.776 ( 6.596 -3.971 8.961) 11.814 9.855 ( 2.608 2.945 -7.275) 8.270 9.971 ( 8.893 11.995 3.500) 15.337 10.213 ( 7.137 6.451 1.518) 9.739 10.279 ( 3.490 1.501 -1.165) 3.973 10.974 ( -9.280 -1.565 -1.830) 9.587 11.588 ( 8.661 -7.710 6.273) 13.184 11.733 ( -3.802 -0.090 -15.950) 16.397 11.895 ( 3.025 4.184 -0.518) 5.189 12.168 ( -4.752 -0.699 -1.862) 5.151 12.367 ( -1.930 4.940 5.266) 7.474 12.602 ( -1.213 -6.958 3.901) 8.069 12.984 ( 8.278 -6.994 -4.662) 11.797 13.504 ( -8.829 0.145 3.773) 9.603 13.896 ( 1.552 6.560 -4.830) 8.293 13.988 ( -18.913 -11.075 -10.380) 24.251 14.420 ( -1.351 8.593 -4.445) 9.769 15.106 ( 4.042 -2.461 13.285) 14.103 15.303 ( -5.488 6.456 3.426) 9.140 15.812 ( 2.613 -13.318 1.845) 13.697 16.185 ( -2.385 2.121 -7.143) 7.824 16.433 ( 6.503 5.208 4.491) 9.465 16.706 ( 2.321 -2.390 -2.206) 3.995 18.004 ( -2.776 -1.078 -7.623) 8.184 18.128 ( -4.771 -2.178 13.446) 14.433 18.295 ( -8.937 -2.978 -4.485) 10.434 18.642 ( -0.138 -2.922 1.172) 3.151 19.009 ( 8.279 -2.363 4.858) 9.885 19.168 ( 16.669 -0.528 -6.445) 17.880 20.078 ( -9.768 -2.777 26.540) 28.416 20.654 ( -0.796 -7.073 -24.219) 25.243 23.661 ( 3.328 -1.121 34.542) 34.720 24.155 ( 8.342 -0.686 -24.722) 26.101 24.337 ( -4.880 -2.041 14.577) 15.507 24.762 ( 3.036 -2.946 -22.210) 22.609 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -3.771 6.762 11.658) 13.994 1.819 ( -11.079 0.014 12.182) 16.466 1.839 ( -5.985 9.387 8.039) 13.732 2.239 ( 1.668 4.365 -3.081) 5.598 2.432 ( 0.312 1.936 -13.379) 13.522 2.531 ( -2.842 -4.953 -4.118) 7.040 2.825 ( 6.868 4.476 -0.237) 8.201 3.020 ( -7.010 5.799 6.628) 11.256 3.209 ( -0.001 2.462 -0.901) 2.621 3.345 ( 0.112 1.158 7.610) 7.698 3.387 ( -1.938 8.820 21.093) 22.945 3.917 ( 5.097 -7.299 3.832) 9.692 4.055 ( -1.988 -17.934 4.199) 18.526 4.154 ( -4.521 -7.217 -4.786) 9.768 4.357 ( -0.298 -10.727 9.540) 14.359 4.459 ( -0.482 -4.076 -13.519) 14.128 4.558 ( 1.019 -0.113 -3.564) 3.709 4.666 ( -2.375 -2.933 4.781) 6.091 4.777 ( -4.153 9.961 7.902) 13.376 5.029 ( -6.012 3.787 -1.426) 7.247 5.076 ( -1.759 7.299 -10.691) 13.064 5.225 ( 1.066 8.529 -6.728) 10.915 5.488 ( 5.474 2.966 -1.212) 6.342 5.718 ( -0.161 2.446 1.495) 2.871 6.519 ( -6.287 1.658 3.432) 7.352 6.630 ( -7.825 -1.009 -2.949) 8.423 7.277 ( 0.129 1.984 14.297) 14.435 7.537 ( -4.102 -0.255 -1.072) 4.248 7.800 ( 9.704 4.044 -1.947) 10.692 7.958 ( 3.550 -0.228 -4.846) 6.012 8.152 ( 3.087 5.679 -1.196) 6.573 8.251 ( 3.900 10.693 1.958) 11.549 8.403 ( -1.355 3.662 -2.879) 4.851 8.493 ( 0.188 3.564 -1.255) 3.783 9.241 ( 0.039 3.380 10.394) 10.930 9.469 ( 7.339 -5.221 1.237) 9.092 9.540 ( -1.337 -2.092 -4.847) 5.446 9.824 ( -3.684 1.924 -7.384) 8.473 9.921 ( 4.502 -4.020 12.392) 13.783 10.132 ( 5.566 7.887 11.136) 14.738 10.309 ( 5.807 -3.683 -16.147) 17.550 10.441 ( 5.942 8.700 3.150) 10.996 10.947 ( 10.589 1.392 6.269) 12.385 11.580 ( -2.462 0.319 -13.862) 14.082 11.733 ( 1.005 -1.865 2.616) 3.366 11.928 ( -6.568 2.839 -1.846) 7.390 12.044 ( -0.264 -0.670 -4.392) 4.451 12.275 ( -8.575 2.875 4.161) 9.956 12.649 ( 4.592 -6.023 4.529) 8.825 13.131 ( 7.224 -4.719 -1.709) 8.796 13.301 ( -15.651 -4.084 -0.987) 16.205 13.507 ( -19.661 -8.312 -9.031) 23.177 13.993 ( 5.946 16.317 -3.094) 17.640 14.321 ( -7.204 17.321 -7.008) 20.026 15.140 ( -0.314 -1.092 6.146) 6.250 15.289 ( -0.626 1.839 13.381) 13.522 15.834 ( 3.643 -4.942 -1.643) 6.356 16.260 ( 3.438 -3.506 -1.663) 5.185 16.511 ( 3.551 -4.035 2.398) 5.886 16.747 ( 2.512 -2.870 -1.348) 4.045 17.986 ( 1.832 -1.201 -5.355) 5.786 18.040 ( -7.998 -4.779 12.241) 15.383 18.189 ( 1.045 -0.577 -3.314) 3.522 18.552 ( -8.494 -1.146 -2.600) 8.956 19.187 ( 7.917 -2.158 7.286) 10.973 19.453 ( 13.254 -0.259 -11.808) 17.753 19.987 ( -7.538 -3.202 27.206) 28.412 20.548 ( -1.841 -8.727 -23.483) 25.120 23.846 ( 4.229 -4.570 31.241) 31.856 24.238 ( 1.868 -2.558 -4.690) 5.659 24.306 ( 2.543 -0.105 -1.828) 3.134 24.741 ( 1.816 -3.618 -22.735) 23.093 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 6.186 5.383 12.015) 14.546 1.602 ( -5.788 4.798 -7.250) 10.444 2.092 ( 1.021 8.640 13.801) 16.315 2.326 ( 0.153 4.110 -5.502) 6.870 2.386 ( -1.614 -0.079 1.715) 2.356 2.447 ( -0.218 -1.186 -7.940) 8.031 2.972 ( -0.475 -1.333 6.181) 6.341 3.057 ( -4.233 4.915 -0.092) 6.487 3.297 ( 1.773 0.973 5.090) 5.477 3.440 ( 1.056 3.106 -7.199) 7.912 3.607 ( 3.615 -16.843 2.297) 17.379 3.633 ( -0.786 -13.912 -0.374) 13.939 3.772 ( 1.234 9.093 21.058) 22.970 3.989 ( -6.471 -0.850 -1.962) 6.815 4.252 ( 4.560 -0.329 7.667) 8.926 4.384 ( -4.599 -4.304 2.580) 6.807 4.439 ( -3.241 -4.746 1.961) 6.072 4.555 ( 1.240 6.265 -6.981) 9.462 4.981 ( 1.832 5.873 5.604) 8.321 5.053 ( 1.462 2.635 3.310) 4.477 5.238 ( 2.014 7.935 -10.556) 13.359 5.304 ( -3.038 4.274 -10.338) 11.591 5.650 ( 4.227 2.069 3.797) 6.047 5.732 ( -3.458 2.929 -3.925) 5.995 6.545 ( 1.231 4.517 1.141) 4.819 6.562 ( 0.025 2.484 -1.075) 2.707 7.325 ( 0.153 -1.411 10.552) 10.647 7.463 ( 0.922 -2.786 -3.346) 4.451 7.927 ( -1.414 1.353 1.898) 2.726 8.009 ( 0.196 3.433 -6.619) 7.459 8.411 ( 4.719 4.026 4.279) 7.536 8.466 ( 1.226 4.174 3.563) 5.623 8.494 ( -6.499 9.621 -4.161) 12.333 8.562 ( 1.904 7.996 -5.812) 10.067 9.276 ( 1.287 -3.102 15.828) 16.181 9.499 ( -1.213 -1.838 -5.866) 6.266 9.590 ( 5.319 3.850 2.247) 6.940 9.678 ( -7.571 0.559 -4.429) 8.790 9.911 ( -1.380 -2.348 10.023) 10.387 10.155 ( 0.549 -9.735 -14.530) 17.499 10.420 ( 5.508 6.260 9.616) 12.728 10.553 ( -4.640 5.070 -4.486) 8.207 11.407 ( 15.495 6.224 9.878) 19.401 11.589 ( -13.423 4.989 -7.800) 16.307 11.711 ( 0.474 5.869 9.826) 11.456 11.908 ( -2.398 10.084 -9.743) 14.225 12.065 ( 5.296 -2.851 3.322) 6.871 12.134 ( -7.544 0.943 -3.281) 8.280 12.705 ( 7.697 -1.593 7.537) 10.889 12.829 ( -10.522 -1.738 -5.264) 11.893 13.191 ( 0.061 -3.734 1.871) 4.177 13.238 ( -0.063 -3.202 -2.645) 4.153 14.505 ( 0.134 18.584 2.961) 18.819 14.593 ( -4.586 21.084 -6.474) 22.528 15.174 ( 7.307 -3.983 6.776) 10.732 15.251 ( 0.570 -1.547 -1.591) 2.291 15.879 ( 1.190 -7.358 6.971) 10.205 16.027 ( -3.580 -6.638 -7.917) 10.934 16.489 ( -8.322 -8.331 4.400) 12.570 16.579 ( 10.054 -11.521 -4.533) 15.949 17.838 ( -4.385 -2.566 11.644) 12.705 17.960 ( 1.248 -2.290 -0.404) 2.639 18.283 ( -0.665 -0.123 2.027) 2.137 18.381 ( 0.841 -0.412 -7.794) 7.850 19.269 ( -0.575 -0.736 11.612) 11.649 19.504 ( -3.554 -0.196 -12.550) 13.045 19.864 ( -1.641 -7.205 21.633) 22.861 20.309 ( 8.550 -10.578 -24.221) 27.779 23.822 ( -4.918 -4.139 27.698) 28.434 24.143 ( -2.524 -4.644 13.827) 14.803 24.365 ( 6.647 -2.714 -20.463) 21.686 24.601 ( 2.119 -5.333 -24.218) 24.888 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.422 10.573 -7.230) 13.551 1.658 ( 14.227 -2.798 9.903) 17.559 2.166 ( 3.422 8.078 11.792) 14.697 2.290 ( -2.366 4.408 -5.076) 7.127 2.400 ( 3.110 4.160 -2.907) 5.952 2.421 ( -0.678 -3.485 -1.573) 3.883 2.925 ( -7.614 5.224 2.726) 9.628 2.937 ( -7.127 -3.843 6.502) 10.384 3.291 ( -3.178 -2.988 0.411) 4.381 3.455 ( 3.297 1.136 -3.978) 5.290 3.652 ( 4.008 -10.614 -1.052) 11.394 3.676 ( 0.758 -13.250 -1.880) 13.404 3.870 ( -0.643 -0.819 18.609) 18.638 3.940 ( 4.572 6.393 2.938) 8.391 4.312 ( 1.203 6.520 11.157) 12.978 4.361 ( 0.554 -1.596 -7.559) 7.745 4.412 ( -1.897 -5.484 9.998) 11.560 4.608 ( 5.683 5.198 -4.274) 8.808 5.034 ( 3.161 3.115 2.050) 4.888 5.126 ( 4.636 3.897 -1.096) 6.155 5.214 ( -2.403 5.399 -6.914) 9.095 5.304 ( 6.296 6.157 -5.860) 10.578 5.639 ( -4.131 4.833 -6.312) 8.959 5.716 ( 0.807 -0.807 3.268) 3.462 6.622 ( 6.737 2.564 -2.236) 7.548 6.630 ( 6.928 4.009 0.634) 8.029 7.394 ( 3.897 -3.671 8.069) 9.683 7.498 ( 3.688 -1.161 -4.545) 5.967 7.849 ( -6.732 2.903 2.957) 7.905 7.953 ( -5.155 3.536 -3.815) 7.323 8.281 ( -10.768 6.837 -1.539) 12.848 8.463 ( -1.985 4.271 -1.032) 4.822 8.495 ( 1.209 -1.038 1.342) 2.084 8.625 ( 4.667 15.943 -3.077) 16.895 9.336 ( -1.158 -2.102 13.756) 13.964 9.381 ( -5.910 -3.112 -6.941) 9.633 9.622 ( 2.949 0.752 -6.649) 7.312 9.698 ( 2.792 4.197 8.923) 10.249 9.855 ( -5.143 -1.262 7.532) 9.207 10.108 ( -3.333 -7.847 -8.501) 12.039 10.446 ( -5.447 5.195 -6.770) 10.123 10.569 ( 7.324 3.413 7.955) 11.339 11.206 ( -17.882 8.896 -10.024) 22.347 11.498 ( -10.365 13.333 8.903) 19.091 11.752 ( 0.487 -0.122 -1.329) 1.421 11.862 ( 5.521 1.974 7.533) 9.546 12.088 ( 0.320 2.029 -6.426) 6.746 12.240 ( 7.884 -0.444 7.743) 11.059 12.681 ( -3.550 0.395 -2.648) 4.446 12.967 ( -1.363 -5.862 3.886) 7.164 13.095 ( 12.042 -4.675 3.566) 13.400 13.381 ( 9.451 -1.328 0.157) 9.545 14.301 ( -15.225 15.912 0.716) 22.034 14.553 ( -2.277 12.573 2.507) 13.021 15.238 ( 4.125 0.394 -5.254) 6.692 15.509 ( 16.730 1.492 -4.473) 17.382 15.624 ( -15.650 -10.693 2.618) 19.134 16.173 ( -17.186 -12.552 3.891) 21.634 16.238 ( 13.238 -3.663 0.281) 13.738 16.789 ( 6.895 -4.051 -5.212) 9.545 17.792 ( -4.863 -0.459 13.409) 14.271 18.019 ( 4.680 -3.628 1.714) 6.164 18.202 ( -1.054 -0.798 -2.994) 3.273 18.508 ( 7.643 -2.711 -2.014) 8.356 19.167 ( -11.481 -1.112 9.119) 14.704 19.319 ( -12.044 -0.492 -3.958) 12.687 19.952 ( 4.281 -7.683 15.936) 18.202 20.446 ( 11.930 -8.669 -28.816) 32.371 23.750 ( -10.050 -2.332 26.296) 28.248 24.154 ( -0.996 -5.572 10.345) 11.793 24.383 ( 1.493 -3.348 -18.160) 18.526 24.599 ( 5.332 -4.134 -23.223) 24.183 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 8.626 13.260 -3.356) 16.171 1.927 ( 10.476 -10.883 6.005) 16.256 2.218 ( -3.388 7.189 -5.890) 9.892 2.318 ( 8.644 8.715 9.796) 15.705 2.412 ( 0.069 -4.008 -0.222) 4.015 2.470 ( 4.658 3.746 -2.799) 6.601 2.768 ( -8.622 3.011 3.937) 9.945 2.802 ( -8.392 -2.474 4.288) 9.744 3.224 ( -3.148 -4.329 -0.634) 5.390 3.481 ( -1.357 8.699 -6.418) 10.895 3.664 ( 2.017 -15.896 1.986) 16.146 3.776 ( 7.564 -10.586 1.873) 13.145 3.899 ( -1.127 -2.438 18.274) 18.470 4.096 ( 8.021 7.647 4.094) 11.814 4.335 ( -2.575 3.578 1.007) 4.521 4.373 ( -2.271 -7.899 3.096) 8.783 4.427 ( 5.499 9.294 8.885) 13.984 4.701 ( 4.420 6.735 -2.739) 8.508 5.111 ( 3.646 -0.118 -0.887) 3.754 5.163 ( 1.678 8.572 -1.526) 8.867 5.252 ( 6.236 2.291 -1.977) 6.931 5.381 ( 2.838 4.700 -5.273) 7.613 5.540 ( -3.675 5.615 -9.627) 11.735 5.696 ( -3.669 -0.288 1.047) 3.827 6.774 ( 9.267 2.630 -0.705) 9.658 6.803 ( 10.430 1.575 -0.609) 10.566 7.474 ( -0.193 -0.721 6.509) 6.552 7.567 ( 4.763 -0.491 -5.111) 7.004 7.726 ( -6.100 3.161 4.836) 8.402 7.782 ( -10.906 2.029 -3.050) 11.504 8.109 ( -6.437 5.710 2.643) 9.002 8.394 ( -4.109 4.768 -2.126) 6.643 8.530 ( 3.236 1.028 -2.821) 4.414 8.675 ( 0.894 16.972 -1.588) 17.070 9.229 ( -3.701 -3.965 -3.750) 6.594 9.404 ( 1.473 0.915 5.254) 5.533 9.670 ( 1.756 -1.223 -1.696) 2.730 9.722 ( -2.720 2.776 8.263) 9.132 9.813 ( -0.792 2.327 -1.547) 2.904 9.986 ( -6.090 -3.425 3.488) 7.809 10.298 ( -7.777 8.585 -4.215) 12.327 10.717 ( 3.633 7.967 -0.970) 8.810 10.909 ( -6.342 3.080 -7.199) 10.076 11.452 ( 2.033 6.287 12.333) 13.991 11.615 ( -9.445 -0.603 -4.291) 10.392 12.016 ( 1.382 2.356 2.688) 3.833 12.093 ( 3.955 3.436 1.757) 5.526 12.373 ( 4.229 -4.657 7.671) 9.921 12.612 ( -5.539 1.762 -2.539) 6.343 12.753 ( -10.395 -10.834 -1.841) 15.127 13.551 ( 22.290 -3.787 3.955) 22.953 13.596 ( 14.197 -1.699 4.361) 14.948 14.032 ( -11.716 9.477 0.926) 15.098 14.519 ( -2.079 5.242 0.968) 5.722 15.232 ( -5.647 -5.008 -8.185) 11.134 15.281 ( -19.319 -10.940 2.685) 22.363 15.764 ( 9.372 -3.476 -8.607) 13.191 16.071 ( 8.506 3.837 9.431) 13.267 16.449 ( 6.457 -2.359 1.525) 7.042 16.795 ( -2.673 1.755 -7.822) 8.450 17.752 ( -2.704 0.447 16.467) 16.693 18.141 ( 6.855 -4.098 4.989) 9.417 18.252 ( 5.784 -3.645 -5.034) 8.490 18.585 ( 0.226 -4.595 -1.478) 4.833 18.953 ( -13.072 -1.159 7.769) 15.250 19.086 ( -9.266 -0.841 -3.703) 10.014 20.072 ( 2.359 -7.313 16.310) 18.029 20.551 ( 8.371 -8.162 -30.449) 32.616 23.635 ( -9.759 0.144 27.177) 28.876 24.143 ( -1.117 -4.362 -4.734) 6.534 24.349 ( -0.692 -3.285 -5.357) 6.322 24.643 ( 5.950 -3.881 -22.727) 23.811 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 5.713 12.909 2.926) 14.417 2.034 ( -3.634 -0.420 -2.876) 4.653 2.185 ( 4.155 -5.072 4.199) 7.786 2.384 ( -3.467 -9.285 -1.450) 10.016 2.497 ( 6.446 5.904 6.659) 10.989 2.566 ( 6.414 4.931 -2.977) 8.621 2.621 ( -7.068 3.039 3.666) 8.522 2.707 ( -1.302 1.343 -4.215) 4.611 3.198 ( 0.610 2.008 2.552) 3.304 3.368 ( -7.289 9.123 -4.329) 12.454 3.759 ( 3.794 -17.466 9.480) 20.232 3.876 ( 0.956 -12.418 4.985) 13.415 3.979 ( 4.093 1.942 13.097) 13.859 4.209 ( -4.560 10.190 3.572) 11.721 4.236 ( -0.242 0.862 6.356) 6.419 4.368 ( 1.404 -5.070 -8.894) 10.334 4.553 ( 2.639 6.441 14.965) 16.505 4.772 ( 5.096 9.363 -7.180) 12.852 5.154 ( 0.792 0.056 2.123) 2.267 5.199 ( -0.140 6.674 3.424) 7.503 5.320 ( 1.435 -2.975 -3.756) 5.002 5.424 ( 1.383 5.962 -12.496) 13.914 5.474 ( 4.197 7.908 -5.980) 10.766 5.586 ( -7.363 2.816 -1.622) 8.049 6.933 ( 4.795 1.030 2.784) 5.640 6.971 ( 6.608 1.002 -2.594) 7.169 7.399 ( -7.040 8.555 10.331) 15.149 7.573 ( -8.968 0.578 2.189) 9.249 7.615 ( 1.506 1.092 -4.048) 4.455 7.698 ( 1.755 -6.246 -5.353) 8.411 8.072 ( 0.629 7.487 9.160) 11.847 8.315 ( -2.628 5.463 -5.220) 8.000 8.604 ( 4.124 4.976 -2.830) 7.056 8.648 ( -2.100 16.157 -2.412) 16.471 9.234 ( 4.582 -2.890 -2.847) 6.120 9.354 ( -8.598 -2.489 0.513) 8.966 9.663 ( -2.765 2.523 10.308) 10.966 9.697 ( 2.636 2.400 -1.512) 3.872 9.839 ( 2.972 6.678 -5.222) 8.983 9.915 ( -4.011 -2.326 1.869) 4.999 10.199 ( -0.855 11.682 7.815) 14.081 10.603 ( -6.978 14.540 -15.002) 22.026 11.005 ( 9.453 -6.550 6.001) 12.972 11.371 ( -11.714 -3.882 -7.147) 14.261 11.628 ( 9.002 2.839 12.770) 15.880 11.969 ( -4.007 3.115 -5.245) 7.298 12.199 ( 3.230 1.939 10.267) 10.937 12.409 ( -5.871 -7.177 2.525) 9.610 12.479 ( 0.538 -1.675 1.287) 2.180 12.660 ( -0.922 -9.324 -6.969) 11.677 13.765 ( 1.221 5.497 7.725) 9.560 13.883 ( 4.133 3.761 -3.844) 6.783 14.032 ( 17.013 -5.704 6.956) 19.245 14.448 ( -6.579 -1.636 -5.382) 8.656 14.925 ( -15.930 -14.710 7.048) 22.800 15.066 ( -4.993 -10.670 -9.929) 15.407 15.986 ( 14.787 4.476 -0.180) 15.450 16.232 ( -3.474 6.547 2.640) 7.868 16.493 ( 3.918 3.821 0.771) 5.527 16.715 ( -3.382 2.269 -7.792) 8.792 17.825 ( 4.402 -1.815 20.529) 21.074 18.275 ( 2.144 -8.851 -2.464) 9.434 18.311 ( 2.158 -1.092 0.537) 2.477 18.523 ( -3.743 -5.370 -3.510) 7.427 18.785 ( -5.166 -0.666 9.489) 10.825 18.965 ( -2.436 -0.115 -7.099) 7.506 20.120 ( -2.946 -6.661 19.130) 20.470 20.585 ( 4.834 -8.662 -29.507) 31.130 23.562 ( -6.451 1.820 28.744) 29.515 24.102 ( 0.973 -1.823 -17.889) 18.008 24.329 ( -1.893 -3.895 6.687) 7.967 24.678 ( 4.860 -4.162 -22.867) 23.745 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -10.922 10.956 1.890) 15.585 1.933 ( -0.357 7.969 6.397) 10.225 2.243 ( -5.935 -9.698 0.709) 11.392 2.329 ( 3.117 -10.440 2.438) 11.165 2.498 ( -4.416 2.582 1.684) 5.385 2.598 ( 0.289 4.463 -1.289) 4.654 2.699 ( 7.140 10.502 -3.477) 13.166 2.755 ( 9.585 -3.454 -9.404) 13.865 3.214 ( -4.277 5.149 2.045) 6.999 3.256 ( 0.365 7.090 6.408) 9.564 3.772 ( -6.787 -13.977 10.058) 18.509 3.899 ( -0.182 -13.702 1.546) 13.790 4.010 ( -4.453 7.359 13.803) 16.264 4.092 ( -6.248 3.509 7.328) 10.249 4.282 ( 0.517 2.212 2.117) 3.105 4.382 ( 3.628 -3.002 -8.455) 9.678 4.600 ( -1.814 2.776 10.561) 11.070 4.822 ( 2.000 8.383 -11.621) 14.468 5.113 ( -5.613 -4.300 5.391) 8.891 5.188 ( -1.968 8.707 6.908) 11.288 5.352 ( -2.161 4.856 -6.626) 8.495 5.385 ( 5.168 0.787 -9.936) 11.227 5.436 ( -5.106 4.425 -3.212) 7.481 5.613 ( 7.911 7.276 -3.682) 11.362 6.886 ( -8.608 2.303 4.482) 9.975 6.997 ( -5.207 -0.820 -2.281) 5.743 7.362 ( -1.896 8.984 14.609) 17.254 7.523 ( 4.352 3.728 0.295) 5.738 7.611 ( -0.901 -2.506 -0.678) 2.748 7.757 ( 7.194 -6.786 -8.363) 12.951 8.157 ( 3.960 8.478 10.923) 14.383 8.267 ( -0.331 6.906 -9.629) 11.854 8.555 ( -3.820 10.206 0.039) 10.898 8.687 ( 2.637 11.544 -4.513) 12.672 9.139 ( -8.088 -5.153 5.437) 11.024 9.408 ( 9.614 -2.738 -4.089) 10.800 9.636 ( -3.867 0.629 4.712) 6.128 9.686 ( -5.303 7.757 5.230) 10.754 9.849 ( 4.746 1.988 -3.419) 6.178 9.987 ( 9.465 4.186 -6.814) 12.391 10.289 ( 5.085 12.228 15.348) 20.272 10.430 ( -6.327 11.215 -12.939) 18.255 11.131 ( -10.642 -3.264 -6.277) 12.779 11.217 ( 10.172 -7.498 7.760) 14.830 11.803 ( 1.030 2.474 2.937) 3.976 11.897 ( 2.938 0.059 -5.412) 6.158 12.216 ( -2.843 -1.259 9.271) 9.779 12.418 ( 3.610 2.863 -2.370) 5.181 12.473 ( -0.760 -6.496 6.539) 9.249 12.667 ( 4.393 -9.328 -9.162) 13.793 13.696 ( -8.184 4.596 9.663) 13.471 13.962 ( 3.167 5.361 -5.611) 8.382 14.170 ( -17.197 -8.601 -7.825) 20.760 14.359 ( 12.322 -3.986 3.074) 13.310 14.846 ( 4.306 -9.924 12.523) 16.549 15.076 ( 9.394 -12.742 -8.104) 17.784 15.972 ( -18.693 8.130 0.248) 20.386 16.266 ( 12.292 5.884 0.597) 13.641 16.546 ( -6.768 4.012 -2.541) 8.268 16.638 ( 2.062 1.196 -2.613) 3.536 17.969 ( 1.359 -4.875 19.050) 19.711 18.144 ( -7.227 -4.849 -8.366) 12.072 18.382 ( -0.541 -3.257 3.116) 4.540 18.487 ( 1.976 -4.456 -2.855) 5.649 18.807 ( 3.995 -1.888 7.211) 8.458 18.969 ( 6.052 0.632 -7.760) 9.862 20.082 ( -7.217 -5.941 21.908) 23.818 20.559 ( 1.072 -9.500 -26.050) 27.749 23.568 ( -2.252 2.037 30.179) 30.331 24.091 ( 4.410 -0.536 -21.904) 22.350 24.308 ( -3.143 -4.152 11.005) 12.175 24.689 ( 3.531 -4.701 -23.192) 23.926 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -14.082 12.203 4.902) 19.268 1.931 ( -3.988 2.545 10.501) 11.517 2.099 ( -6.741 -1.903 -0.532) 7.025 2.391 ( 0.610 1.322 1.422) 2.035 2.438 ( -2.137 -1.677 0.172) 2.721 2.540 ( -3.335 4.596 -9.756) 11.288 2.816 ( 6.106 6.968 -2.163) 9.514 2.942 ( 11.459 -6.246 -8.089) 15.354 3.206 ( 3.270 -2.291 1.754) 4.361 3.287 ( -1.328 8.842 13.278) 16.007 3.640 ( -6.785 -7.932 6.632) 12.367 3.796 ( -9.141 -6.738 0.999) 11.400 3.969 ( -8.869 3.281 9.942) 13.722 4.029 ( 0.809 -0.397 11.748) 11.783 4.252 ( -3.779 -0.974 -0.653) 3.957 4.434 ( 2.428 -2.151 -1.526) 3.585 4.567 ( -2.557 -0.788 2.001) 3.342 4.761 ( -4.843 4.810 -10.614) 12.619 5.016 ( -5.811 0.805 4.759) 7.554 5.146 ( -4.704 4.711 4.850) 8.237 5.293 ( -0.321 8.676 -6.179) 10.657 5.367 ( -0.487 4.640 -2.653) 5.367 5.488 ( 5.416 2.153 -6.213) 8.519 5.728 ( 4.782 4.323 -1.789) 6.690 6.719 ( -9.258 3.123 3.539) 10.392 6.814 ( -11.060 -0.268 -0.955) 11.104 7.353 ( -3.834 5.812 14.492) 16.078 7.562 ( -3.118 -3.239 -1.820) 4.850 7.699 ( 10.488 3.302 2.561) 11.290 7.896 ( 8.701 -2.807 -8.722) 12.636 8.210 ( 0.149 8.864 -1.120) 8.936 8.295 ( 5.011 5.508 3.140) 8.081 8.524 ( 0.705 5.874 -2.679) 6.494 8.685 ( -1.189 13.240 -2.071) 13.454 9.103 ( 1.458 -6.815 8.003) 10.612 9.508 ( -0.386 6.359 -4.064) 7.557 9.549 ( -2.012 -2.078 4.236) 5.129 9.704 ( 3.850 -1.152 7.131) 8.185 9.918 ( 2.523 3.291 -7.138) 8.255 10.134 ( 6.084 0.269 -3.552) 7.050 10.298 ( -2.564 8.331 -6.980) 11.167 10.500 ( 11.758 15.328 13.367) 23.492 10.940 ( -6.572 -1.477 -4.947) 8.357 11.425 ( 8.301 -7.153 8.888) 14.109 11.760 ( -0.160 2.699 -11.639) 11.949 11.954 ( 1.298 1.912 2.604) 3.481 12.164 ( -5.582 0.193 0.278) 5.592 12.420 ( -1.314 0.733 4.642) 4.880 12.564 ( 3.817 2.906 2.193) 5.275 12.779 ( 11.012 -11.908 -6.364) 17.423 13.530 ( -11.409 2.198 4.005) 12.290 13.750 ( -22.873 -9.753 -8.909) 26.413 14.035 ( 7.879 5.039 0.764) 9.384 14.566 ( 9.206 5.307 -3.809) 11.288 15.046 ( 8.969 -4.539 11.335) 15.150 15.333 ( 16.759 -10.425 -2.843) 19.941 15.618 ( -17.292 2.970 5.625) 18.425 16.259 ( -8.281 4.489 -10.261) 13.929 16.497 ( -1.122 0.350 -2.093) 2.400 16.656 ( 1.095 -1.883 5.480) 5.897 17.974 ( -1.462 -2.197 2.477) 3.620 18.015 ( -6.940 -7.448 6.002) 11.818 18.285 ( -6.421 1.921 -3.903) 7.756 18.561 ( 2.289 -4.456 0.365) 5.023 18.956 ( 8.631 -2.348 4.717) 10.113 19.154 ( 15.631 -0.783 -7.125) 17.196 19.991 ( -9.206 -5.419 23.301) 25.633 20.468 ( -3.139 -10.389 -21.444) 24.034 23.650 ( 0.920 0.403 30.809) 30.826 24.136 ( 6.345 -1.137 -18.698) 19.778 24.276 ( -3.207 -3.683 9.120) 10.345 24.675 ( 2.410 -5.351 -23.570) 24.289 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -7.647 11.436 9.879) 16.937 1.794 ( -10.789 -1.599 -2.218) 11.130 2.046 ( -0.933 8.868 11.842) 14.824 2.352 ( -1.874 5.900 -3.786) 7.256 2.421 ( -1.656 -3.927 1.717) 4.595 2.471 ( -0.094 1.807 -10.435) 10.590 2.919 ( 4.416 1.325 1.508) 4.851 3.082 ( 3.547 -1.812 -5.519) 6.806 3.249 ( 0.015 -2.793 8.220) 8.681 3.355 ( 6.724 7.238 2.219) 10.125 3.594 ( -1.758 0.180 6.402) 6.641 3.655 ( -3.965 -18.078 1.341) 18.557 3.816 ( -9.257 3.698 10.283) 14.321 4.079 ( -1.439 0.454 12.330) 12.422 4.174 ( -1.098 -2.929 -2.641) 4.093 4.464 ( 0.466 -2.518 1.787) 3.123 4.500 ( -6.142 -4.116 1.839) 7.619 4.617 ( -5.001 3.579 -10.374) 12.060 4.953 ( -2.144 4.834 8.485) 9.998 5.068 ( -3.084 4.349 -0.575) 5.363 5.265 ( -0.332 8.574 -10.694) 13.711 5.364 ( -0.471 3.823 -3.905) 5.486 5.560 ( 4.168 3.667 -0.817) 5.612 5.774 ( 0.400 2.312 -1.966) 3.061 6.581 ( -5.505 3.890 2.100) 7.060 6.632 ( -7.005 1.441 -0.456) 7.166 7.322 ( -3.187 2.178 12.813) 13.382 7.490 ( -2.852 -3.994 -1.931) 5.274 7.875 ( 6.250 2.902 1.483) 7.048 7.995 ( 4.056 1.858 -8.385) 9.498 8.271 ( 6.533 5.227 1.197) 8.452 8.397 ( 4.069 4.548 4.440) 7.547 8.538 ( 1.247 6.845 -3.307) 7.704 8.631 ( -4.096 10.565 -3.300) 11.802 9.191 ( 3.184 -5.513 12.969) 14.447 9.488 ( 0.382 3.868 4.715) 6.111 9.541 ( 0.858 1.244 -7.115) 7.273 9.813 ( 1.886 -6.197 5.570) 8.543 9.867 ( -2.930 2.994 -4.556) 6.189 10.185 ( 1.555 -6.615 -11.337) 13.217 10.308 ( 3.169 8.726 7.244) 11.776 10.646 ( -2.684 7.983 0.134) 8.424 11.019 ( 17.452 6.692 6.337) 19.736 11.574 ( 6.279 -1.400 6.030) 8.818 11.756 ( 0.997 5.222 -8.326) 9.879 11.974 ( -2.578 1.274 2.660) 3.917 12.034 ( -3.646 0.142 -4.090) 5.481 12.340 ( -8.250 4.439 -1.544) 9.494 12.611 ( 1.610 0.947 3.969) 4.387 12.998 ( 10.017 -7.229 -1.732) 12.474 13.213 ( -20.886 -5.158 -6.611) 22.506 13.391 ( -10.634 -2.401 -1.170) 10.965 14.288 ( 16.258 10.857 2.263) 19.681 14.667 ( 2.615 14.854 -9.476) 17.812 15.128 ( -3.147 0.214 6.014) 6.791 15.347 ( -9.048 3.322 11.126) 14.720 15.662 ( 12.885 -10.988 -0.716) 16.949 16.205 ( 3.713 -1.646 -2.106) 4.575 16.345 ( -6.213 -10.615 -7.905) 14.621 16.683 ( -3.479 -4.104 5.714) 7.848 17.907 ( -6.645 -6.171 11.116) 14.346 17.964 ( -0.414 -1.014 -1.970) 2.254 18.212 ( 1.583 2.412 -3.066) 4.210 18.514 ( -6.311 -2.443 -3.302) 7.530 19.143 ( 8.716 -1.733 6.821) 11.202 19.444 ( 14.181 -0.778 -11.054) 17.997 19.888 ( -8.092 -5.996 23.142) 25.238 20.334 ( -3.293 -11.131 -18.758) 22.059 23.765 ( 0.851 -2.559 29.949) 30.070 24.169 ( -2.199 -4.079 6.592) 8.058 24.284 ( 6.008 -1.673 -14.489) 15.774 24.641 ( 1.622 -5.785 -24.026) 24.765 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -0.986 9.537 8.407) 12.752 1.730 ( 0.739 7.765 -8.337) 11.417 2.199 ( -0.126 -1.592 10.555) 10.675 2.329 ( 0.358 -3.855 -1.064) 4.015 2.436 ( -0.411 5.604 0.373) 5.631 2.500 ( -0.598 6.055 -6.766) 9.099 2.891 ( -0.605 -4.141 6.853) 8.030 3.032 ( 0.085 -5.581 -7.464) 9.320 3.139 ( 2.662 -13.064 5.625) 14.471 3.241 ( -2.863 -11.639 -5.031) 12.999 3.509 ( -4.702 5.310 10.084) 12.329 3.631 ( 4.464 1.001 -2.060) 5.017 3.827 ( -1.973 -1.394 8.148) 8.498 3.999 ( -1.853 0.465 -4.844) 5.207 4.211 ( -2.338 -5.126 4.867) 7.445 4.286 ( 2.630 -3.577 -1.380) 4.649 4.552 ( -2.400 15.686 18.987) 24.745 4.767 ( 1.192 9.032 -1.244) 9.195 5.043 ( 3.536 0.215 7.512) 8.306 5.132 ( -3.785 5.573 -6.643) 9.461 5.346 ( 1.894 3.265 -5.914) 7.016 5.413 ( -0.181 6.957 -10.437) 12.544 5.674 ( 1.464 -0.059 2.386) 2.800 5.770 ( -1.336 0.319 -5.918) 6.075 6.630 ( 1.082 3.653 1.263) 4.014 6.637 ( 0.562 3.918 1.060) 4.098 7.290 ( -2.568 -1.887 8.207) 8.804 7.382 ( 1.864 -4.721 -0.988) 5.171 7.971 ( -1.048 2.565 2.805) 3.943 8.057 ( 1.477 0.993 -5.748) 6.017 8.395 ( 1.551 -1.300 5.129) 5.513 8.523 ( -1.998 -0.743 -7.661) 7.952 8.666 ( -4.275 9.185 6.862) 12.236 8.795 ( 3.781 10.701 -5.774) 12.734 9.212 ( 0.699 -2.826 16.417) 16.673 9.459 ( -2.616 -2.698 -8.450) 9.248 9.585 ( -0.112 -2.363 4.057) 4.696 9.706 ( 2.857 -0.899 -7.011) 7.624 9.922 ( 0.499 1.511 3.592) 3.929 10.005 ( -3.366 -1.568 -4.760) 6.037 10.537 ( 1.791 5.295 8.774) 10.404 10.645 ( -3.529 3.428 -2.419) 5.482 11.547 ( 11.634 6.827 11.069) 17.449 11.698 ( -1.979 4.669 -2.084) 5.482 11.824 ( -0.403 4.419 6.082) 7.529 11.962 ( -1.783 -1.930 -4.156) 4.917 12.176 ( -1.569 9.680 -5.007) 11.011 12.195 ( -5.968 5.107 -4.480) 9.043 12.704 ( 7.955 0.914 6.586) 10.368 12.823 ( -9.643 0.624 -5.362) 11.051 13.094 ( 7.195 -5.536 4.072) 9.950 13.166 ( -5.968 -3.822 -3.119) 7.743 14.845 ( 3.986 13.585 4.916) 14.987 14.946 ( -7.322 11.458 -5.085) 14.518 15.098 ( 1.023 -2.670 8.281) 8.760 15.225 ( 6.916 -0.036 -5.351) 8.745 15.710 ( -5.183 -7.640 8.352) 12.449 15.881 ( 1.664 -6.935 -8.918) 11.419 16.296 ( -13.914 -9.267 2.091) 16.848 16.346 ( 14.191 -10.314 -2.929) 17.786 17.825 ( -2.858 1.282 13.712) 14.065 17.938 ( 0.243 -0.377 2.701) 2.738 18.286 ( -1.573 0.424 0.090) 1.632 18.362 ( 0.056 -1.328 -7.367) 7.486 19.276 ( -0.152 1.538 11.853) 11.953 19.506 ( -3.676 -0.449 -8.108) 8.913 19.722 ( -0.377 -5.103 12.088) 13.127 20.084 ( 8.556 -10.913 -21.420) 25.517 23.776 ( -4.666 -0.138 26.186) 26.599 24.037 ( -3.492 -5.696 17.428) 18.665 24.314 ( 5.989 -1.603 -25.406) 26.152 24.486 ( 3.311 -5.570 -24.889) 25.719 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 4.972 2.675 8.019) 9.807 1.789 ( 7.509 10.433 -7.575) 14.920 2.237 ( 1.243 -4.085 9.155) 10.102 2.321 ( -1.121 -3.907 -4.634) 6.164 2.440 ( 1.904 7.293 1.846) 7.760 2.510 ( 2.617 6.761 -3.145) 7.903 2.835 ( -6.798 -3.074 4.047) 8.488 2.953 ( -3.897 -1.904 -2.404) 4.959 3.139 ( -0.977 -13.369 -0.408) 13.411 3.310 ( 4.732 -10.530 0.102) 11.545 3.469 ( -0.233 5.546 9.309) 10.838 3.731 ( 5.061 0.824 -4.944) 7.123 3.822 ( -0.832 -3.660 11.598) 12.190 3.972 ( 0.887 -1.603 2.265) 2.913 4.217 ( 0.697 -4.189 1.841) 4.629 4.400 ( 7.123 0.454 -0.154) 7.140 4.566 ( -1.213 14.156 17.198) 22.308 4.812 ( 4.604 8.990 -4.259) 10.961 5.061 ( -0.148 2.218 -5.747) 6.162 5.158 ( 4.734 -0.085 7.055) 8.497 5.354 ( -0.491 7.073 -5.203) 8.794 5.420 ( 4.508 5.428 -8.751) 11.241 5.684 ( -1.178 -1.202 2.453) 2.975 5.717 ( -1.876 1.334 -6.275) 6.684 6.686 ( 5.849 3.245 -1.515) 6.858 6.717 ( 6.021 3.788 0.313) 7.120 7.318 ( 3.134 -3.136 6.883) 8.188 7.447 ( 4.620 -3.737 -0.222) 5.947 7.917 ( -5.258 3.477 2.556) 6.802 8.014 ( -4.690 2.033 -5.028) 7.170 8.370 ( -8.714 1.835 -2.174) 9.166 8.446 ( 0.610 -2.741 3.883) 4.792 8.581 ( -4.350 7.319 2.351) 8.833 8.908 ( 6.184 9.793 -2.995) 11.963 9.250 ( -2.477 -4.912 12.351) 13.521 9.348 ( -3.566 -0.504 -5.069) 6.219 9.606 ( 1.255 -1.368 -0.533) 1.931 9.746 ( 2.166 -1.348 -4.906) 5.530 9.921 ( 0.040 4.624 0.745) 4.683 9.956 ( -2.771 -3.113 2.747) 4.991 10.570 ( -3.449 5.761 -1.763) 6.942 10.611 ( 2.900 1.779 9.233) 9.840 11.427 ( -14.361 11.173 -9.792) 20.663 11.747 ( -2.665 0.229 -4.335) 5.094 11.782 ( -12.172 12.046 3.973) 17.579 11.907 ( 7.338 2.566 7.725) 10.960 12.060 ( 2.666 -1.986 -1.971) 3.865 12.297 ( 2.176 1.772 6.468) 7.051 12.679 ( -5.388 0.121 -3.307) 6.323 12.915 ( -12.721 -1.643 -1.645) 12.931 13.014 ( 20.307 -0.751 4.624) 20.840 13.341 ( 12.686 -2.949 1.951) 13.169 14.575 ( -20.848 10.343 -4.427) 23.690 14.750 ( -9.880 7.653 6.825) 14.239 15.218 ( -0.513 -5.395 -3.990) 6.730 15.356 ( -9.172 -13.209 -0.552) 16.091 15.567 ( 6.410 3.902 0.209) 7.507 16.020 ( 3.648 0.258 4.441) 5.753 16.144 ( 8.165 -5.492 -0.444) 9.851 16.649 ( 13.846 -9.242 -4.094) 17.143 17.797 ( -4.032 1.470 13.409) 14.079 17.973 ( 2.108 -1.512 3.149) 4.080 18.214 ( -2.215 1.627 0.032) 2.749 18.430 ( 4.721 -4.526 -2.066) 6.859 19.169 ( -11.588 1.430 7.491) 13.872 19.316 ( -12.745 -0.199 -2.037) 12.908 19.821 ( 6.226 -3.966 6.897) 10.103 20.232 ( 11.651 -11.586 -24.471) 29.475 23.734 ( -7.474 0.985 25.619) 26.705 24.038 ( -1.961 -5.918 15.888) 17.067 24.322 ( 2.800 -1.926 -24.243) 24.480 24.501 ( 5.723 -5.272 -24.129) 25.353 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.720 -4.187 6.587) 8.646 1.924 ( 7.579 9.018 -5.242) 12.894 2.252 ( -3.120 -8.766 -1.722) 9.463 2.281 ( -1.465 -1.947 0.150) 2.442 2.513 ( 4.264 4.210 -1.200) 6.111 2.579 ( 5.214 8.568 2.494) 10.336 2.724 ( -4.359 -1.066 1.356) 4.688 2.903 ( -1.481 6.579 2.949) 7.360 3.164 ( 3.745 -6.885 4.411) 8.994 3.312 ( -1.044 -8.101 -1.457) 8.297 3.581 ( 4.261 1.486 5.721) 7.287 3.768 ( 2.814 4.649 -5.569) 7.781 3.857 ( -0.159 -2.626 15.633) 15.853 4.072 ( 6.383 -7.012 5.868) 11.151 4.200 ( -2.412 -5.417 3.988) 7.146 4.464 ( -0.923 5.522 1.324) 5.753 4.657 ( 4.974 10.429 12.158) 16.773 4.895 ( 5.794 10.396 -10.582) 15.925 5.106 ( 5.935 -0.149 -4.001) 7.160 5.230 ( -0.605 -2.918 7.687) 8.244 5.333 ( 0.259 7.782 -3.281) 8.450 5.476 ( 3.693 4.129 -6.811) 8.779 5.642 ( -1.838 3.786 -8.680) 9.646 5.683 ( -1.331 -1.046 2.024) 2.639 6.832 ( 9.471 2.182 -2.911) 10.146 6.847 ( 7.356 2.482 -0.028) 7.763 7.428 ( 5.430 -2.713 5.562) 8.233 7.525 ( 1.982 -3.252 2.190) 4.393 7.791 ( -8.247 3.610 0.051) 9.003 7.848 ( -9.834 3.258 -5.237) 11.608 8.229 ( -4.633 5.641 4.617) 8.638 8.479 ( -2.037 1.049 2.576) 3.448 8.533 ( 2.555 2.104 2.168) 3.956 8.971 ( 1.005 8.018 -2.368) 8.421 9.197 ( -1.007 1.313 -4.245) 4.556 9.330 ( -1.684 -4.145 5.103) 6.787 9.631 ( 2.252 -1.320 -1.292) 2.913 9.775 ( 3.030 -1.006 -4.119) 5.211 9.871 ( -7.598 -0.017 8.534) 11.426 9.947 ( 1.430 3.183 0.216) 3.496 10.494 ( -3.768 9.368 1.206) 10.169 10.725 ( 6.188 -1.856 9.365) 11.377 11.131 ( -11.668 12.708 -14.716) 22.675 11.530 ( -10.681 -0.014 -9.726) 14.445 11.694 ( -4.137 8.604 8.263) 12.626 12.057 ( 2.763 1.651 3.808) 4.986 12.132 ( 6.509 0.421 -0.340) 6.531 12.312 ( -3.488 -3.901 11.269) 12.425 12.554 ( -8.627 -4.768 -3.120) 10.339 12.654 ( -9.678 0.977 -2.078) 9.947 13.461 ( 22.520 -1.947 5.112) 23.175 13.620 ( 15.736 0.579 1.862) 15.856 14.210 ( -14.577 7.963 -3.161) 16.908 14.592 ( -9.180 2.514 1.808) 9.688 14.973 ( -21.722 -17.835 -3.937) 28.380 15.065 ( -13.428 -9.472 -0.628) 16.445 15.803 ( 14.993 6.729 1.251) 16.482 16.232 ( 13.800 10.618 4.969) 18.107 16.364 ( 11.019 -6.084 2.329) 12.801 16.788 ( 2.656 -2.711 -7.999) 8.854 17.767 ( -3.132 1.160 14.688) 15.063 18.030 ( 3.197 -5.613 1.480) 6.627 18.233 ( 2.857 0.854 3.331) 4.470 18.470 ( -0.647 -6.104 -1.689) 6.366 18.957 ( -11.944 1.715 6.047) 13.497 19.083 ( -9.058 0.245 -3.375) 9.670 19.943 ( 3.423 -4.343 8.302) 9.975 20.338 ( 7.391 -11.943 -25.920) 29.480 23.668 ( -7.133 3.211 25.765) 26.926 24.047 ( -1.313 -5.408 10.180) 11.602 24.292 ( 1.289 -1.304 -18.969) 19.058 24.541 ( 5.760 -5.827 -23.986) 25.346 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 3.792 -8.310 7.249) 11.662 2.017 ( 3.130 4.341 -2.998) 6.135 2.162 ( -4.812 -9.588 -2.410) 10.995 2.213 ( -4.114 -2.663 -2.674) 5.583 2.582 ( 3.039 2.182 -0.424) 3.765 2.654 ( -1.099 4.560 -1.670) 4.979 2.723 ( 6.175 7.728 3.157) 10.383 2.874 ( -3.237 11.131 2.013) 11.765 3.299 ( 7.304 6.374 3.830) 10.423 3.348 ( 3.729 -14.327 5.085) 15.653 3.576 ( -2.681 0.910 0.986) 2.998 3.719 ( -7.680 2.844 -0.163) 8.192 4.007 ( 8.751 0.072 15.100) 17.453 4.162 ( -0.818 -5.907 10.478) 12.056 4.213 ( 3.706 -8.087 0.354) 8.903 4.409 ( -4.056 4.092 -4.627) 7.389 4.739 ( -1.213 9.953 13.917) 17.153 4.973 ( 5.932 9.517 -11.839) 16.307 5.149 ( -5.747 -0.560 7.600) 9.545 5.240 ( 5.680 -1.730 -7.768) 9.777 5.340 ( 0.025 5.027 2.586) 5.654 5.515 ( 1.131 2.589 -9.349) 9.767 5.604 ( -1.240 4.292 -0.693) 4.521 5.656 ( 1.083 3.486 -5.291) 6.428 6.962 ( 3.518 1.622 1.910) 4.320 6.995 ( 6.331 1.054 -2.951) 7.064 7.476 ( -5.018 -3.527 7.196) 9.455 7.528 ( 2.173 -4.086 0.986) 4.732 7.625 ( -7.423 5.050 0.718) 9.007 7.719 ( -1.975 4.869 -6.530) 8.381 8.227 ( 1.590 7.486 10.008) 12.599 8.414 ( -2.697 4.572 -2.029) 5.683 8.675 ( 8.826 0.903 4.516) 9.955 8.933 ( -3.734 6.624 -5.115) 9.164 9.223 ( 3.511 3.147 -5.155) 6.986 9.252 ( -5.925 -2.212 1.061) 6.413 9.708 ( 5.197 -2.111 0.689) 5.651 9.749 ( -5.825 4.609 10.211) 12.626 9.832 ( 1.101 -5.124 -0.338) 5.252 9.950 ( 0.871 3.190 -6.273) 7.091 10.474 ( 1.016 13.356 9.683) 16.528 10.892 ( 8.138 -3.386 8.542) 12.275 10.901 ( -8.846 12.103 -15.279) 21.405 11.286 ( -11.269 -3.749 -10.637) 15.944 11.709 ( 3.935 4.952 9.119) 11.098 11.999 ( -8.537 -1.710 -2.410) 9.034 12.233 ( -2.770 2.127 9.919) 10.515 12.292 ( 5.609 -2.173 0.660) 6.051 12.439 ( 0.185 -3.277 -1.448) 3.587 12.541 ( -4.157 -2.189 -1.600) 4.963 13.831 ( 11.109 -1.914 8.765) 14.279 13.921 ( 15.881 2.736 -1.303) 16.167 14.030 ( -4.124 4.786 1.640) 6.527 14.341 ( -16.676 -8.018 -9.127) 20.632 14.663 ( -8.508 -9.456 6.367) 14.224 14.831 ( -7.834 -11.227 -5.829) 14.879 16.109 ( 15.269 7.195 5.229) 17.671 16.384 ( -2.369 7.123 1.334) 7.624 16.553 ( 7.902 1.662 1.980) 8.314 16.747 ( -2.458 0.795 -8.992) 9.356 17.788 ( 0.476 -1.494 17.521) 17.591 18.077 ( -0.296 -9.967 0.071) 9.971 18.293 ( 1.946 -0.510 1.613) 2.579 18.413 ( -2.173 -4.813 -4.108) 6.691 18.805 ( -5.293 2.814 9.501) 11.234 18.974 ( -1.373 0.751 -6.472) 6.659 19.989 ( -1.615 -5.042 11.655) 12.801 20.364 ( 3.690 -12.263 -25.538) 28.569 23.629 ( -4.953 4.810 26.200) 27.094 24.052 ( -0.087 -3.959 2.834) 4.869 24.262 ( 0.424 -1.253 -11.910) 11.983 24.568 ( 4.578 -6.396 -24.158) 25.406 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -1.969 -5.070 7.002) 8.866 1.990 ( -3.873 -3.318 -6.994) 8.656 2.112 ( -1.022 -2.100 3.595) 4.287 2.184 ( 3.540 -3.473 0.390) 4.975 2.564 ( -3.551 5.204 0.290) 6.307 2.676 ( 2.054 -0.227 -2.053) 2.913 2.750 ( -2.446 6.545 -0.332) 6.995 2.920 ( 7.409 8.009 -3.131) 11.351 3.312 ( -6.756 2.978 1.840) 7.609 3.423 ( 0.016 -5.736 -1.734) 5.992 3.490 ( -6.832 4.086 10.537) 13.207 3.683 ( 5.370 -2.486 2.942) 6.608 4.109 ( -4.865 -2.096 15.337) 16.226 4.133 ( -4.408 -1.385 4.985) 6.797 4.292 ( 1.150 -1.880 -8.451) 8.733 4.343 ( 3.904 -1.804 -0.291) 4.310 4.696 ( -7.843 8.087 16.367) 19.869 5.010 ( 0.456 9.356 -12.000) 15.223 5.053 ( -4.877 -0.811 7.770) 9.209 5.332 ( 1.445 3.698 -2.879) 4.904 5.337 ( 1.795 -1.692 0.220) 2.476 5.477 ( -0.897 3.290 -5.048) 6.092 5.529 ( -3.272 5.925 -2.483) 7.209 5.738 ( 6.047 4.031 -7.198) 10.228 6.927 ( -7.520 1.483 3.703) 8.513 6.984 ( -6.750 -0.560 -0.055) 6.774 7.488 ( 3.025 -1.918 2.949) 4.640 7.549 ( -1.876 5.096 9.265) 10.739 7.613 ( 8.488 -5.115 -5.507) 11.337 7.660 ( -2.529 4.124 -1.078) 4.957 8.319 ( 3.875 7.285 8.048) 11.527 8.389 ( 1.440 5.945 -5.259) 8.067 8.748 ( -6.616 5.858 -2.149) 9.094 8.885 ( 4.470 1.673 -1.527) 5.011 9.107 ( -6.203 7.130 3.813) 10.191 9.340 ( 7.361 -1.513 -5.510) 9.318 9.655 ( -5.063 0.921 5.210) 7.323 9.752 ( -6.093 -2.088 5.926) 8.753 9.865 ( 7.371 -0.951 -2.698) 7.907 10.020 ( 6.986 -0.452 -9.218) 11.575 10.586 ( 5.409 14.927 15.295) 22.046 10.681 ( -8.552 11.317 -10.534) 17.669 11.056 ( -4.732 -4.363 -3.703) 7.426 11.099 ( 5.900 -3.360 3.940) 7.850 11.840 ( -2.366 1.178 -1.404) 2.992 11.903 ( 9.257 0.307 4.219) 10.178 12.186 ( -2.278 0.258 9.029) 9.316 12.393 ( -5.826 -1.254 2.085) 6.313 12.442 ( 8.920 -1.839 -6.116) 10.971 12.548 ( 4.708 -2.025 -3.291) 6.091 13.821 ( -10.690 7.228 8.882) 15.665 13.976 ( -15.461 -8.055 -3.037) 17.695 14.055 ( -1.280 1.208 -3.097) 3.562 14.243 ( 18.653 -6.559 -0.119) 19.773 14.635 ( 4.063 -8.557 8.413) 12.669 14.850 ( 10.963 -9.099 -6.885) 15.824 16.172 ( -16.285 10.645 -1.570) 19.519 16.380 ( 9.298 5.168 3.107) 11.082 16.612 ( -3.265 1.898 0.796) 3.860 16.656 ( -4.672 0.174 -5.720) 7.388 17.859 ( -0.095 -5.195 18.398) 19.118 17.995 ( -5.957 -8.421 -1.263) 10.392 18.352 ( 4.702 -0.305 -0.482) 4.736 18.410 ( 1.975 -2.794 -6.008) 6.914 18.802 ( 1.618 1.673 9.345) 9.630 18.985 ( 4.774 0.550 -6.571) 8.141 19.960 ( -5.298 -4.852 14.413) 16.104 20.331 ( 0.361 -12.167 -22.480) 25.564 23.638 ( -2.439 4.919 26.511) 27.074 24.065 ( 1.054 -3.358 0.041) 3.520 24.237 ( 0.222 -1.118 -9.032) 9.104 24.569 ( 3.262 -6.737 -24.434) 25.554 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -8.353 5.201 5.629) 11.336 1.876 ( -4.843 0.203 -5.965) 7.686 2.133 ( 1.054 -0.415 6.776) 6.870 2.290 ( 4.677 -5.832 2.355) 7.838 2.498 ( -3.063 4.080 -0.635) 5.141 2.639 ( -2.850 4.240 -2.854) 5.851 2.782 ( 4.127 -6.345 -4.135) 8.625 2.951 ( -3.301 3.549 -2.633) 5.516 3.232 ( -4.535 0.195 -0.900) 4.627 3.288 ( -0.854 -9.711 1.156) 9.817 3.537 ( 1.359 11.038 9.942) 14.918 3.720 ( -3.979 -0.856 0.338) 4.084 3.958 ( -9.019 -4.070 2.701) 10.257 4.112 ( -1.686 -1.462 12.048) 12.252 4.253 ( -1.161 -0.204 -10.786) 10.850 4.419 ( 0.242 -3.018 4.091) 5.090 4.584 ( -7.547 9.837 18.324) 22.125 4.912 ( -6.509 8.711 -8.636) 13.886 5.005 ( -2.947 -0.240 5.489) 6.235 5.286 ( -2.742 6.402 -1.759) 7.183 5.364 ( 0.093 -3.768 1.928) 4.233 5.478 ( -0.754 8.622 -8.184) 11.911 5.530 ( 5.687 1.845 -2.548) 6.499 5.796 ( 2.210 1.635 -6.664) 7.208 6.772 ( -8.648 1.623 3.091) 9.326 6.821 ( -8.926 0.694 2.011) 9.176 7.444 ( -6.083 1.442 7.590) 9.833 7.503 ( -6.211 -1.026 0.707) 6.335 7.758 ( 10.069 2.081 3.875) 10.988 7.812 ( 11.705 -3.636 -3.120) 12.647 8.355 ( 0.186 4.287 -6.434) 7.734 8.451 ( 3.394 10.546 7.443) 13.346 8.620 ( -2.154 1.882 -8.479) 8.948 8.943 ( 0.004 5.623 0.731) 5.670 9.057 ( -0.354 7.122 7.032) 10.015 9.438 ( 3.403 -4.986 -2.182) 6.419 9.593 ( -1.440 1.366 -0.372) 2.019 9.690 ( -1.849 -2.450 3.942) 4.996 9.948 ( 0.993 -1.145 -1.569) 2.181 10.091 ( 2.899 -2.949 -8.506) 9.457 10.511 ( -4.438 10.615 -0.695) 11.527 10.796 ( 4.816 9.808 9.116) 14.230 10.928 ( 2.140 2.439 -2.567) 4.137 11.318 ( 10.628 -3.432 10.421) 15.275 11.842 ( 3.660 5.130 -3.754) 7.335 12.007 ( 0.477 3.890 2.269) 4.529 12.173 ( -5.546 0.384 0.529) 5.584 12.440 ( 10.033 -1.154 8.200) 13.009 12.552 ( 5.246 -6.816 -12.559) 15.222 12.622 ( 5.028 1.528 0.881) 5.328 13.562 ( -19.264 -0.840 -3.362) 19.574 13.622 ( -16.684 -0.742 -0.026) 16.701 14.117 ( 8.975 3.186 6.083) 11.300 14.619 ( 19.157 -2.716 -0.623) 19.358 14.856 ( 14.992 -10.893 7.168) 19.869 15.095 ( 14.443 -8.005 -3.230) 16.826 15.818 ( -18.977 12.470 -0.485) 22.712 16.359 ( -9.893 5.087 -7.819) 13.597 16.444 ( -12.072 -4.879 -6.054) 14.359 16.628 ( -0.300 -1.640 8.712) 8.870 17.855 ( -4.625 -5.612 13.586) 15.410 17.935 ( -0.217 -3.005 2.142) 3.697 18.343 ( -3.625 3.169 -5.373) 7.215 18.478 ( 3.933 -3.198 -3.430) 6.121 18.928 ( 8.480 -0.030 6.100) 10.447 19.130 ( 12.629 -1.903 -3.751) 13.311 19.884 ( -7.056 -3.796 14.313) 16.403 20.241 ( -3.413 -11.243 -17.896) 21.408 23.689 ( -0.881 3.473 26.612) 26.852 24.083 ( -0.948 -5.087 7.774) 9.339 24.226 ( 3.022 0.216 -16.332) 16.611 24.548 ( 2.317 -6.775 -24.770) 25.784 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -9.099 12.130 6.860) 16.642 1.787 ( -3.203 2.316 -6.670) 7.753 2.170 ( 0.115 0.909 9.426) 9.470 2.332 ( -0.064 -4.639 0.093) 4.641 2.451 ( -1.549 4.029 -0.721) 4.377 2.563 ( -3.352 6.153 -6.614) 9.636 2.846 ( 2.631 -6.165 4.130) 7.873 2.950 ( 5.580 -8.510 -4.298) 11.047 3.144 ( -2.806 -7.912 0.069) 8.395 3.323 ( -0.946 -7.866 -0.726) 7.956 3.555 ( -3.511 6.823 12.656) 14.801 3.617 ( -2.270 4.322 -5.311) 7.214 3.846 ( -3.467 -1.925 4.309) 5.856 4.073 ( -4.582 -3.591 -0.317) 5.830 4.218 ( -0.327 0.977 0.140) 1.040 4.361 ( -6.687 -6.647 3.109) 9.928 4.545 ( -3.218 13.947 19.397) 24.107 4.785 ( -3.141 9.081 -4.565) 10.638 4.987 ( -0.112 -0.273 6.201) 6.208 5.223 ( -3.230 8.748 -5.288) 10.720 5.353 ( -0.538 -1.608 -4.527) 4.834 5.449 ( -0.436 7.246 -7.015) 10.094 5.619 ( 3.911 1.400 -0.506) 4.185 5.797 ( 0.248 -0.305 -5.944) 5.957 6.649 ( -4.386 2.583 2.062) 5.492 6.688 ( -5.580 3.183 2.796) 7.006 7.351 ( -5.877 0.036 8.445) 10.289 7.399 ( -3.589 -4.010 -0.591) 5.414 7.924 ( 5.338 1.842 3.071) 6.428 7.992 ( 7.270 -1.541 -3.618) 8.266 8.350 ( 1.656 2.995 -1.388) 3.693 8.523 ( 2.154 6.355 2.307) 7.096 8.621 ( 3.871 2.674 -5.673) 7.370 8.877 ( -5.992 10.564 -0.854) 12.175 9.129 ( 3.257 0.162 12.499) 12.917 9.468 ( 1.127 -2.854 -0.618) 3.130 9.588 ( 0.604 -0.559 -3.698) 3.789 9.691 ( 0.748 -4.834 -0.464) 4.913 9.920 ( -1.805 1.440 0.326) 2.332 10.080 ( -1.648 -2.764 -6.958) 7.666 10.489 ( 0.422 8.372 6.406) 10.550 10.730 ( -4.784 1.114 -2.923) 5.716 11.214 ( 17.554 10.490 10.296) 22.895 11.550 ( 10.486 -0.972 10.180) 14.648 11.889 ( -0.762 5.708 -0.820) 5.817 12.026 ( -0.531 4.067 -2.534) 4.821 12.063 ( -0.039 3.633 -4.520) 5.799 12.450 ( -7.289 5.013 -5.770) 10.562 12.616 ( 2.207 -1.274 2.002) 3.240 12.849 ( 14.686 -7.132 2.715) 16.551 13.133 ( -20.769 -1.101 -6.626) 21.828 13.363 ( -11.867 -1.474 -0.039) 11.959 14.451 ( 22.483 6.047 7.681) 24.517 14.904 ( 11.978 7.656 -7.914) 16.270 15.120 ( 5.213 -3.741 5.904) 8.719 15.280 ( -1.727 -9.690 5.536) 11.293 15.577 ( 1.457 6.035 0.103) 6.210 16.131 ( -13.645 -9.096 -7.455) 18.014 16.195 ( -4.578 0.504 -5.128) 6.893 16.559 ( -10.087 -7.644 5.241) 13.699 17.828 ( -2.300 -1.240 13.078) 13.337 17.941 ( -0.633 -1.401 2.967) 3.342 18.276 ( -0.455 3.531 -4.712) 5.906 18.460 ( -3.931 -2.599 -5.757) 7.440 19.129 ( 9.818 0.624 7.373) 12.294 19.404 ( 14.442 -3.749 -3.211) 15.262 19.780 ( -7.569 -3.102 10.690) 13.460 20.111 ( -3.950 -10.233 -15.348) 18.865 23.751 ( -1.370 1.210 26.579) 26.642 24.065 ( -4.307 -6.019 16.056) 17.680 24.261 ( 6.744 0.016 -24.131) 25.055 24.513 ( 2.066 -6.388 -25.108) 25.990 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -3.276 12.067 6.003) 13.870 1.923 ( 2.590 10.303 -7.383) 12.937 2.048 ( -1.584 -10.226 6.957) 12.469 2.170 ( 0.936 -10.826 -5.243) 12.065 2.569 ( 0.104 3.668 0.952) 3.791 2.580 ( -0.068 1.540 -0.334) 1.577 2.872 ( 3.553 1.617 5.135) 6.451 2.924 ( 5.112 -3.704 4.884) 7.982 3.000 ( -3.656 0.989 -4.181) 5.641 3.080 ( -4.123 -4.946 -7.348) 9.770 3.535 ( -0.794 -3.472 2.678) 4.456 3.552 ( -0.996 -4.657 2.165) 5.232 3.857 ( -6.914 5.745 13.832) 16.496 3.983 ( -5.236 -4.264 8.766) 11.066 4.182 ( 3.848 3.009 -5.027) 7.009 4.244 ( 5.648 -1.944 -5.519) 8.132 4.796 ( -2.269 6.741 8.616) 11.172 4.878 ( -2.549 -0.038 0.707) 2.646 5.068 ( 3.661 4.907 8.281) 10.298 5.172 ( -1.875 -2.769 -1.421) 3.634 5.472 ( 1.291 8.447 -1.895) 8.752 5.572 ( -0.920 6.697 -7.161) 9.848 5.632 ( 1.614 -3.142 -3.064) 4.676 5.728 ( 0.323 -4.637 -8.453) 9.647 6.693 ( 1.573 1.908 2.254) 3.346 6.696 ( 0.232 1.597 2.020) 2.585 7.259 ( -2.349 -0.523 5.129) 5.665 7.290 ( 0.533 -3.516 2.189) 4.176 8.020 ( 0.466 2.012 1.696) 2.672 8.053 ( 1.892 -1.104 -1.285) 2.539 8.408 ( -0.868 2.483 0.127) 2.633 8.475 ( -2.192 -3.347 -6.625) 7.740 8.836 ( -2.031 6.844 9.095) 11.563 8.923 ( -0.169 0.026 3.320) 3.324 9.207 ( -0.200 4.393 2.328) 4.976 9.354 ( -1.182 -7.435 -9.113) 11.820 9.573 ( 1.240 1.240 3.135) 3.592 9.629 ( 2.008 -4.055 -2.730) 5.285 9.980 ( -0.122 3.542 2.410) 4.286 10.021 ( -0.961 0.036 -1.896) 2.126 10.637 ( -0.335 4.028 5.982) 7.219 10.683 ( -1.470 -0.111 1.305) 1.969 11.672 ( 9.290 5.003 9.813) 14.410 11.739 ( 6.790 -1.007 4.895) 8.431 11.894 ( -3.817 2.463 -0.100) 4.543 11.930 ( -3.700 -1.308 -3.183) 5.053 12.301 ( -11.065 4.229 -4.397) 12.636 12.321 ( -1.868 3.038 -6.408) 7.334 12.748 ( 9.856 3.630 5.405) 11.813 12.826 ( -0.710 -1.946 -1.912) 2.819 13.008 ( 2.542 -0.617 2.771) 3.810 13.074 ( -7.165 -4.952 -3.393) 9.347 14.994 ( 12.898 1.406 3.253) 13.376 15.024 ( -3.857 -1.512 0.207) 4.148 15.143 ( -10.257 7.117 7.375) 14.500 15.246 ( 2.925 -1.207 -1.768) 3.625 15.644 ( -3.912 2.451 1.526) 4.862 15.750 ( 5.307 -6.024 -8.078) 11.389 16.155 ( -8.410 -3.300 1.078) 9.099 16.179 ( 6.031 -5.269 -1.411) 8.132 17.874 ( -1.722 2.838 12.414) 12.850 17.922 ( -0.414 -1.545 7.815) 7.977 18.302 ( -1.838 1.144 -2.853) 3.582 18.331 ( -1.409 -1.562 -5.612) 5.993 19.335 ( -0.436 4.134 12.122) 12.815 19.439 ( -2.136 -5.382 9.323) 10.975 19.722 ( 2.548 4.750 -10.868) 12.131 19.873 ( 5.890 -9.204 -18.459) 21.450 23.814 ( -4.299 3.626 23.304) 23.973 23.915 ( -3.898 -5.787 20.547) 21.699 24.314 ( 5.073 1.713 -26.788) 27.318 24.380 ( 4.218 -4.427 -25.972) 26.682 ======================= Grid point 218 (120/125) ======================= q-point: ( 0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.293 10.824 5.862) 12.313 1.995 ( 6.286 9.129 -5.813) 12.516 2.046 ( -1.195 -12.116 6.019) 13.581 2.187 ( 2.114 -8.474 -3.922) 9.573 2.567 ( 0.874 4.370 -0.445) 4.479 2.615 ( 2.541 1.250 0.176) 2.837 2.815 ( -6.584 0.620 -1.690) 6.826 2.879 ( -3.937 -6.332 -4.178) 8.547 3.027 ( 4.877 6.837 2.829) 8.862 3.173 ( 8.877 -5.279 1.733) 10.473 3.559 ( 2.952 0.006 5.071) 5.868 3.619 ( 5.759 -6.711 1.895) 9.044 3.784 ( -4.687 3.605 15.665) 16.744 3.907 ( -4.602 -5.485 11.900) 13.888 4.279 ( 5.261 7.042 -8.127) 11.971 4.388 ( 9.048 -2.576 -4.861) 10.589 4.778 ( -1.746 6.156 10.875) 12.618 4.864 ( 2.274 -2.253 1.313) 3.460 5.144 ( -0.179 3.285 -4.855) 5.865 5.162 ( 2.783 0.707 7.333) 7.875 5.494 ( 0.484 6.055 1.855) 6.351 5.543 ( 0.003 5.084 -4.755) 6.961 5.640 ( 0.739 -1.752 -3.708) 4.167 5.702 ( 0.013 -3.333 -10.793) 11.296 6.744 ( 4.802 2.209 -0.874) 5.357 6.765 ( 5.111 0.531 0.167) 5.141 7.291 ( 3.872 1.043 5.387) 6.716 7.356 ( 4.852 -4.545 3.332) 7.437 7.984 ( -4.349 2.859 -0.666) 5.247 8.026 ( -4.017 -0.950 -3.839) 5.637 8.387 ( -3.142 0.541 2.445) 4.017 8.405 ( -2.231 -1.254 0.735) 2.662 8.753 ( -6.234 9.009 4.929) 12.013 8.932 ( -2.202 -6.906 5.705) 9.224 9.246 ( 3.419 4.858 1.082) 6.038 9.335 ( 0.870 -2.130 -3.663) 4.325 9.583 ( -0.185 0.254 0.370) 0.485 9.647 ( 0.813 -5.513 -3.858) 6.778 9.974 ( -1.168 3.398 1.991) 4.108 10.005 ( -0.188 1.106 -1.479) 1.857 10.651 ( -0.038 2.142 6.228) 6.586 10.659 ( -1.510 1.792 2.278) 3.269 11.623 ( -10.652 7.135 -9.259) 15.814 11.719 ( -7.482 -2.636 -9.345) 12.258 11.947 ( 3.760 2.994 8.955) 10.164 11.979 ( 5.782 1.399 2.430) 6.426 12.072 ( -7.727 6.275 5.343) 11.297 12.236 ( -6.285 -7.030 6.225) 11.299 12.729 ( -6.183 4.424 -4.479) 8.824 12.832 ( -7.629 -5.103 -4.852) 10.382 13.102 ( 17.252 7.057 4.350) 19.141 13.247 ( 15.489 -6.187 3.369) 17.016 14.751 ( -19.334 8.344 -7.835) 22.468 14.918 ( -13.845 7.267 6.516) 16.940 14.983 ( -13.032 -11.476 -2.578) 17.555 15.127 ( -13.528 -9.934 5.600) 17.694 15.728 ( 11.448 10.447 -0.781) 15.518 15.944 ( 13.227 -9.414 -2.596) 16.441 16.196 ( 11.772 10.114 2.717) 15.757 16.429 ( 16.189 -11.534 -1.512) 19.935 17.855 ( -3.571 3.734 11.078) 12.224 17.930 ( -1.329 -3.005 7.173) 7.890 18.262 ( -0.872 3.003 0.549) 3.175 18.337 ( 1.561 -4.210 -0.702) 4.544 19.221 ( -11.547 3.384 6.296) 13.580 19.289 ( -12.354 -2.629 3.129) 13.013 19.825 ( 8.235 4.670 -7.247) 11.923 19.993 ( 9.921 -10.757 -18.279) 23.415 23.793 ( -5.086 4.570 23.275) 24.258 23.909 ( -3.191 -6.332 20.364) 21.563 24.321 ( 4.061 1.946 -26.425) 26.806 24.394 ( 5.159 -4.730 -25.520) 26.462 ======================= Grid point 219 (121/125) ======================= q-point: ( 0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -1.299 7.497 4.365) 8.772 2.011 ( -3.875 -12.799 1.769) 13.490 2.074 ( 2.673 6.065 -4.730) 8.142 2.196 ( -1.366 -5.729 -2.629) 6.450 2.602 ( 2.859 5.093 -0.295) 5.847 2.682 ( 4.299 -0.369 0.790) 4.387 2.748 ( 1.056 3.358 -2.385) 4.252 2.865 ( 3.842 -9.522 -2.570) 10.584 3.144 ( 5.714 10.656 6.310) 13.639 3.312 ( 4.389 -1.715 2.690) 5.426 3.639 ( 0.948 2.117 5.901) 6.340 3.744 ( 7.096 -3.404 1.961) 8.111 3.792 ( 1.088 -0.528 15.768) 15.814 3.923 ( 3.051 -7.404 12.525) 14.866 4.264 ( -4.231 9.678 -5.026) 11.697 4.453 ( -1.617 -6.369 -4.752) 8.109 4.849 ( 5.337 8.139 9.411) 13.538 4.983 ( 8.130 -3.619 -1.141) 8.972 5.142 ( 2.147 4.120 -5.361) 7.094 5.194 ( -1.127 -0.879 5.034) 5.232 5.481 ( -1.796 5.992 0.794) 6.305 5.540 ( -0.684 1.190 1.572) 2.087 5.656 ( 2.259 -0.533 -4.645) 5.192 5.677 ( 1.308 -0.695 -11.810) 11.903 6.866 ( 8.302 1.246 -2.943) 8.896 6.879 ( 6.883 0.290 -1.440) 7.038 7.402 ( 4.388 0.609 5.221) 6.847 7.449 ( 1.953 -3.537 4.920) 6.367 7.862 ( -6.869 2.736 -3.946) 8.380 7.889 ( -7.614 0.359 -5.490) 9.394 8.336 ( -1.342 4.619 6.057) 7.734 8.423 ( 2.028 -3.940 6.606) 7.955 8.668 ( -3.670 9.272 4.017) 10.751 8.889 ( -3.140 -10.920 3.986) 12.041 9.314 ( 3.136 6.693 -1.812) 7.610 9.347 ( 0.739 2.962 0.358) 3.074 9.588 ( 0.766 -1.775 1.509) 2.453 9.648 ( 0.591 -7.352 -1.224) 7.477 9.945 ( -2.497 4.595 -0.172) 5.232 9.996 ( -0.102 0.123 -4.508) 4.511 10.645 ( -0.171 4.732 4.578) 6.586 10.698 ( 3.004 -1.161 7.902) 8.533 11.359 ( -12.119 8.883 -13.337) 20.091 11.489 ( -11.975 -3.912 -13.222) 18.263 11.882 ( -6.814 8.944 8.760) 14.253 12.048 ( -5.311 -5.069 7.136) 10.238 12.138 ( 8.029 1.018 3.591) 8.854 12.185 ( 2.055 -4.549 2.911) 5.778 12.574 ( -9.073 3.857 -0.928) 9.903 12.643 ( -9.356 -2.182 -1.604) 9.740 13.488 ( 19.789 4.200 3.987) 20.619 13.587 ( 18.301 -3.914 3.409) 19.023 14.369 ( -15.926 8.042 -8.392) 19.716 14.572 ( -20.405 -10.251 -9.990) 24.925 14.728 ( -12.385 2.185 6.834) 14.313 14.872 ( -14.648 -8.961 5.401) 18.001 15.989 ( 14.493 10.320 4.162) 18.272 16.199 ( 12.901 -9.489 4.000) 16.507 16.469 ( 13.515 11.365 -0.991) 17.687 16.675 ( 9.434 -8.137 -5.563) 13.644 17.816 ( -3.701 3.837 10.317) 11.613 17.917 ( -1.859 -5.473 5.470) 7.958 18.272 ( 0.646 2.915 3.736) 4.783 18.353 ( -0.459 -4.937 0.952) 5.049 19.016 ( -10.393 3.502 4.121) 11.716 19.074 ( -9.195 -1.595 0.104) 9.333 19.930 ( 4.363 3.760 -5.104) 7.696 20.091 ( 5.876 -10.980 -18.096) 21.967 23.768 ( -4.645 6.343 23.225) 24.520 23.913 ( -2.675 -7.233 19.475) 20.947 24.314 ( 3.453 3.336 -25.396) 25.846 24.415 ( 4.943 -5.962 -25.256) 26.417 ======================= Grid point 220 (122/125) ======================= q-point: ( 0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.221 2.913 4.775) 5.598 1.926 ( -4.249 -9.579 -1.604) 10.601 2.081 ( 0.207 1.124 -2.677) 2.911 2.135 ( -2.684 -4.039 -3.647) 6.068 2.664 ( 2.789 5.887 1.532) 6.693 2.739 ( 1.232 1.785 -2.053) 2.987 2.828 ( 6.126 2.262 -0.499) 6.549 2.924 ( 0.056 -7.141 -1.556) 7.309 3.270 ( 5.240 7.773 8.262) 12.495 3.378 ( 1.413 -0.306 3.234) 3.543 3.642 ( -0.382 7.295 8.740) 11.391 3.788 ( -1.975 -3.386 2.843) 4.842 3.980 ( 9.219 -1.232 12.541) 15.613 4.031 ( 3.484 -5.847 7.270) 9.959 4.156 ( -4.010 6.553 -1.094) 7.761 4.352 ( -5.836 -8.569 -5.851) 11.905 4.933 ( -0.728 8.489 9.651) 12.874 5.066 ( -0.201 -3.173 1.166) 3.386 5.173 ( 1.293 4.220 -2.389) 5.019 5.225 ( 5.439 -0.532 -6.173) 8.245 5.443 ( -2.984 4.694 4.104) 6.912 5.519 ( -1.948 -2.155 0.883) 3.036 5.671 ( 0.834 2.661 -5.534) 6.197 5.701 ( 4.611 0.294 -9.724) 10.766 6.993 ( 3.674 1.193 0.101) 3.864 7.007 ( 5.282 -0.058 -2.182) 5.715 7.418 ( -3.874 -1.282 3.580) 5.428 7.436 ( -0.984 -3.044 0.493) 3.237 7.744 ( -4.325 4.285 0.726) 6.132 7.781 ( -2.834 0.780 -2.715) 4.001 8.383 ( 3.779 7.229 6.649) 10.523 8.480 ( 1.363 -0.340 -0.005) 1.405 8.679 ( 3.995 2.943 8.060) 9.465 8.839 ( -3.592 -10.010 2.221) 10.864 9.346 ( 0.643 7.292 -1.273) 7.431 9.366 ( 2.067 6.883 -2.854) 7.732 9.628 ( 2.028 -4.194 5.406) 7.136 9.668 ( -0.004 -7.517 6.600) 10.004 9.876 ( -3.094 5.422 -6.028) 8.677 9.962 ( -0.926 -2.117 -9.575) 9.850 10.701 ( 4.220 8.140 9.398) 13.130 10.817 ( 6.601 -3.856 9.159) 11.930 11.109 ( -10.466 7.362 -12.433) 17.842 11.216 ( -12.097 -3.595 -11.033) 16.763 11.816 ( -1.329 5.068 5.806) 7.821 11.918 ( -7.207 -4.910 3.351) 9.342 12.277 ( 6.549 1.447 -1.204) 6.814 12.293 ( 4.911 0.772 2.094) 5.394 12.422 ( -4.719 1.995 2.444) 5.676 12.490 ( -6.698 -3.344 1.122) 7.570 13.807 ( 11.158 1.629 3.865) 11.920 13.900 ( 10.267 -5.455 2.781) 11.954 14.148 ( -6.677 5.397 -0.893) 8.632 14.222 ( -10.508 -2.527 -8.860) 13.975 14.549 ( -6.695 -1.081 3.437) 7.603 14.629 ( -9.123 -7.815 -0.598) 12.027 16.271 ( 12.450 8.181 7.597) 16.723 16.417 ( 6.714 -4.662 6.156) 10.233 16.631 ( 3.426 6.296 -4.475) 8.450 16.733 ( -0.629 -2.720 -8.220) 8.681 17.786 ( -2.572 2.058 11.475) 11.938 17.888 ( -3.140 -7.607 5.008) 9.634 18.297 ( 1.498 0.982 0.911) 2.009 18.335 ( -0.108 -2.764 -1.476) 3.136 18.890 ( -4.393 4.767 7.025) 9.559 18.968 ( -2.386 -2.059 0.049) 3.153 19.959 ( 0.213 3.026 -2.961) 4.239 20.113 ( 2.325 -10.980 -17.401) 20.707 23.759 ( -3.582 7.566 23.077) 24.549 23.924 ( -2.246 -7.811 18.471) 20.180 24.302 ( 3.116 4.595 -24.482) 25.103 24.426 ( 4.145 -6.931 -25.181) 26.444 ======================= Grid point 221 (123/125) ======================= q-point: (-0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.951 -0.282 4.687) 4.791 1.883 ( 1.757 -5.197 -1.449) 5.674 2.074 ( -0.905 -0.479 -1.275) 1.636 2.116 ( 2.279 -3.710 -1.975) 4.781 2.684 ( -1.718 5.567 0.763) 5.876 2.731 ( -0.625 4.398 -2.857) 5.282 2.821 ( -7.222 -0.223 0.763) 7.266 2.923 ( 0.606 -6.749 -1.588) 6.960 3.325 ( -3.808 4.275 2.940) 6.435 3.386 ( 0.172 1.253 2.522) 2.822 3.679 ( -1.929 6.827 7.538) 10.351 3.734 ( -1.154 1.866 4.213) 4.750 4.056 ( -2.348 -0.400 10.721) 10.982 4.072 ( -2.364 -0.477 3.151) 3.968 4.207 ( 6.246 -5.461 2.850) 8.773 4.241 ( -2.285 -6.459 -9.193) 11.465 4.904 ( -4.634 9.596 12.111) 16.131 5.033 ( -3.196 -2.588 6.651) 7.820 5.180 ( -0.662 6.278 -7.808) 10.040 5.274 ( 0.731 -3.409 -4.774) 5.912 5.403 ( -1.698 3.284 2.656) 4.552 5.473 ( -2.048 -2.687 3.759) 5.055 5.675 ( 1.623 6.569 -8.515) 10.876 5.764 ( 4.066 -1.629 -8.668) 9.712 6.950 ( -7.879 0.937 3.346) 8.612 6.969 ( -7.845 -0.877 2.283) 8.218 7.457 ( 6.279 -0.079 -2.029) 6.600 7.493 ( 6.985 -3.534 -3.988) 8.785 7.678 ( -3.500 3.793 7.463) 9.074 7.713 ( -3.979 0.517 4.227) 5.828 8.463 ( 1.148 6.576 -1.649) 6.875 8.512 ( 5.077 4.019 -3.111) 7.184 8.751 ( -5.290 -2.190 -0.107) 5.727 8.809 ( 4.916 -5.732 7.160) 10.406 9.346 ( -0.102 11.137 -2.287) 11.370 9.400 ( 2.378 5.535 -4.742) 7.667 9.627 ( -4.490 -4.132 4.888) 7.818 9.648 ( -4.634 -6.417 7.884) 11.171 9.861 ( 4.036 2.591 -2.926) 5.618 9.957 ( 3.894 -5.153 -9.990) 11.896 10.855 ( 7.807 10.128 13.459) 18.565 10.866 ( -9.700 7.210 -8.216) 14.614 10.969 ( -3.697 -4.096 -1.393) 5.690 11.024 ( 3.682 -5.328 3.718) 7.468 11.868 ( 1.938 1.819 1.107) 2.879 11.900 ( 8.382 -0.850 4.652) 9.624 12.250 ( -4.198 4.924 1.441) 6.629 12.345 ( -4.438 -3.683 -1.398) 5.934 12.443 ( 7.109 2.278 -1.191) 7.560 12.505 ( 6.740 -2.915 -0.566) 7.366 13.872 ( -9.001 -0.854 -2.263) 9.321 13.934 ( -9.605 -3.126 -0.498) 10.113 14.014 ( 2.567 3.899 9.531) 10.613 14.140 ( -0.464 -5.044 1.969) 5.434 14.570 ( 10.561 2.399 0.045) 10.830 14.682 ( 13.019 -7.274 -4.712) 15.640 16.383 ( -10.382 8.815 -2.127) 13.784 16.464 ( 2.534 1.791 3.281) 4.516 16.618 ( -2.237 -0.921 1.617) 2.910 16.629 ( -7.615 -2.380 -5.862) 9.900 17.789 ( -1.438 -0.766 13.326) 13.426 17.842 ( -2.362 -5.604 6.775) 9.104 18.354 ( 5.158 0.438 -3.777) 6.408 18.370 ( 4.119 -1.222 -5.497) 6.977 18.874 ( 0.086 4.853 8.443) 9.739 18.965 ( 1.721 -3.008 1.423) 3.746 19.933 ( -2.143 3.149 -0.749) 3.882 20.085 ( -0.051 -10.714 -14.894) 18.348 23.770 ( -2.612 7.618 22.896) 24.271 23.937 ( -2.271 -8.009 18.300) 20.105 24.288 ( 3.271 5.208 -24.525) 25.285 24.422 ( 3.372 -7.231 -25.330) 26.557 ======================= Grid point 222 (124/125) ======================= q-point: (-0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.101 3.888 0.617) 4.088 1.966 ( 4.255 -3.325 2.335) 5.884 2.042 ( -2.215 1.734 -0.220) 2.821 2.176 ( 3.020 -6.770 0.003) 7.413 2.618 ( -4.139 6.623 -1.606) 7.973 2.700 ( -3.666 1.767 1.171) 4.235 2.711 ( -0.971 -0.784 -1.105) 1.667 2.843 ( -7.037 -10.266 -0.411) 12.454 3.226 ( -6.343 7.655 -1.884) 10.118 3.343 ( -3.982 0.586 0.221) 4.031 3.649 ( -3.277 -0.301 4.041) 5.211 3.709 ( -4.467 -2.271 6.834) 8.474 3.983 ( -3.323 6.752 -4.575) 8.807 4.048 ( -3.669 -0.269 10.106) 10.754 4.216 ( 1.483 -2.568 -8.334) 8.846 4.284 ( -0.418 -7.711 8.220) 11.278 4.858 ( -3.961 11.080 11.162) 16.218 4.985 ( -3.721 -2.328 3.012) 5.323 5.082 ( -6.442 7.677 -1.240) 10.098 5.243 ( -2.247 -7.367 3.048) 8.283 5.409 ( 2.230 5.840 -2.345) 6.677 5.510 ( 4.090 -3.142 0.186) 5.161 5.664 ( -0.237 7.720 -9.193) 12.007 5.781 ( 0.459 -3.276 -8.774) 9.377 6.797 ( -7.903 1.216 3.728) 8.822 6.822 ( -7.414 -0.807 3.953) 8.441 7.448 ( -6.504 0.934 1.035) 6.651 7.486 ( -7.124 -1.926 1.830) 7.603 7.777 ( 10.190 0.086 3.540) 10.788 7.781 ( 8.901 0.033 4.447) 9.951 8.453 ( -0.286 5.653 -6.244) 8.428 8.569 ( 0.494 -4.372 -8.710) 9.758 8.691 ( 0.752 10.627 3.403) 11.184 8.892 ( 2.166 -7.509 4.954) 9.253 9.312 ( -2.633 12.275 -3.124) 12.938 9.423 ( 1.508 2.922 -4.367) 5.466 9.556 ( -3.315 -4.758 2.081) 6.161 9.592 ( -1.982 -6.172 3.684) 7.456 9.935 ( 2.491 1.600 1.792) 3.461 10.010 ( 3.298 -4.624 -5.100) 7.633 10.698 ( -5.883 7.148 -1.078) 9.321 10.809 ( -6.353 -3.705 -3.200) 8.020 11.101 ( 12.936 9.125 11.829) 19.761 11.244 ( 11.823 -4.770 11.491) 17.163 11.969 ( 6.029 6.899 1.105) 9.229 12.074 ( 5.075 -0.743 2.708) 5.800 12.188 ( -3.487 3.052 -3.243) 5.656 12.306 ( 5.980 -7.401 -4.672) 10.600 12.563 ( 4.913 3.266 -1.552) 6.100 12.620 ( 5.155 -1.703 0.456) 5.448 13.568 ( -19.655 2.675 -4.116) 20.259 13.627 ( -18.109 -1.353 -0.493) 18.166 14.191 ( 13.662 5.189 9.747) 17.566 14.382 ( 20.183 -13.496 9.218) 25.971 14.833 ( 15.274 4.701 -3.622) 16.386 14.954 ( 15.078 -6.453 -3.532) 16.777 16.080 ( -17.772 12.303 -4.796) 22.140 16.303 ( -16.093 -8.906 -6.636) 19.554 16.466 ( -9.586 5.133 -0.851) 10.907 16.566 ( -6.066 -4.303 5.737) 9.393 17.804 ( -0.463 0.684 12.366) 12.393 17.860 ( 0.876 -3.880 8.991) 9.832 18.399 ( 0.117 2.068 -7.505) 7.786 18.433 ( 3.127 -1.517 -6.995) 7.811 18.966 ( 7.381 3.709 7.837) 11.386 19.061 ( 8.309 -4.671 4.398) 10.497 19.877 ( -3.562 3.614 -0.579) 5.107 20.021 ( -2.598 -9.541 -11.982) 15.536 23.793 ( -2.324 6.457 22.895) 23.902 23.942 ( -3.142 -7.626 19.222) 20.916 24.283 ( 4.182 4.774 -25.596) 26.371 24.406 ( 3.051 -6.742 -25.703) 26.747 ======================= Grid point 223 (125/125) ======================= q-point: (-0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -1.855 8.643 2.882) 9.298 1.946 ( -3.206 11.684 -4.271) 12.846 2.051 ( 0.403 -9.605 4.681) 10.693 2.188 ( -1.052 -10.064 -2.777) 10.493 2.562 ( -0.962 5.083 -0.129) 5.175 2.630 ( -3.897 -1.025 -1.404) 4.267 2.758 ( 5.219 -0.981 3.685) 6.464 2.793 ( 3.339 -4.862 3.295) 6.756 3.102 ( -5.377 4.962 -3.724) 8.210 3.232 ( -7.275 -4.570 -3.411) 9.244 3.579 ( -4.380 -2.509 2.526) 5.644 3.617 ( -5.547 -2.263 3.286) 6.832 3.938 ( -4.134 6.588 6.714) 10.275 4.003 ( -0.523 -0.758 0.872) 1.268 4.206 ( -1.584 -1.134 -1.617) 2.531 4.241 ( -4.642 -4.376 3.309) 7.187 4.816 ( -2.707 8.469 6.166) 10.820 4.926 ( -2.629 -1.871 0.217) 3.234 5.011 ( -1.135 9.664 7.445) 12.251 5.214 ( -2.403 -7.772 3.379) 8.809 5.449 ( 2.399 8.808 -3.890) 9.923 5.587 ( 3.929 -2.408 -3.197) 5.609 5.619 ( -1.443 6.145 -7.420) 9.741 5.750 ( -0.289 -4.509 -8.355) 9.498 6.698 ( -3.384 2.179 3.491) 5.328 6.725 ( -3.996 0.068 3.932) 5.606 7.326 ( -5.494 -0.644 2.395) 6.028 7.346 ( -7.118 -1.928 3.741) 8.269 7.950 ( 6.282 0.705 3.089) 7.036 7.963 ( 7.486 -0.923 1.426) 7.677 8.426 ( -0.541 4.642 -4.408) 6.425 8.526 ( -1.076 -4.139 -8.818) 9.800 8.765 ( 4.318 9.319 5.302) 11.559 8.930 ( -0.034 -5.197 5.634) 7.665 9.243 ( -3.364 9.590 -1.209) 10.235 9.414 ( -1.106 -4.768 -9.077) 10.312 9.531 ( 0.499 -0.672 4.761) 4.834 9.597 ( 1.325 -4.793 0.731) 5.026 9.967 ( 0.665 3.497 2.276) 4.225 10.036 ( 0.573 -2.585 -2.946) 3.961 10.635 ( -1.618 5.607 3.997) 7.073 10.718 ( -2.845 -2.301 -0.403) 3.681 11.402 ( 14.101 7.296 11.942) 19.867 11.510 ( 12.322 -3.322 10.676) 16.639 11.985 ( -3.976 4.081 1.431) 5.875 12.045 ( -6.173 -1.313 -2.167) 6.673 12.237 ( 9.531 10.413 -8.760) 16.613 12.437 ( 3.816 -7.579 -12.124) 14.799 12.626 ( 2.423 3.848 5.613) 7.224 12.721 ( 5.635 -5.132 5.787) 9.570 13.185 ( -17.362 5.322 -4.064) 18.609 13.300 ( -14.855 -4.778 -1.868) 15.716 14.588 ( 23.030 8.370 9.118) 26.145 14.821 ( 20.112 -13.579 8.242) 25.628 15.089 ( 12.628 4.730 -5.445) 14.542 15.179 ( 7.232 -3.451 -0.171) 8.015 15.756 ( -12.529 9.723 -2.899) 16.122 15.951 ( -17.496 -8.857 -3.944) 20.003 16.252 ( -10.405 5.035 -3.081) 11.962 16.391 ( -13.025 -8.002 2.345) 15.465 17.845 ( 0.406 2.345 12.383) 12.610 17.900 ( 0.317 -2.574 8.498) 8.885 18.348 ( -2.140 3.280 -6.583) 7.660 18.408 ( -2.749 -2.588 -7.423) 8.328 19.176 ( 10.706 4.032 8.797) 14.431 19.289 ( 11.867 -6.437 7.381) 15.386 19.791 ( -4.534 3.916 -5.069) 7.847 19.919 ( -3.719 -8.096 -12.113) 15.036 23.813 ( -2.953 4.640 23.132) 23.777 23.932 ( -4.096 -6.526 20.165) 21.587 24.295 ( 5.172 3.213 -26.518) 27.208 24.388 ( 3.325 -5.562 -26.077) 26.870 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31752 10.0 141.183 182.060 319.056 0.000 105.349 0.000 3/31752 20.0 39.555 60.933 67.321 0.000 12.270 0.000 3/31752 30.0 19.776 31.286 35.285 0.000 4.002 0.000 3/31752 40.0 12.801 20.336 23.627 0.000 1.888 0.000 3/31752 50.0 9.416 15.010 17.786 0.000 1.071 0.000 3/31752 60.0 7.454 11.903 14.288 0.000 0.680 0.000 3/31752 70.0 6.178 9.859 11.939 0.000 0.468 0.000 3/31752 80.0 5.282 8.407 10.241 0.000 0.343 0.000 3/31752 90.0 4.621 7.321 8.956 0.000 0.264 0.000 3/31752 100.0 4.114 6.480 7.950 0.000 0.212 0.000 3/31752 110.0 3.713 5.811 7.143 0.000 0.177 0.000 3/31752 120.0 3.389 5.266 6.484 0.000 0.151 0.000 3/31752 130.0 3.122 4.815 5.936 0.000 0.133 0.000 3/31752 140.0 2.898 4.436 5.474 0.000 0.118 0.000 3/31752 150.0 2.707 4.113 5.081 0.000 0.107 0.000 3/31752 160.0 2.542 3.835 4.742 0.000 0.098 0.000 3/31752 170.0 2.398 3.593 4.448 0.000 0.090 0.000 3/31752 180.0 2.271 3.381 4.190 0.000 0.084 0.000 3/31752 190.0 2.158 3.193 3.962 0.000 0.078 0.000 3/31752 200.0 2.057 3.025 3.759 0.000 0.073 0.000 3/31752 210.0 1.965 2.875 3.578 0.000 0.068 0.000 3/31752 220.0 1.882 2.739 3.415 0.000 0.064 0.000 3/31752 230.0 1.806 2.616 3.267 0.000 0.060 0.000 3/31752 240.0 1.736 2.504 3.132 0.000 0.057 0.000 3/31752 250.0 1.671 2.401 3.009 0.000 0.054 0.000 3/31752 260.0 1.611 2.307 2.896 0.000 0.051 0.000 3/31752 270.0 1.556 2.220 2.792 0.000 0.048 0.000 3/31752 280.0 1.504 2.139 2.695 0.000 0.046 0.000 3/31752 290.0 1.456 2.065 2.606 0.000 0.044 0.000 3/31752 300.0 1.411 1.995 2.522 0.000 0.041 0.000 3/31752 310.0 1.368 1.930 2.445 0.000 0.039 0.000 3/31752 320.0 1.328 1.869 2.372 0.000 0.038 0.000 3/31752 330.0 1.290 1.812 2.303 0.000 0.036 0.000 3/31752 340.0 1.255 1.759 2.239 0.000 0.034 0.000 3/31752 350.0 1.221 1.708 2.178 0.000 0.033 0.000 3/31752 360.0 1.189 1.661 2.120 0.000 0.031 0.000 3/31752 370.0 1.159 1.616 2.066 0.000 0.030 0.000 3/31752 380.0 1.130 1.573 2.015 0.000 0.029 0.000 3/31752 390.0 1.103 1.533 1.966 0.000 0.028 0.000 3/31752 400.0 1.076 1.495 1.919 0.000 0.026 0.000 3/31752 410.0 1.052 1.458 1.875 0.000 0.025 0.000 3/31752 420.0 1.028 1.423 1.832 0.000 0.024 0.000 3/31752 430.0 1.005 1.390 1.792 0.000 0.024 0.000 3/31752 440.0 0.983 1.359 1.753 0.000 0.023 0.000 3/31752 450.0 0.962 1.329 1.716 0.000 0.022 0.000 3/31752 460.0 0.942 1.300 1.681 0.000 0.021 0.000 3/31752 470.0 0.923 1.272 1.647 0.000 0.020 0.000 3/31752 480.0 0.905 1.246 1.614 0.000 0.020 0.000 3/31752 490.0 0.887 1.221 1.583 0.000 0.019 0.000 3/31752 500.0 0.870 1.196 1.553 0.000 0.018 0.000 3/31752 510.0 0.853 1.173 1.524 0.000 0.018 0.000 3/31752 520.0 0.838 1.150 1.496 0.000 0.017 0.000 3/31752 530.0 0.822 1.129 1.469 0.000 0.017 0.000 3/31752 540.0 0.808 1.108 1.443 0.000 0.016 0.000 3/31752 550.0 0.793 1.088 1.418 0.000 0.016 0.000 3/31752 560.0 0.780 1.069 1.394 0.000 0.015 0.000 3/31752 570.0 0.767 1.050 1.370 0.000 0.015 0.000 3/31752 580.0 0.754 1.032 1.348 0.000 0.015 0.000 3/31752 590.0 0.741 1.015 1.326 0.000 0.014 0.000 3/31752 600.0 0.729 0.998 1.304 0.000 0.014 0.000 3/31752 610.0 0.718 0.981 1.284 0.000 0.013 0.000 3/31752 620.0 0.706 0.966 1.264 0.000 0.013 0.000 3/31752 630.0 0.696 0.950 1.245 0.000 0.013 0.000 3/31752 640.0 0.685 0.936 1.226 0.000 0.013 0.000 3/31752 650.0 0.675 0.921 1.208 0.000 0.012 0.000 3/31752 660.0 0.665 0.907 1.190 0.000 0.012 0.000 3/31752 670.0 0.655 0.894 1.173 0.000 0.012 0.000 3/31752 680.0 0.646 0.881 1.156 0.000 0.011 0.000 3/31752 690.0 0.637 0.868 1.140 0.000 0.011 0.000 3/31752 700.0 0.628 0.856 1.124 0.000 0.011 0.000 3/31752 710.0 0.619 0.844 1.109 0.000 0.011 0.000 3/31752 720.0 0.611 0.832 1.094 0.000 0.010 0.000 3/31752 730.0 0.602 0.821 1.080 0.000 0.010 0.000 3/31752 740.0 0.594 0.810 1.066 0.000 0.010 0.000 3/31752 750.0 0.587 0.799 1.052 0.000 0.010 0.000 3/31752 760.0 0.579 0.788 1.038 0.000 0.010 0.000 3/31752 770.0 0.572 0.778 1.025 0.000 0.010 0.000 3/31752 780.0 0.565 0.768 1.012 0.000 0.009 0.000 3/31752 790.0 0.558 0.759 1.000 0.000 0.009 0.000 3/31752 800.0 0.551 0.749 0.988 0.000 0.009 0.000 3/31752 810.0 0.544 0.740 0.976 0.000 0.009 0.000 3/31752 820.0 0.537 0.731 0.964 0.000 0.009 0.000 3/31752 830.0 0.531 0.722 0.953 0.000 0.009 0.000 3/31752 840.0 0.525 0.714 0.942 0.000 0.008 0.000 3/31752 850.0 0.519 0.705 0.931 0.000 0.008 0.000 3/31752 860.0 0.513 0.697 0.921 0.000 0.008 0.000 3/31752 870.0 0.507 0.689 0.910 0.000 0.008 0.000 3/31752 880.0 0.501 0.681 0.900 0.000 0.008 0.000 3/31752 890.0 0.496 0.674 0.890 0.000 0.008 0.000 3/31752 900.0 0.490 0.666 0.881 0.000 0.008 0.000 3/31752 910.0 0.485 0.659 0.871 0.000 0.008 0.000 3/31752 920.0 0.480 0.652 0.862 0.000 0.007 0.000 3/31752 930.0 0.475 0.645 0.853 0.000 0.007 0.000 3/31752 940.0 0.470 0.638 0.844 0.000 0.007 0.000 3/31752 950.0 0.465 0.631 0.835 0.000 0.007 0.000 3/31752 960.0 0.460 0.625 0.827 0.000 0.007 0.000 3/31752 970.0 0.456 0.618 0.818 0.000 0.007 0.000 3/31752 980.0 0.451 0.612 0.810 0.000 0.007 0.000 3/31752 990.0 0.446 0.606 0.802 0.000 0.007 0.000 3/31752 1000.0 0.442 0.600 0.794 0.000 0.007 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m797.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:06:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|