----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:27:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 5.050795650000000 0.000000000000000 c -0.702193923626115 0.000000000000000 7.517593198183362 Atomic positions (fractional): *1 Rb 0.00000000000000 0.18620466280355 0.75000000000000 85.468 2 Rb 0.00000000000000 0.81379533719645 0.25000000000000 85.468 *3 Lu 0.50000000000000 0.89978952080725 0.25000000000000 174.967 4 Lu 0.50000000000000 0.10021047919275 0.75000000000000 174.967 *5 S 0.71188521429660 0.32331923718716 0.15606849313190 32.065 6 S 0.71188521429660 0.67668076281284 0.65606849313190 32.065 7 S 0.28811478570340 0.67668076281284 0.84393150686810 32.065 8 S 0.28811478570340 0.32331923718716 0.34393150686810 32.065 *9 O 0.32925160590963 0.40196139595239 0.79826368216318 15.999 *10 O 0.85544211137107 0.68112578347463 0.57554309221024 15.999 *11 O 0.42033685842600 0.20495144405314 0.46207535760431 15.999 12 O 0.57966314157400 0.79504855594686 0.53792464239569 15.999 13 O 0.14455788862893 0.31887421652537 0.42445690778976 15.999 *14 O 0.28439088942551 0.14990385695265 0.18363783460218 15.999 15 O 0.85544211137107 0.31887421652537 0.07554309221024 15.999 16 O 0.71560911057449 0.85009614304735 0.81636216539782 15.999 17 O 0.32925160590963 0.59803860404761 0.29826368216318 15.999 18 O 0.42033685842600 0.79504855594686 0.96207535760431 15.999 19 O 0.57966314157400 0.20495144405314 0.03792464239569 15.999 20 O 0.67074839409037 0.59803860404761 0.20173631783682 15.999 21 O 0.71560911057449 0.14990385695265 0.31636216539782 15.999 22 O 0.28439088942551 0.85009614304735 0.68363783460218 15.999 23 O 0.67074839409037 0.40196139595239 0.70173631783682 15.999 24 O 0.14455788862893 0.68112578347463 0.92445690778976 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 5.050795650000000 0.000000000000000 c -0.702193923626115 0.000000000000000 7.517593198183362 Atomic positions (fractional): *1 Rb 0.00000000000000 0.18620466280355 0.75000000000000 85.468 > 1 2 Rb 0.00000000000000 0.81379533719645 0.25000000000000 85.468 > 2 *3 Lu 0.50000000000000 0.89978952080725 0.25000000000000 174.967 > 3 4 Lu 0.50000000000000 0.10021047919275 0.75000000000000 174.967 > 4 *5 S 0.71188521429660 0.32331923718716 0.15606849313190 32.065 > 5 6 S 0.71188521429660 0.67668076281284 0.65606849313190 32.065 > 6 7 S 0.28811478570340 0.67668076281284 0.84393150686810 32.065 > 7 8 S 0.28811478570340 0.32331923718716 0.34393150686810 32.065 > 8 *9 O 0.32925160590963 0.40196139595239 0.79826368216318 15.999 > 9 *10 O 0.85544211137107 0.68112578347463 0.57554309221024 15.999 > 10 *11 O 0.42033685842600 0.20495144405314 0.46207535760431 15.999 > 11 12 O 0.57966314157400 0.79504855594686 0.53792464239569 15.999 > 12 13 O 0.14455788862893 0.31887421652537 0.42445690778976 15.999 > 13 *14 O 0.28439088942551 0.14990385695265 0.18363783460218 15.999 > 14 15 O 0.85544211137107 0.31887421652537 0.07554309221024 15.999 > 15 16 O 0.71560911057449 0.85009614304735 0.81636216539782 15.999 > 16 17 O 0.32925160590963 0.59803860404761 0.29826368216318 15.999 > 17 18 O 0.42033685842600 0.79504855594686 0.96207535760431 15.999 > 18 19 O 0.57966314157400 0.20495144405314 0.03792464239569 15.999 > 19 20 O 0.67074839409037 0.59803860404761 0.20173631783682 15.999 > 20 21 O 0.71560911057449 0.14990385695265 0.31636216539782 15.999 > 21 22 O 0.28439088942551 0.85009614304735 0.68363783460218 15.999 > 22 23 O 0.67074839409037 0.40196139595239 0.70173631783682 15.999 > 23 24 O 0.14455788862893 0.68112578347463 0.92445690778976 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 10.101591300000001 0.000000000000000 c -1.404387847252230 0.000000000000000 15.035186396366724 Atomic positions (fractional): *1 Rb 0.00000000000000 0.09310233140177 0.37500000000000 85.468 > 1 2 Rb 0.00000000000000 0.59310233140178 0.37500000000000 85.468 > 1 3 Rb 0.00000000000000 0.09310233140177 0.87500000000000 85.468 > 1 4 Rb 0.00000000000000 0.59310233140178 0.87500000000000 85.468 > 1 5 Rb 0.00000000000000 0.40689766859823 0.12500000000000 85.468 > 2 6 Rb 0.00000000000000 0.90689766859823 0.12500000000000 85.468 > 2 7 Rb 0.00000000000000 0.40689766859823 0.62500000000000 85.468 > 2 8 Rb 0.00000000000000 0.90689766859823 0.62500000000000 85.468 > 2 *9 Lu 0.50000000000000 0.44989476040362 0.12500000000000 174.967 > 3 10 Lu 0.50000000000000 0.94989476040362 0.12500000000000 174.967 > 3 11 Lu 0.50000000000000 0.44989476040362 0.62500000000000 174.967 > 3 12 Lu 0.50000000000000 0.94989476040362 0.62500000000000 174.967 > 3 13 Lu 0.50000000000000 0.05010523959638 0.37500000000000 174.967 > 4 14 Lu 0.50000000000000 0.55010523959638 0.37500000000000 174.967 > 4 15 Lu 0.50000000000000 0.05010523959638 0.87500000000000 174.967 > 4 16 Lu 0.50000000000000 0.55010523959638 0.87500000000000 174.967 > 4 *17 S 0.71188521429660 0.16165961859358 0.07803424656595 32.065 > 5 18 S 0.71188521429660 0.66165961859358 0.07803424656595 32.065 > 5 19 S 0.71188521429660 0.16165961859358 0.57803424656595 32.065 > 5 20 S 0.71188521429660 0.66165961859358 0.57803424656595 32.065 > 5 21 S 0.71188521429660 0.33834038140642 0.32803424656595 32.065 > 6 22 S 0.71188521429660 0.83834038140642 0.32803424656595 32.065 > 6 23 S 0.71188521429660 0.33834038140642 0.82803424656595 32.065 > 6 24 S 0.71188521429660 0.83834038140642 0.82803424656595 32.065 > 6 25 S 0.28811478570340 0.33834038140642 0.42196575343405 32.065 > 7 26 S 0.28811478570340 0.83834038140642 0.42196575343405 32.065 > 7 27 S 0.28811478570340 0.33834038140642 0.92196575343405 32.065 > 7 28 S 0.28811478570340 0.83834038140642 0.92196575343405 32.065 > 7 29 S 0.28811478570340 0.16165961859358 0.17196575343405 32.065 > 8 30 S 0.28811478570340 0.66165961859358 0.17196575343405 32.065 > 8 31 S 0.28811478570340 0.16165961859358 0.67196575343405 32.065 > 8 32 S 0.28811478570340 0.66165961859358 0.67196575343405 32.065 > 8 *33 O 0.32925160590963 0.20098069797619 0.39913184108159 15.999 > 9 34 O 0.32925160590963 0.70098069797619 0.39913184108159 15.999 > 9 35 O 0.32925160590963 0.20098069797619 0.89913184108159 15.999 > 9 36 O 0.32925160590963 0.70098069797619 0.89913184108159 15.999 > 9 *37 O 0.85544211137107 0.34056289173731 0.28777154610512 15.999 > 10 38 O 0.85544211137107 0.84056289173731 0.28777154610512 15.999 > 10 39 O 0.85544211137107 0.34056289173731 0.78777154610512 15.999 > 10 40 O 0.85544211137107 0.84056289173731 0.78777154610512 15.999 > 10 *41 O 0.42033685842600 0.10247572202657 0.23103767880216 15.999 > 11 42 O 0.42033685842600 0.60247572202657 0.23103767880216 15.999 > 11 43 O 0.42033685842600 0.10247572202657 0.73103767880215 15.999 > 11 44 O 0.42033685842600 0.60247572202657 0.73103767880215 15.999 > 11 45 O 0.57966314157400 0.39752427797343 0.26896232119785 15.999 > 12 46 O 0.57966314157400 0.89752427797343 0.26896232119785 15.999 > 12 47 O 0.57966314157400 0.39752427797343 0.76896232119785 15.999 > 12 48 O 0.57966314157400 0.89752427797343 0.76896232119785 15.999 > 12 49 O 0.14455788862893 0.15943710826269 0.21222845389488 15.999 > 13 50 O 0.14455788862893 0.65943710826269 0.21222845389488 15.999 > 13 51 O 0.14455788862893 0.15943710826269 0.71222845389488 15.999 > 13 52 O 0.14455788862893 0.65943710826269 0.71222845389488 15.999 > 13 *53 O 0.28439088942551 0.07495192847633 0.09181891730109 15.999 > 14 54 O 0.28439088942551 0.57495192847633 0.09181891730109 15.999 > 14 55 O 0.28439088942551 0.07495192847633 0.59181891730109 15.999 > 14 56 O 0.28439088942551 0.57495192847633 0.59181891730109 15.999 > 14 57 O 0.85544211137107 0.15943710826269 0.03777154610512 15.999 > 15 58 O 0.85544211137107 0.65943710826269 0.03777154610512 15.999 > 15 59 O 0.85544211137107 0.15943710826269 0.53777154610512 15.999 > 15 60 O 0.85544211137107 0.65943710826269 0.53777154610512 15.999 > 15 61 O 0.71560911057449 0.42504807152367 0.40818108269891 15.999 > 16 62 O 0.71560911057449 0.92504807152367 0.40818108269891 15.999 > 16 63 O 0.71560911057449 0.42504807152367 0.90818108269891 15.999 > 16 64 O 0.71560911057449 0.92504807152367 0.90818108269891 15.999 > 16 65 O 0.32925160590963 0.29901930202381 0.14913184108159 15.999 > 17 66 O 0.32925160590963 0.79901930202381 0.14913184108159 15.999 > 17 67 O 0.32925160590963 0.29901930202381 0.64913184108159 15.999 > 17 68 O 0.32925160590963 0.79901930202381 0.64913184108159 15.999 > 17 69 O 0.42033685842600 0.39752427797343 0.48103767880215 15.999 > 18 70 O 0.42033685842600 0.89752427797343 0.48103767880215 15.999 > 18 71 O 0.42033685842600 0.39752427797343 0.98103767880215 15.999 > 18 72 O 0.42033685842600 0.89752427797343 0.98103767880215 15.999 > 18 73 O 0.57966314157400 0.10247572202657 0.01896232119785 15.999 > 19 74 O 0.57966314157400 0.60247572202657 0.01896232119785 15.999 > 19 75 O 0.57966314157400 0.10247572202657 0.51896232119785 15.999 > 19 76 O 0.57966314157400 0.60247572202657 0.51896232119785 15.999 > 19 77 O 0.67074839409037 0.29901930202381 0.10086815891841 15.999 > 20 78 O 0.67074839409037 0.79901930202381 0.10086815891841 15.999 > 20 79 O 0.67074839409037 0.29901930202381 0.60086815891841 15.999 > 20 80 O 0.67074839409037 0.79901930202381 0.60086815891841 15.999 > 20 81 O 0.71560911057449 0.07495192847633 0.15818108269891 15.999 > 21 82 O 0.71560911057449 0.57495192847633 0.15818108269891 15.999 > 21 83 O 0.71560911057449 0.07495192847633 0.65818108269891 15.999 > 21 84 O 0.71560911057449 0.57495192847633 0.65818108269891 15.999 > 21 85 O 0.28439088942551 0.42504807152367 0.34181891730109 15.999 > 22 86 O 0.28439088942551 0.92504807152367 0.34181891730109 15.999 > 22 87 O 0.28439088942551 0.42504807152367 0.84181891730109 15.999 > 22 88 O 0.28439088942551 0.92504807152367 0.84181891730109 15.999 > 22 89 O 0.67074839409037 0.20098069797619 0.35086815891841 15.999 > 23 90 O 0.67074839409037 0.70098069797619 0.35086815891841 15.999 > 23 91 O 0.67074839409037 0.20098069797619 0.85086815891841 15.999 > 23 92 O 0.67074839409037 0.70098069797619 0.85086815891841 15.999 > 23 93 O 0.14455788862893 0.34056289173731 0.46222845389488 15.999 > 24 94 O 0.14455788862893 0.84056289173731 0.46222845389488 15.999 > 24 95 O 0.14455788862893 0.34056289173731 0.96222845389488 15.999 > 24 96 O 0.14455788862893 0.84056289173731 0.96222845389488 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6629671 0.0000000 -0.0575800 0.0000000 2.8144775 0.0000000 -0.0575812 0.0000000 2.5764889 -------------------------- Born effective charges -------------------------- 1 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 2 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 3 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 4 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 5 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 6 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 7 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 8 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 9 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 10 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 11 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 12 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 13 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 14 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 15 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 16 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 17 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 18 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 19 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 20 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 21 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 22 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 23 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 24 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 ---------------------------------------------------------------------------- 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: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 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: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 241 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 241 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 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: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.884 Solver_block: 200 / 720 - Time: 0.799 Solver_block: 300 / 720 - Time: 0.799 Solver_block: 400 / 720 - Time: 0.802 Solver_block: 500 / 720 - Time: 0.799 Solver_block: 600 / 720 - Time: 0.800 Solver_block: 700 / 720 - Time: 0.808 Solver_block: 720 / 720 - Time: 0.267 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.066 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 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: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 241 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 241 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 61 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 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: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 61), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:27:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:27:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 5.050795650000000 0.000000000000000 c -0.702193923626115 0.000000000000000 7.517593198183362 Atomic positions (fractional): 1 Rb 0.00000000000000 0.18620466280355 0.75000000000000 85.468 2 Rb 0.00000000000000 0.81379533719645 0.25000000000000 85.468 3 Lu 0.50000000000000 0.89978952080725 0.25000000000000 174.967 4 Lu 0.50000000000000 0.10021047919275 0.75000000000000 174.967 5 S 0.71188521429660 0.32331923718716 0.15606849313190 32.065 6 S 0.71188521429660 0.67668076281284 0.65606849313190 32.065 7 S 0.28811478570340 0.67668076281284 0.84393150686810 32.065 8 S 0.28811478570340 0.32331923718716 0.34393150686810 32.065 9 O 0.32925160590963 0.40196139595239 0.79826368216318 15.999 10 O 0.85544211137107 0.68112578347463 0.57554309221024 15.999 11 O 0.42033685842600 0.20495144405314 0.46207535760431 15.999 12 O 0.57966314157400 0.79504855594686 0.53792464239569 15.999 13 O 0.14455788862893 0.31887421652537 0.42445690778976 15.999 14 O 0.28439088942551 0.14990385695265 0.18363783460218 15.999 15 O 0.85544211137107 0.31887421652537 0.07554309221024 15.999 16 O 0.71560911057449 0.85009614304735 0.81636216539782 15.999 17 O 0.32925160590963 0.59803860404761 0.29826368216318 15.999 18 O 0.42033685842600 0.79504855594686 0.96207535760431 15.999 19 O 0.57966314157400 0.20495144405314 0.03792464239569 15.999 20 O 0.67074839409037 0.59803860404761 0.20173631783682 15.999 21 O 0.71560911057449 0.14990385695265 0.31636216539782 15.999 22 O 0.28439088942551 0.85009614304735 0.68363783460218 15.999 23 O 0.67074839409037 0.40196139595239 0.70173631783682 15.999 24 O 0.14455788862893 0.68112578347463 0.92445690778976 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 10.101591300000001 0.000000000000000 c -1.404387847252230 0.000000000000000 15.035186396366724 Atomic positions (fractional): 1 Rb 0.00000000000000 0.09310233140177 0.37500000000000 85.468 > 1 2 Rb 0.00000000000000 0.59310233140178 0.37500000000000 85.468 > 1 3 Rb 0.00000000000000 0.09310233140177 0.87500000000000 85.468 > 1 4 Rb 0.00000000000000 0.59310233140178 0.87500000000000 85.468 > 1 5 Rb 0.00000000000000 0.40689766859823 0.12500000000000 85.468 > 5 6 Rb 0.00000000000000 0.90689766859823 0.12500000000000 85.468 > 5 7 Rb 0.00000000000000 0.40689766859823 0.62500000000000 85.468 > 5 8 Rb 0.00000000000000 0.90689766859823 0.62500000000000 85.468 > 5 9 Lu 0.50000000000000 0.44989476040362 0.12500000000000 174.967 > 9 10 Lu 0.50000000000000 0.94989476040362 0.12500000000000 174.967 > 9 11 Lu 0.50000000000000 0.44989476040362 0.62500000000000 174.967 > 9 12 Lu 0.50000000000000 0.94989476040362 0.62500000000000 174.967 > 9 13 Lu 0.50000000000000 0.05010523959638 0.37500000000000 174.967 > 13 14 Lu 0.50000000000000 0.55010523959638 0.37500000000000 174.967 > 13 15 Lu 0.50000000000000 0.05010523959638 0.87500000000000 174.967 > 13 16 Lu 0.50000000000000 0.55010523959638 0.87500000000000 174.967 > 13 17 S 0.71188521429660 0.16165961859358 0.07803424656595 32.065 > 17 18 S 0.71188521429660 0.66165961859358 0.07803424656595 32.065 > 17 19 S 0.71188521429660 0.16165961859358 0.57803424656595 32.065 > 17 20 S 0.71188521429660 0.66165961859358 0.57803424656595 32.065 > 17 21 S 0.71188521429660 0.33834038140642 0.32803424656595 32.065 > 21 22 S 0.71188521429660 0.83834038140642 0.32803424656595 32.065 > 21 23 S 0.71188521429660 0.33834038140642 0.82803424656595 32.065 > 21 24 S 0.71188521429660 0.83834038140642 0.82803424656595 32.065 > 21 25 S 0.28811478570340 0.33834038140642 0.42196575343405 32.065 > 25 26 S 0.28811478570340 0.83834038140642 0.42196575343405 32.065 > 25 27 S 0.28811478570340 0.33834038140642 0.92196575343405 32.065 > 25 28 S 0.28811478570340 0.83834038140642 0.92196575343405 32.065 > 25 29 S 0.28811478570340 0.16165961859358 0.17196575343405 32.065 > 29 30 S 0.28811478570340 0.66165961859358 0.17196575343405 32.065 > 29 31 S 0.28811478570340 0.16165961859358 0.67196575343405 32.065 > 29 32 S 0.28811478570340 0.66165961859358 0.67196575343405 32.065 > 29 33 O 0.32925160590963 0.20098069797619 0.39913184108159 15.999 > 33 34 O 0.32925160590963 0.70098069797619 0.39913184108159 15.999 > 33 35 O 0.32925160590963 0.20098069797619 0.89913184108159 15.999 > 33 36 O 0.32925160590963 0.70098069797619 0.89913184108159 15.999 > 33 37 O 0.85544211137107 0.34056289173731 0.28777154610512 15.999 > 37 38 O 0.85544211137107 0.84056289173731 0.28777154610512 15.999 > 37 39 O 0.85544211137107 0.34056289173731 0.78777154610512 15.999 > 37 40 O 0.85544211137107 0.84056289173731 0.78777154610512 15.999 > 37 41 O 0.42033685842600 0.10247572202657 0.23103767880216 15.999 > 41 42 O 0.42033685842600 0.60247572202657 0.23103767880216 15.999 > 41 43 O 0.42033685842600 0.10247572202657 0.73103767880215 15.999 > 41 44 O 0.42033685842600 0.60247572202657 0.73103767880215 15.999 > 41 45 O 0.57966314157400 0.39752427797343 0.26896232119785 15.999 > 45 46 O 0.57966314157400 0.89752427797343 0.26896232119785 15.999 > 45 47 O 0.57966314157400 0.39752427797343 0.76896232119785 15.999 > 45 48 O 0.57966314157400 0.89752427797343 0.76896232119785 15.999 > 45 49 O 0.14455788862893 0.15943710826269 0.21222845389488 15.999 > 49 50 O 0.14455788862893 0.65943710826269 0.21222845389488 15.999 > 49 51 O 0.14455788862893 0.15943710826269 0.71222845389488 15.999 > 49 52 O 0.14455788862893 0.65943710826269 0.71222845389488 15.999 > 49 53 O 0.28439088942551 0.07495192847633 0.09181891730109 15.999 > 53 54 O 0.28439088942551 0.57495192847633 0.09181891730109 15.999 > 53 55 O 0.28439088942551 0.07495192847633 0.59181891730109 15.999 > 53 56 O 0.28439088942551 0.57495192847633 0.59181891730109 15.999 > 53 57 O 0.85544211137107 0.15943710826269 0.03777154610512 15.999 > 57 58 O 0.85544211137107 0.65943710826269 0.03777154610512 15.999 > 57 59 O 0.85544211137107 0.15943710826269 0.53777154610512 15.999 > 57 60 O 0.85544211137107 0.65943710826269 0.53777154610512 15.999 > 57 61 O 0.71560911057449 0.42504807152367 0.40818108269891 15.999 > 61 62 O 0.71560911057449 0.92504807152367 0.40818108269891 15.999 > 61 63 O 0.71560911057449 0.42504807152367 0.90818108269891 15.999 > 61 64 O 0.71560911057449 0.92504807152367 0.90818108269891 15.999 > 61 65 O 0.32925160590963 0.29901930202381 0.14913184108159 15.999 > 65 66 O 0.32925160590963 0.79901930202381 0.14913184108159 15.999 > 65 67 O 0.32925160590963 0.29901930202381 0.64913184108159 15.999 > 65 68 O 0.32925160590963 0.79901930202381 0.64913184108159 15.999 > 65 69 O 0.42033685842600 0.39752427797343 0.48103767880215 15.999 > 69 70 O 0.42033685842600 0.89752427797343 0.48103767880215 15.999 > 69 71 O 0.42033685842600 0.39752427797343 0.98103767880215 15.999 > 69 72 O 0.42033685842600 0.89752427797343 0.98103767880215 15.999 > 69 73 O 0.57966314157400 0.10247572202657 0.01896232119785 15.999 > 73 74 O 0.57966314157400 0.60247572202657 0.01896232119785 15.999 > 73 75 O 0.57966314157400 0.10247572202657 0.51896232119785 15.999 > 73 76 O 0.57966314157400 0.60247572202657 0.51896232119785 15.999 > 73 77 O 0.67074839409037 0.29901930202381 0.10086815891841 15.999 > 77 78 O 0.67074839409037 0.79901930202381 0.10086815891841 15.999 > 77 79 O 0.67074839409037 0.29901930202381 0.60086815891841 15.999 > 77 80 O 0.67074839409037 0.79901930202381 0.60086815891841 15.999 > 77 81 O 0.71560911057449 0.07495192847633 0.15818108269891 15.999 > 81 82 O 0.71560911057449 0.57495192847633 0.15818108269891 15.999 > 81 83 O 0.71560911057449 0.07495192847633 0.65818108269891 15.999 > 81 84 O 0.71560911057449 0.57495192847633 0.65818108269891 15.999 > 81 85 O 0.28439088942551 0.42504807152367 0.34181891730109 15.999 > 85 86 O 0.28439088942551 0.92504807152367 0.34181891730109 15.999 > 85 87 O 0.28439088942551 0.42504807152367 0.84181891730109 15.999 > 85 88 O 0.28439088942551 0.92504807152367 0.84181891730109 15.999 > 85 89 O 0.67074839409037 0.20098069797619 0.35086815891841 15.999 > 89 90 O 0.67074839409037 0.70098069797619 0.35086815891841 15.999 > 89 91 O 0.67074839409037 0.20098069797619 0.85086815891841 15.999 > 89 92 O 0.67074839409037 0.70098069797619 0.85086815891841 15.999 > 89 93 O 0.14455788862893 0.34056289173731 0.46222845389488 15.999 > 93 94 O 0.14455788862893 0.84056289173731 0.46222845389488 15.999 > 93 95 O 0.14455788862893 0.34056289173731 0.96222845389488 15.999 > 93 96 O 0.14455788862893 0.84056289173731 0.96222845389488 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6629671 0.0000000 -0.0575800 0.0000000 2.8144775 0.0000000 -0.0575812 0.0000000 2.5764889 -------------------------- Born effective charges -------------------------- 1 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 2 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 3 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 4 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 5 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 6 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 7 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 8 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 9 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 10 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 11 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 12 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 13 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 14 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 15 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 16 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 17 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 18 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 19 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 20 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 21 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 22 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 23 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 24 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 ---------------------------------------------------------------------------- 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000038 (yyy) -0.00000038 (yyy) -0.00000038 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:28:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:28:23]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 5.050795650000000 0.000000000000000 c -0.702193923626115 0.000000000000000 7.517593198183362 Atomic positions (fractional): 1 Rb 0.00000000000000 0.18620466280355 0.75000000000000 85.468 2 Rb 0.00000000000000 0.81379533719645 0.25000000000000 85.468 3 Lu 0.50000000000000 0.89978952080725 0.25000000000000 174.967 4 Lu 0.50000000000000 0.10021047919275 0.75000000000000 174.967 5 S 0.71188521429660 0.32331923718716 0.15606849313190 32.065 6 S 0.71188521429660 0.67668076281284 0.65606849313190 32.065 7 S 0.28811478570340 0.67668076281284 0.84393150686810 32.065 8 S 0.28811478570340 0.32331923718716 0.34393150686810 32.065 9 O 0.32925160590963 0.40196139595239 0.79826368216318 15.999 10 O 0.85544211137107 0.68112578347463 0.57554309221024 15.999 11 O 0.42033685842600 0.20495144405314 0.46207535760431 15.999 12 O 0.57966314157400 0.79504855594686 0.53792464239569 15.999 13 O 0.14455788862893 0.31887421652537 0.42445690778976 15.999 14 O 0.28439088942551 0.14990385695265 0.18363783460218 15.999 15 O 0.85544211137107 0.31887421652537 0.07554309221024 15.999 16 O 0.71560911057449 0.85009614304735 0.81636216539782 15.999 17 O 0.32925160590963 0.59803860404761 0.29826368216318 15.999 18 O 0.42033685842600 0.79504855594686 0.96207535760431 15.999 19 O 0.57966314157400 0.20495144405314 0.03792464239569 15.999 20 O 0.67074839409037 0.59803860404761 0.20173631783682 15.999 21 O 0.71560911057449 0.14990385695265 0.31636216539782 15.999 22 O 0.28439088942551 0.85009614304735 0.68363783460218 15.999 23 O 0.67074839409037 0.40196139595239 0.70173631783682 15.999 24 O 0.14455788862893 0.68112578347463 0.92445690778976 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.784090520250961 0.000000000000000 0.000000000000000 b 0.000000000000000 10.101591300000001 0.000000000000000 c -1.404387847252230 0.000000000000000 15.035186396366724 Atomic positions (fractional): 1 Rb 0.00000000000000 0.09310233140177 0.37500000000000 85.468 > 1 2 Rb 0.00000000000000 0.59310233140178 0.37500000000000 85.468 > 1 3 Rb 0.00000000000000 0.09310233140177 0.87500000000000 85.468 > 1 4 Rb 0.00000000000000 0.59310233140178 0.87500000000000 85.468 > 1 5 Rb 0.00000000000000 0.40689766859823 0.12500000000000 85.468 > 5 6 Rb 0.00000000000000 0.90689766859823 0.12500000000000 85.468 > 5 7 Rb 0.00000000000000 0.40689766859823 0.62500000000000 85.468 > 5 8 Rb 0.00000000000000 0.90689766859823 0.62500000000000 85.468 > 5 9 Lu 0.50000000000000 0.44989476040362 0.12500000000000 174.967 > 9 10 Lu 0.50000000000000 0.94989476040362 0.12500000000000 174.967 > 9 11 Lu 0.50000000000000 0.44989476040362 0.62500000000000 174.967 > 9 12 Lu 0.50000000000000 0.94989476040362 0.62500000000000 174.967 > 9 13 Lu 0.50000000000000 0.05010523959638 0.37500000000000 174.967 > 13 14 Lu 0.50000000000000 0.55010523959638 0.37500000000000 174.967 > 13 15 Lu 0.50000000000000 0.05010523959638 0.87500000000000 174.967 > 13 16 Lu 0.50000000000000 0.55010523959638 0.87500000000000 174.967 > 13 17 S 0.71188521429660 0.16165961859358 0.07803424656595 32.065 > 17 18 S 0.71188521429660 0.66165961859358 0.07803424656595 32.065 > 17 19 S 0.71188521429660 0.16165961859358 0.57803424656595 32.065 > 17 20 S 0.71188521429660 0.66165961859358 0.57803424656595 32.065 > 17 21 S 0.71188521429660 0.33834038140642 0.32803424656595 32.065 > 21 22 S 0.71188521429660 0.83834038140642 0.32803424656595 32.065 > 21 23 S 0.71188521429660 0.33834038140642 0.82803424656595 32.065 > 21 24 S 0.71188521429660 0.83834038140642 0.82803424656595 32.065 > 21 25 S 0.28811478570340 0.33834038140642 0.42196575343405 32.065 > 25 26 S 0.28811478570340 0.83834038140642 0.42196575343405 32.065 > 25 27 S 0.28811478570340 0.33834038140642 0.92196575343405 32.065 > 25 28 S 0.28811478570340 0.83834038140642 0.92196575343405 32.065 > 25 29 S 0.28811478570340 0.16165961859358 0.17196575343405 32.065 > 29 30 S 0.28811478570340 0.66165961859358 0.17196575343405 32.065 > 29 31 S 0.28811478570340 0.16165961859358 0.67196575343405 32.065 > 29 32 S 0.28811478570340 0.66165961859358 0.67196575343405 32.065 > 29 33 O 0.32925160590963 0.20098069797619 0.39913184108159 15.999 > 33 34 O 0.32925160590963 0.70098069797619 0.39913184108159 15.999 > 33 35 O 0.32925160590963 0.20098069797619 0.89913184108159 15.999 > 33 36 O 0.32925160590963 0.70098069797619 0.89913184108159 15.999 > 33 37 O 0.85544211137107 0.34056289173731 0.28777154610512 15.999 > 37 38 O 0.85544211137107 0.84056289173731 0.28777154610512 15.999 > 37 39 O 0.85544211137107 0.34056289173731 0.78777154610512 15.999 > 37 40 O 0.85544211137107 0.84056289173731 0.78777154610512 15.999 > 37 41 O 0.42033685842600 0.10247572202657 0.23103767880216 15.999 > 41 42 O 0.42033685842600 0.60247572202657 0.23103767880216 15.999 > 41 43 O 0.42033685842600 0.10247572202657 0.73103767880215 15.999 > 41 44 O 0.42033685842600 0.60247572202657 0.73103767880215 15.999 > 41 45 O 0.57966314157400 0.39752427797343 0.26896232119785 15.999 > 45 46 O 0.57966314157400 0.89752427797343 0.26896232119785 15.999 > 45 47 O 0.57966314157400 0.39752427797343 0.76896232119785 15.999 > 45 48 O 0.57966314157400 0.89752427797343 0.76896232119785 15.999 > 45 49 O 0.14455788862893 0.15943710826269 0.21222845389488 15.999 > 49 50 O 0.14455788862893 0.65943710826269 0.21222845389488 15.999 > 49 51 O 0.14455788862893 0.15943710826269 0.71222845389488 15.999 > 49 52 O 0.14455788862893 0.65943710826269 0.71222845389488 15.999 > 49 53 O 0.28439088942551 0.07495192847633 0.09181891730109 15.999 > 53 54 O 0.28439088942551 0.57495192847633 0.09181891730109 15.999 > 53 55 O 0.28439088942551 0.07495192847633 0.59181891730109 15.999 > 53 56 O 0.28439088942551 0.57495192847633 0.59181891730109 15.999 > 53 57 O 0.85544211137107 0.15943710826269 0.03777154610512 15.999 > 57 58 O 0.85544211137107 0.65943710826269 0.03777154610512 15.999 > 57 59 O 0.85544211137107 0.15943710826269 0.53777154610512 15.999 > 57 60 O 0.85544211137107 0.65943710826269 0.53777154610512 15.999 > 57 61 O 0.71560911057449 0.42504807152367 0.40818108269891 15.999 > 61 62 O 0.71560911057449 0.92504807152367 0.40818108269891 15.999 > 61 63 O 0.71560911057449 0.42504807152367 0.90818108269891 15.999 > 61 64 O 0.71560911057449 0.92504807152367 0.90818108269891 15.999 > 61 65 O 0.32925160590963 0.29901930202381 0.14913184108159 15.999 > 65 66 O 0.32925160590963 0.79901930202381 0.14913184108159 15.999 > 65 67 O 0.32925160590963 0.29901930202381 0.64913184108159 15.999 > 65 68 O 0.32925160590963 0.79901930202381 0.64913184108159 15.999 > 65 69 O 0.42033685842600 0.39752427797343 0.48103767880215 15.999 > 69 70 O 0.42033685842600 0.89752427797343 0.48103767880215 15.999 > 69 71 O 0.42033685842600 0.39752427797343 0.98103767880215 15.999 > 69 72 O 0.42033685842600 0.89752427797343 0.98103767880215 15.999 > 69 73 O 0.57966314157400 0.10247572202657 0.01896232119785 15.999 > 73 74 O 0.57966314157400 0.60247572202657 0.01896232119785 15.999 > 73 75 O 0.57966314157400 0.10247572202657 0.51896232119785 15.999 > 73 76 O 0.57966314157400 0.60247572202657 0.51896232119785 15.999 > 73 77 O 0.67074839409037 0.29901930202381 0.10086815891841 15.999 > 77 78 O 0.67074839409037 0.79901930202381 0.10086815891841 15.999 > 77 79 O 0.67074839409037 0.29901930202381 0.60086815891841 15.999 > 77 80 O 0.67074839409037 0.79901930202381 0.60086815891841 15.999 > 77 81 O 0.71560911057449 0.07495192847633 0.15818108269891 15.999 > 81 82 O 0.71560911057449 0.57495192847633 0.15818108269891 15.999 > 81 83 O 0.71560911057449 0.07495192847633 0.65818108269891 15.999 > 81 84 O 0.71560911057449 0.57495192847633 0.65818108269891 15.999 > 81 85 O 0.28439088942551 0.42504807152367 0.34181891730109 15.999 > 85 86 O 0.28439088942551 0.92504807152367 0.34181891730109 15.999 > 85 87 O 0.28439088942551 0.42504807152367 0.84181891730109 15.999 > 85 88 O 0.28439088942551 0.92504807152367 0.84181891730109 15.999 > 85 89 O 0.67074839409037 0.20098069797619 0.35086815891841 15.999 > 89 90 O 0.67074839409037 0.70098069797619 0.35086815891841 15.999 > 89 91 O 0.67074839409037 0.20098069797619 0.85086815891841 15.999 > 89 92 O 0.67074839409037 0.70098069797619 0.85086815891841 15.999 > 89 93 O 0.14455788862893 0.34056289173731 0.46222845389488 15.999 > 93 94 O 0.14455788862893 0.84056289173731 0.46222845389488 15.999 > 93 95 O 0.14455788862893 0.34056289173731 0.96222845389488 15.999 > 93 96 O 0.14455788862893 0.84056289173731 0.96222845389488 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6629671 0.0000000 -0.0575800 0.0000000 2.8144775 0.0000000 -0.0575812 0.0000000 2.5764889 -------------------------- Born effective charges -------------------------- 1 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 2 Rb 1.6030086 0.0000000 -0.0491234 -0.0000000 1.2660019 0.0000000 0.0366281 -0.0000000 1.1552620 3 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 4 Lu 3.2959393 0.0000000 0.0080263 -0.0000000 4.3411802 0.0000000 -0.4980599 -0.0000000 3.7130630 5 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 6 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 7 S 3.3883997 0.0089446 -0.3109635 0.2038886 4.0100000 0.0243466 0.0611924 0.2319529 3.0474923 8 S 3.3883997 -0.0089446 -0.3109635 -0.2038886 4.0100000 -0.0243466 0.0611924 -0.2319529 3.0474923 9 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 10 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 11 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 12 O -1.4468914 0.5141761 -0.3849140 0.5894405 -1.4467402 0.1659532 -0.5284404 0.3106320 -2.0379962 13 O -1.8501493 -0.0316673 0.4414747 0.0131076 -1.0266335 -0.0048212 0.3575614 0.0444261 -1.0415859 14 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 15 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 16 O -1.2243396 0.2277607 0.0746411 0.3860809 -1.6354118 -0.4570825 0.1169417 -0.4868861 -1.4254263 17 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 18 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 19 O -1.4468914 -0.5141761 -0.3849140 -0.5894405 -1.4467402 -0.1659532 -0.5284404 -0.3106320 -2.0379962 20 O -1.3164933 0.6197364 0.2003102 0.8197733 -2.7048055 -0.4557657 0.2234608 -0.4569972 -0.9766463 21 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 22 O -1.2243396 -0.2277607 0.0746411 -0.3860809 -1.6354118 0.4570825 0.1169417 0.4868861 -1.4254263 23 O -1.3164933 -0.6197364 0.2003102 -0.8197733 -2.7048055 0.4557657 0.2234608 0.4569972 -0.9766463 24 O -1.8501493 0.0316673 0.4414747 -0.0131076 -1.0266335 0.0048212 0.3575614 -0.0444261 -1.0415859 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000038 (yyy) -0.00000038 (yyy) -0.00000038 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 6 10 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: 0.60, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/132) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 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 1.587 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 11.825 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.317 ( 0.000 0.000 0.000) 0.000 14.026 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.197 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 16.813 ( 0.000 0.000 0.000) 0.000 16.997 ( 0.000 0.000 0.000) 0.000 17.142 ( 0.000 0.000 0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 17.712 ( 0.000 0.000 0.000) 0.000 19.142 ( 0.000 0.000 0.000) 0.000 19.268 ( 0.000 0.000 0.000) 0.000 19.654 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 28.346 ( 0.000 0.000 0.000) 0.000 28.365 ( 0.000 0.000 0.000) 0.000 28.622 ( 0.000 0.000 0.000) 0.000 29.070 ( 0.000 0.000 0.000) 0.000 29.714 ( 0.000 0.000 0.000) 0.000 29.726 ( 0.000 0.000 0.000) 0.000 30.391 ( 0.000 0.000 0.000) 0.000 30.783 ( 0.000 0.000 0.000) 0.000 31.721 ( 0.000 0.000 0.000) 0.000 31.762 ( 0.000 0.000 0.000) 0.000 31.906 ( 0.000 0.000 0.000) 0.000 32.165 ( 0.000 0.000 0.000) 0.000 35.215 ( 0.000 0.000 0.000) 0.000 35.871 ( 0.000 0.000 0.000) 0.000 36.093 ( 0.000 0.000 0.000) 0.000 36.998 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/132) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 21.473 0.000 1.761) 21.545 0.585 ( 29.141 0.000 2.127) 29.219 0.668 ( 33.089 0.000 6.233) 33.671 1.557 ( -3.934 0.000 4.607) 6.058 1.921 ( 8.445 0.000 -2.638) 8.848 2.070 ( 4.173 0.000 -1.425) 4.410 2.298 ( -5.770 0.000 -0.988) 5.854 2.412 ( -2.311 0.000 1.981) 3.043 2.590 ( -3.656 0.000 0.100) 3.658 2.692 ( -0.490 0.000 4.234) 4.262 3.185 ( -0.933 0.000 -0.516) 1.066 3.261 ( -1.750 0.000 -1.815) 2.522 3.432 ( -11.366 0.000 6.530) 13.109 3.691 ( 0.953 0.000 -3.881) 3.996 3.717 ( 6.161 0.000 -1.295) 6.296 3.744 ( -0.904 0.000 -2.183) 2.363 3.961 ( 1.929 0.000 9.794) 9.982 4.064 ( 1.613 0.000 -0.311) 1.643 4.077 ( 1.772 0.000 4.158) 4.520 4.210 ( -0.132 0.000 -0.438) 0.457 5.124 ( -0.590 0.000 1.697) 1.796 5.225 ( 3.323 0.000 -1.530) 3.658 5.301 ( -3.358 0.000 0.141) 3.361 5.431 ( -3.194 0.000 -0.881) 3.313 5.625 ( 2.399 0.000 1.223) 2.693 5.830 ( -2.044 0.000 -8.878) 9.110 5.850 ( 0.300 0.000 0.226) 0.376 5.973 ( -0.618 0.000 -0.828) 1.033 6.393 ( 0.917 0.000 2.412) 2.581 6.499 ( -2.244 0.000 -1.625) 2.771 6.653 ( -0.452 0.000 -0.272) 0.528 6.747 ( 1.263 0.000 -20.876) 20.914 6.806 ( 2.244 0.000 -1.493) 2.695 7.080 ( -1.137 0.000 2.273) 2.542 7.141 ( 0.576 0.000 -2.168) 2.243 8.238 ( -0.956 0.000 5.003) 5.093 11.763 ( -5.300 0.000 -0.053) 5.300 12.192 ( -0.963 0.000 0.482) 1.077 12.326 ( 0.805 0.000 -0.194) 0.828 12.355 ( 4.807 0.000 0.534) 4.837 14.027 ( 0.139 0.000 0.044) 0.146 14.184 ( -0.064 0.000 1.035) 1.037 14.196 ( 0.017 0.000 -1.111) 1.112 14.489 ( -0.030 0.000 0.033) 0.044 16.826 ( 0.704 0.000 -6.400) 6.439 16.997 ( -0.132 0.000 0.852) 0.862 17.132 ( -0.802 0.000 -0.282) 0.850 17.368 ( 0.403 0.000 0.307) 0.507 17.439 ( -0.175 0.000 0.729) 0.750 17.494 ( -1.689 0.000 -0.760) 1.852 17.686 ( 0.165 0.000 -0.104) 0.195 17.729 ( 1.415 0.000 0.585) 1.531 19.156 ( 1.442 0.000 -1.087) 1.806 19.608 ( -0.460 0.000 -12.199) 12.208 19.651 ( -0.414 0.000 0.605) 0.733 19.742 ( 1.681 0.000 -0.447) 1.740 28.344 ( -1.914 0.000 -0.191) 1.924 28.627 ( 0.421 0.000 0.269) 0.500 28.763 ( -2.498 0.000 26.823) 26.939 29.071 ( 0.026 0.000 0.039) 0.047 29.728 ( 0.197 0.000 -0.185) 0.270 29.864 ( -4.739 0.000 48.739) 48.969 30.407 ( 1.763 0.000 -1.217) 2.142 30.768 ( -1.551 0.000 0.497) 1.629 31.762 ( -0.011 0.000 -0.038) 0.039 31.813 ( -0.667 0.000 7.227) 7.258 31.907 ( 0.155 0.000 -0.307) 0.344 32.165 ( 0.019 0.000 0.014) 0.024 35.868 ( -0.576 0.000 3.527) 3.573 36.104 ( 1.251 0.000 -2.544) 2.835 36.962 ( 6.737 0.000 -69.724) 70.049 36.995 ( -0.557 0.000 3.183) 3.231 ======================= Grid point 2 (3/132) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 16.856 0.000 -0.651) 16.869 1.079 ( 21.301 0.000 1.832) 21.380 1.234 ( 23.556 0.000 5.481) 24.185 1.460 ( -6.546 0.000 3.386) 7.370 2.076 ( 4.763 0.000 -2.459) 5.361 2.159 ( -5.720 0.000 -2.062) 6.080 2.170 ( 6.127 0.000 -2.026) 6.453 2.367 ( -2.274 0.000 2.019) 3.041 2.495 ( -5.846 0.000 0.243) 5.851 2.701 ( 0.603 0.000 5.531) 5.563 3.130 ( -3.458 0.000 -3.102) 4.646 3.188 ( -13.386 0.000 3.774) 13.908 3.262 ( 1.184 0.000 -0.295) 1.220 3.666 ( -1.402 0.000 -5.511) 5.687 3.772 ( 2.460 0.000 0.497) 2.509 3.842 ( 6.453 0.000 -1.136) 6.552 4.015 ( 1.966 0.000 3.966) 4.426 4.102 ( 2.145 0.000 -0.090) 2.147 4.108 ( 0.647 0.000 2.720) 2.796 4.188 ( -2.243 0.000 -0.523) 2.303 5.132 ( 0.898 0.000 1.064) 1.392 5.236 ( -2.695 0.000 0.143) 2.698 5.282 ( 2.586 0.000 -1.573) 3.027 5.354 ( -4.099 0.000 -0.465) 4.125 5.683 ( 2.934 0.000 0.897) 3.068 5.765 ( -3.029 0.000 -3.344) 4.512 5.855 ( 0.132 0.000 0.577) 0.592 5.961 ( -0.380 0.000 -0.711) 0.806 6.408 ( -0.171 0.000 4.906) 4.909 6.444 ( -2.300 0.000 -4.456) 5.015 6.642 ( -0.567 0.000 -0.143) 0.585 6.732 ( -0.079 0.000 -6.943) 6.944 6.866 ( 4.116 0.000 -2.146) 4.641 7.049 ( -2.583 0.000 3.070) 4.012 7.150 ( 0.702 0.000 -2.231) 2.338 8.228 ( -0.741 0.000 2.483) 2.591 11.666 ( -4.129 0.000 0.018) 4.129 12.174 ( -0.790 0.000 0.387) 0.879 12.341 ( 0.650 0.000 -0.288) 0.711 12.442 ( 3.636 0.000 0.468) 3.666 14.030 ( 0.142 0.000 0.003) 0.143 14.186 ( -0.046 0.000 1.406) 1.407 14.194 ( -0.011 0.000 -1.487) 1.487 14.488 ( -0.030 0.000 0.033) 0.045 16.828 ( 0.355 0.000 -2.712) 2.735 16.996 ( -0.126 0.000 0.862) 0.872 17.118 ( -0.540 0.000 -0.269) 0.603 17.369 ( -0.419 0.000 0.200) 0.465 17.437 ( -0.129 0.000 0.230) 0.264 17.467 ( -0.757 0.000 -0.548) 0.935 17.689 ( 0.163 0.000 -0.104) 0.193 17.755 ( 1.055 0.000 0.462) 1.152 19.185 ( 1.514 0.000 -1.136) 1.893 19.581 ( -0.734 0.000 -4.159) 4.223 19.643 ( -0.485 0.000 0.663) 0.821 19.770 ( 1.167 0.000 -0.052) 1.168 28.305 ( -1.787 0.000 -0.174) 1.795 28.635 ( 0.308 0.000 0.241) 0.391 28.763 ( -0.826 0.000 8.934) 8.972 29.071 ( 0.026 0.000 0.037) 0.046 29.732 ( 0.212 0.000 -0.217) 0.303 29.860 ( -1.731 0.000 16.411) 16.502 30.445 ( 2.137 0.000 -1.386) 2.547 30.733 ( -1.945 0.000 0.675) 2.059 31.762 ( -0.011 0.000 -0.037) 0.039 31.813 ( -0.220 0.000 2.438) 2.448 31.910 ( 0.157 0.000 -0.301) 0.339 32.166 ( 0.019 0.000 0.014) 0.024 35.864 ( -0.442 0.000 3.218) 3.249 36.124 ( 1.117 0.000 -2.241) 2.504 36.968 ( 3.063 0.000 -28.841) 29.003 36.989 ( -1.026 0.000 6.659) 6.738 ======================= Grid point 3 (4/132) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 0.000 -0.000) 0.000 1.312 ( 0.000 0.000 -0.000) 0.000 1.361 ( 0.000 0.000 -0.000) 0.000 1.498 ( 0.000 0.000 -0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 -0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 -0.000) 0.000 3.087 ( 0.000 0.000 -0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 -0.000) 0.000 4.137 ( -0.000 0.000 -0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 -0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 -0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 -0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 -0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 -0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 -0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 -0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 12.167 ( 0.000 0.000 -0.000) 0.000 12.347 ( 0.000 0.000 -0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 14.032 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 -0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 16.829 ( 0.000 0.000 -0.000) 0.000 16.995 ( 0.000 0.000 -0.000) 0.000 17.113 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 -0.000) 0.000 17.461 ( 0.000 0.000 -0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 19.200 ( 0.000 0.000 0.000) 0.000 19.570 ( 0.000 0.000 0.000) 0.000 19.638 ( 0.000 0.000 0.000) 0.000 19.782 ( 0.000 0.000 -0.000) 0.000 28.287 ( 0.000 0.000 0.000) 0.000 28.638 ( 0.000 0.000 0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 29.071 ( 0.000 0.000 0.000) 0.000 29.734 ( 0.000 0.000 0.000) 0.000 29.858 ( 0.000 0.000 -0.000) 0.000 30.468 ( 0.000 0.000 0.000) 0.000 30.711 ( 0.000 0.000 0.000) 0.000 31.762 ( 0.000 0.000 -0.000) 0.000 31.813 ( 0.000 0.000 0.000) 0.000 31.911 ( 0.000 0.000 0.000) 0.000 32.166 ( 0.000 0.000 0.000) 0.000 35.862 ( 0.000 0.000 -0.000) 0.000 36.133 ( 0.000 0.000 0.000) 0.000 36.973 ( -0.000 0.000 0.000) 0.000 36.983 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/132) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 21.908 0.000) 21.908 0.508 ( 0.000 25.919 0.000) 25.919 0.914 ( 0.000 44.414 0.000) 44.414 1.592 ( 0.000 0.688 0.000) 0.688 1.883 ( 0.000 4.534 0.000) 4.534 2.175 ( 0.000 12.046 0.000) 12.046 2.417 ( 0.000 -1.684 0.000) 1.684 2.434 ( 0.000 1.667 0.000) 1.667 2.633 ( 0.000 -5.637 0.000) 5.637 2.663 ( 0.000 4.825 0.000) 4.825 2.914 ( 0.000 -6.447 0.000) 6.447 3.190 ( 0.000 0.125 0.000) 0.125 3.325 ( 0.000 1.468 0.000) 1.468 3.670 ( 0.000 3.974 0.000) 3.974 3.768 ( 0.000 -0.233 0.000) 0.233 3.807 ( 0.000 9.249 0.000) 9.249 3.933 ( 0.000 0.396 0.000) 0.396 4.023 ( 0.000 -1.453 0.000) 1.453 4.070 ( 0.000 3.095 0.000) 3.095 4.259 ( 0.000 3.811 0.000) 3.811 5.143 ( 0.000 0.694 0.000) 0.694 5.188 ( 0.000 0.953 0.000) 0.953 5.366 ( 0.000 1.568 0.000) 1.568 5.436 ( 0.000 -12.535 0.000) 12.535 5.713 ( 0.000 -1.860 0.000) 1.860 5.776 ( 0.000 -0.359 0.000) 0.359 5.947 ( 0.000 7.056 0.000) 7.056 6.287 ( 0.000 -5.710 0.000) 5.710 6.414 ( 0.000 1.692 0.000) 1.692 6.459 ( 0.000 -5.044 0.000) 5.044 6.530 ( 0.000 -7.357 0.000) 7.357 6.752 ( 0.000 2.523 0.000) 2.523 7.092 ( 0.000 0.649 0.000) 0.649 7.143 ( 0.000 0.673 0.000) 0.673 7.705 ( 0.000 -4.566 0.000) 4.566 7.909 ( 0.000 -3.391 0.000) 3.391 11.822 ( 0.000 -0.945 0.000) 0.945 12.207 ( 0.000 0.492 0.000) 0.492 12.301 ( 0.000 0.294 0.000) 0.294 12.323 ( 0.000 0.601 0.000) 0.601 14.022 ( 0.000 -0.353 0.000) 0.353 14.182 ( 0.000 -1.478 0.000) 1.478 14.400 ( 0.000 1.799 0.000) 1.799 14.524 ( 0.000 3.335 0.000) 3.335 16.799 ( 0.000 -1.184 0.000) 1.184 16.974 ( 0.000 -2.111 0.000) 2.111 17.139 ( 0.000 -0.364 0.000) 0.364 17.313 ( 0.000 1.887 0.000) 1.887 17.382 ( 0.000 1.403 0.000) 1.403 17.606 ( 0.000 -0.712 0.000) 0.712 17.702 ( 0.000 -1.018 0.000) 1.018 17.710 ( 0.000 2.149 0.000) 2.149 19.144 ( 0.000 0.224 0.000) 0.224 19.289 ( 0.000 2.009 0.000) 2.009 19.694 ( 0.000 -2.651 0.000) 2.651 19.982 ( 0.000 -2.443 0.000) 2.443 28.313 ( 0.000 -2.954 0.000) 2.954 28.386 ( 0.000 -0.311 0.000) 0.311 28.634 ( 0.000 0.983 0.000) 0.983 29.044 ( 0.000 -2.550 0.000) 2.550 29.707 ( 0.000 -1.842 0.000) 1.842 29.713 ( 0.000 0.007 0.000) 0.007 30.310 ( 0.000 -6.687 0.000) 6.687 30.780 ( 0.000 -0.634 0.000) 0.634 31.754 ( 0.000 3.272 0.000) 3.272 31.964 ( 0.000 18.468 0.000) 18.468 31.990 ( 0.000 8.181 0.000) 8.181 35.223 ( 0.000 0.818 0.000) 0.818 35.478 ( 0.000 2.370 0.000) 2.370 35.848 ( 0.000 -2.268 0.000) 2.268 36.108 ( 0.000 -3.473 0.000) 3.473 36.927 ( 0.000 -6.974 0.000) 6.974 ======================= Grid point 8 (6/132) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.674 17.499 -1.858) 22.913 0.691 ( 18.971 11.933 4.733) 22.907 1.143 ( 18.901 35.075 3.331) 39.983 1.568 ( -3.122 1.327 3.435) 4.828 1.946 ( 6.276 2.984 -1.558) 7.122 2.205 ( 2.923 10.326 -1.658) 10.859 2.361 ( -6.145 2.920 -0.771) 6.847 2.392 ( -2.918 -1.032 1.876) 3.619 2.609 ( -1.216 0.510 2.826) 3.118 2.690 ( 1.386 2.566 0.794) 3.022 3.041 ( 5.505 -15.904 4.694) 17.472 3.186 ( -0.713 -0.133 -0.524) 0.894 3.288 ( -2.717 1.569 -1.701) 3.569 3.690 ( 0.200 0.918 -7.190) 7.251 3.764 ( 1.624 2.310 1.116) 3.036 3.826 ( 2.046 7.963 -0.616) 8.244 3.946 ( 1.187 -1.274 1.130) 2.075 4.028 ( 0.957 -2.081 -0.728) 2.403 4.120 ( 3.813 4.940 3.006) 6.926 4.258 ( -0.111 3.761 0.357) 3.780 5.113 ( -2.089 1.334 0.959) 2.658 5.198 ( 0.299 -1.481 -2.438) 2.869 5.357 ( -0.870 1.180 -0.193) 1.479 5.458 ( 2.119 -10.486 -2.201) 10.922 5.623 ( -7.762 2.053 3.608) 8.802 5.778 ( -0.208 -1.448 0.575) 1.572 5.940 ( -0.367 6.781 -1.132) 6.884 6.253 ( -4.609 3.308 1.131) 5.784 6.365 ( -0.390 -2.830 -0.600) 2.919 6.467 ( -1.724 -2.936 -2.052) 3.976 6.567 ( 2.742 -5.335 2.859) 6.645 6.761 ( 1.066 2.266 -3.672) 4.445 7.063 ( -4.959 3.101 -2.449) 6.341 7.143 ( -0.820 2.178 1.259) 2.646 7.222 ( -18.259 19.226 -10.902) 28.668 8.037 ( 2.176 -14.852 6.138) 16.217 11.763 ( -5.115 -0.387 0.082) 5.130 12.192 ( -1.206 0.155 0.468) 1.303 12.333 ( 0.996 0.643 -0.463) 1.272 12.358 ( 4.623 0.240 0.679) 4.678 14.022 ( -0.008 -0.493 0.004) 0.493 14.181 ( -0.113 -1.350 0.803) 1.575 14.337 ( -3.691 8.309 -1.748) 9.258 14.509 ( -0.472 2.432 -0.042) 2.478 16.794 ( -0.374 -2.168 -1.532) 2.681 16.961 ( -0.387 -2.435 -0.071) 2.466 17.144 ( 0.080 0.273 -0.733) 0.786 17.353 ( 2.159 -1.034 1.014) 2.600 17.386 ( 0.345 0.488 0.777) 0.981 17.540 ( -4.219 1.025 -0.430) 4.363 17.698 ( 0.089 1.024 0.353) 1.087 17.739 ( 1.547 0.204 -0.727) 1.722 19.159 ( 1.542 0.381 -0.856) 1.804 19.402 ( 7.786 -3.901 -1.420) 8.824 19.698 ( 0.530 -2.880 -1.369) 3.232 19.863 ( -8.107 3.349 -2.524) 9.128 28.339 ( -1.601 -0.774 -0.226) 1.792 28.458 ( 5.178 -11.069 10.610) 16.184 28.676 ( 3.392 -0.157 4.124) 5.342 29.032 ( -0.916 -2.933 -1.467) 3.405 29.711 ( 0.268 -1.711 0.602) 1.833 29.753 ( 2.046 -2.913 8.315) 9.045 30.324 ( 1.452 -6.982 -0.758) 7.171 30.779 ( -0.573 -0.258 1.698) 1.810 31.767 ( 1.033 2.378 0.406) 2.624 31.960 ( -0.318 17.992 0.822) 18.014 32.021 ( 3.155 10.068 -1.042) 10.602 33.584 ( -66.504 69.705 21.687) 98.751 35.845 ( -0.457 -2.185 3.292) 3.978 36.064 ( 2.468 -3.881 -3.268) 5.642 36.520 ( 27.796 -28.168 -41.897) 57.632 36.920 ( -0.925 -7.296 1.993) 7.620 ======================= Grid point 9 (7/132) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 15.766 12.030 -2.371) 19.972 1.088 ( 19.330 -0.894 4.358) 19.835 1.446 ( 0.795 9.566 2.179) 9.843 1.516 ( 5.298 16.437 4.119) 17.754 2.078 ( 6.676 0.827 -1.564) 6.906 2.217 ( -4.577 5.170 -1.022) 6.980 2.273 ( 0.933 6.252 -1.430) 6.481 2.340 ( -2.030 -0.909 1.264) 2.558 2.607 ( 0.379 9.262 1.016) 9.325 2.710 ( 0.582 2.091 3.579) 4.186 3.013 ( -7.495 -9.483 2.341) 12.312 3.173 ( -0.794 1.027 -1.150) 1.734 3.254 ( -0.131 -0.515 -0.740) 0.911 3.651 ( -1.637 -1.089 -5.518) 5.858 3.828 ( 3.237 3.871 1.262) 5.201 3.877 ( 3.096 4.642 -0.313) 5.588 3.975 ( 1.714 -2.190 -0.535) 2.831 4.046 ( 0.470 -2.826 -0.222) 2.874 4.192 ( 2.743 5.669 2.012) 6.611 4.255 ( -0.306 5.254 0.604) 5.298 5.094 ( 0.132 -0.095 2.010) 2.016 5.177 ( -1.759 -3.466 -2.882) 4.839 5.347 ( -0.009 0.227 0.161) 0.278 5.415 ( -6.441 -1.516 -2.341) 7.019 5.571 ( 2.508 -2.706 2.353) 4.376 5.773 ( -0.331 -0.688 1.029) 1.281 5.928 ( -0.842 6.235 -1.228) 6.411 6.171 ( -3.082 8.712 -0.540) 9.257 6.370 ( -0.172 -4.114 3.550) 5.437 6.416 ( -2.252 -2.687 -4.381) 5.611 6.605 ( 0.558 -0.489 2.670) 2.771 6.748 ( -1.919 1.565 -5.282) 5.834 6.944 ( -0.226 7.032 -4.902) 8.576 7.075 ( -3.428 3.607 3.504) 6.086 7.163 ( 0.754 1.343 -1.975) 2.505 8.056 ( -0.082 -15.017 2.917) 15.298 11.669 ( -4.016 0.102 0.087) 4.019 12.172 ( -0.883 -0.167 0.387) 0.978 12.349 ( 0.711 0.816 -0.339) 1.134 12.443 ( 3.527 -0.017 0.491) 3.561 14.022 ( -0.008 -0.769 0.007) 0.769 14.181 ( -0.065 -1.205 0.691) 1.390 14.290 ( -1.193 8.621 -1.196) 8.785 14.506 ( -0.038 1.789 0.009) 1.790 16.783 ( -0.369 -3.437 -1.148) 3.642 16.962 ( 0.262 -2.688 0.414) 2.733 17.142 ( -0.045 1.409 -0.628) 1.543 17.370 ( -0.131 0.157 0.003) 0.204 17.398 ( 0.563 -1.809 1.023) 2.153 17.481 ( -1.871 0.704 -0.476) 2.055 17.702 ( 0.204 1.231 0.145) 1.256 17.761 ( 0.897 -0.038 -0.181) 0.916 19.190 ( 1.586 0.692 -0.877) 1.940 19.519 ( 4.984 -2.713 -0.726) 5.721 19.689 ( -2.549 -0.142 -2.937) 3.891 19.747 ( -2.673 -0.887 1.003) 2.989 28.299 ( -1.841 -0.561 -0.208) 1.935 28.530 ( 1.517 -9.424 4.054) 10.370 28.739 ( 1.855 -0.791 4.517) 4.947 29.013 ( -0.683 -4.452 -1.433) 4.726 29.717 ( 0.287 -1.443 0.320) 1.505 29.792 ( 0.674 -3.729 5.707) 6.850 30.355 ( 1.721 -7.597 -0.650) 7.816 30.762 ( -1.272 1.007 1.365) 2.120 31.784 ( 0.652 1.600 0.302) 1.754 31.956 ( -0.203 17.816 0.391) 17.822 32.095 ( 4.272 14.348 -0.578) 14.981 32.836 ( -22.069 52.518 6.376) 57.322 35.843 ( -0.352 -2.003 3.015) 3.636 36.089 ( 1.084 -3.352 -2.142) 4.123 36.762 ( 8.376 -18.230 -22.859) 30.414 36.900 ( -1.737 -8.213 4.962) 9.751 ======================= Grid point 10 (8/132) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 12.513 0.000) 12.513 1.338 ( 0.000 -10.824 0.000) 10.824 1.341 ( -0.000 1.324 -0.000) 1.324 1.597 ( 0.000 21.283 -0.000) 21.283 2.145 ( 0.000 -0.910 -0.000) 0.910 2.170 ( -0.000 7.749 0.000) 7.749 2.292 ( 0.000 7.070 0.000) 7.070 2.324 ( 0.000 -1.090 -0.000) 1.090 2.612 ( 0.000 15.132 0.000) 15.132 2.725 ( 0.000 0.350 0.000) 0.350 2.908 ( 0.000 -6.904 -0.000) 6.904 3.157 ( 0.000 3.980 -0.000) 3.980 3.259 ( 0.000 -2.036 0.000) 2.036 3.629 ( 0.000 -1.386 -0.000) 1.386 3.861 ( 0.000 4.660 -0.000) 4.660 3.915 ( 0.000 1.047 -0.000) 1.047 4.003 ( 0.000 -0.563 0.000) 0.563 4.037 ( 0.000 -3.881 0.000) 3.881 4.220 ( 0.000 4.512 -0.000) 4.512 4.252 ( 0.000 7.947 0.000) 7.947 5.116 ( 0.000 -0.183 0.000) 0.183 5.143 ( 0.000 -4.736 -0.000) 4.736 5.332 ( 0.000 -0.130 -0.000) 0.130 5.352 ( 0.000 -1.372 0.000) 1.372 5.610 ( 0.000 -2.173 -0.000) 2.173 5.771 ( 0.000 -0.186 -0.000) 0.186 5.913 ( 0.000 5.424 0.000) 5.424 6.142 ( 0.000 9.100 -0.000) 9.100 6.372 ( 0.000 -3.007 -0.000) 3.007 6.386 ( 0.000 -3.418 0.000) 3.418 6.608 ( 0.000 1.572 -0.000) 1.572 6.720 ( 0.000 -1.308 -0.000) 1.308 6.972 ( 0.000 5.062 0.000) 5.062 7.028 ( 0.000 1.871 0.000) 1.871 7.169 ( 0.000 1.451 -0.000) 1.451 8.057 ( 0.000 -14.893 -0.000) 14.893 11.629 ( 0.000 0.254 0.000) 0.254 12.164 ( 0.000 -0.262 -0.000) 0.262 12.356 ( 0.000 0.872 0.000) 0.872 12.478 ( 0.000 -0.120 0.000) 0.120 14.022 ( 0.000 -0.905 0.000) 0.905 14.181 ( 0.000 -1.163 0.000) 1.163 14.279 ( 0.000 8.197 -0.000) 8.197 14.505 ( 0.000 1.736 0.000) 1.736 16.779 ( 0.000 -3.913 -0.000) 3.913 16.966 ( 0.000 -2.592 -0.000) 2.592 17.141 ( 0.000 1.856 0.000) 1.856 17.366 ( 0.000 0.441 0.000) 0.441 17.404 ( 0.000 -2.080 0.000) 2.080 17.464 ( 0.000 0.321 -0.000) 0.321 17.704 ( 0.000 1.292 0.000) 1.292 17.770 ( 0.000 -0.178 -0.000) 0.178 19.206 ( 0.000 0.841 -0.000) 0.841 19.598 ( 0.000 2.387 0.000) 2.387 19.616 ( 0.000 -2.139 0.000) 2.139 19.737 ( 0.000 -4.150 0.000) 4.150 28.280 ( 0.000 -0.607 0.000) 0.607 28.546 ( 0.000 -8.251 0.000) 8.251 28.760 ( 0.000 -0.137 0.000) 0.137 29.005 ( 0.000 -5.399 0.000) 5.399 29.721 ( 0.000 -1.314 0.000) 1.314 29.802 ( 0.000 -3.531 0.000) 3.531 30.374 ( 0.000 -7.956 -0.000) 7.956 30.749 ( 0.000 1.690 0.000) 1.690 31.791 ( 0.000 1.460 -0.000) 1.460 31.955 ( 0.000 17.704 -0.000) 17.704 32.146 ( 0.000 17.933 0.000) 17.933 32.638 ( 0.000 41.818 0.000) 41.818 35.843 ( 0.000 -1.928 -0.000) 1.928 36.098 ( 0.000 -3.415 0.000) 3.415 36.823 ( 0.000 -14.748 0.000) 14.748 36.881 ( 0.000 -8.920 -0.000) 8.920 ======================= Grid point 14 (9/132) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 20.033 0.000) 20.033 1.023 ( 0.000 25.869 0.000) 25.869 1.624 ( 0.000 2.693 0.000) 2.693 1.718 ( 0.000 35.572 0.000) 35.572 1.990 ( 0.000 5.594 0.000) 5.594 2.340 ( 0.000 2.932 0.000) 2.932 2.363 ( 0.000 -3.914 0.000) 3.914 2.489 ( 0.000 3.319 0.000) 3.319 2.510 ( 0.000 -5.673 0.000) 5.673 2.761 ( 0.000 -8.293 0.000) 8.293 2.892 ( 0.000 18.074 0.000) 18.074 3.178 ( 0.000 -1.633 0.000) 1.633 3.366 ( 0.000 2.853 0.000) 2.853 3.760 ( 0.000 -0.338 0.000) 0.338 3.766 ( 0.000 4.520 0.000) 4.520 3.897 ( 0.000 -0.843 0.000) 0.843 4.021 ( 0.000 8.896 0.000) 8.896 4.024 ( 0.000 1.866 0.000) 1.866 4.191 ( 0.000 8.673 0.000) 8.673 4.335 ( 0.000 3.602 0.000) 3.602 5.097 ( 0.000 -17.241 0.000) 17.241 5.184 ( 0.000 3.729 0.000) 3.729 5.224 ( 0.000 1.184 0.000) 1.184 5.427 ( 0.000 0.959 0.000) 0.959 5.701 ( 0.000 0.300 0.000) 0.300 5.759 ( 0.000 -0.298 0.000) 0.298 6.080 ( 0.000 5.846 0.000) 5.846 6.146 ( 0.000 -7.906 0.000) 7.906 6.286 ( 0.000 -10.376 0.000) 10.376 6.409 ( 0.000 -2.384 0.000) 2.384 6.419 ( 0.000 -4.731 0.000) 4.731 6.776 ( 0.000 -0.043 0.000) 0.043 7.122 ( 0.000 2.409 0.000) 2.409 7.166 ( 0.000 1.585 0.000) 1.585 7.595 ( 0.000 -5.965 0.000) 5.965 7.805 ( 0.000 -7.142 0.000) 7.142 11.796 ( 0.000 -1.614 0.000) 1.614 12.220 ( 0.000 0.778 0.000) 0.778 12.310 ( 0.000 0.572 0.000) 0.572 12.337 ( 0.000 0.725 0.000) 0.725 14.013 ( 0.000 -0.482 0.000) 0.482 14.143 ( 0.000 -2.334 0.000) 2.334 14.446 ( 0.000 2.715 0.000) 2.715 14.610 ( 0.000 5.038 0.000) 5.038 16.779 ( 0.000 -0.659 0.000) 0.659 16.925 ( 0.000 -2.674 0.000) 2.674 17.126 ( 0.000 -0.876 0.000) 0.876 17.363 ( 0.000 2.889 0.000) 2.889 17.416 ( 0.000 1.974 0.000) 1.974 17.599 ( 0.000 0.024 0.000) 0.024 17.671 ( 0.000 -2.094 0.000) 2.094 17.758 ( 0.000 2.491 0.000) 2.491 19.153 ( 0.000 0.743 0.000) 0.743 19.338 ( 0.000 2.667 0.000) 2.667 19.628 ( 0.000 -3.618 0.000) 3.618 19.912 ( 0.000 -4.486 0.000) 4.486 28.246 ( 0.000 -3.521 0.000) 3.521 28.377 ( 0.000 -0.693 0.000) 0.693 28.654 ( 0.000 0.986 0.000) 0.986 28.976 ( 0.000 -4.079 0.000) 4.079 29.660 ( 0.000 -2.722 0.000) 2.722 29.719 ( 0.000 0.570 0.000) 0.570 30.181 ( 0.000 -5.638 0.000) 5.638 30.744 ( 0.000 -3.168 0.000) 3.168 31.844 ( 0.000 5.532 0.000) 5.532 32.203 ( 0.000 12.367 0.000) 12.367 32.407 ( 0.000 24.487 0.000) 24.487 35.248 ( 0.000 1.660 0.000) 1.660 35.545 ( 0.000 4.320 0.000) 4.320 35.785 ( 0.000 -3.879 0.000) 3.879 36.015 ( 0.000 -5.691 0.000) 5.691 36.737 ( 0.000 -11.731 0.000) 11.731 ======================= Grid point 15 (10/132) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 9.704 16.074 0.526) 18.784 1.046 ( 3.687 21.663 -0.577) 21.982 1.611 ( -1.888 3.925 3.183) 5.394 1.827 ( 8.840 29.883 2.746) 31.284 2.030 ( 4.300 5.291 -0.122) 6.819 2.315 ( -2.909 -0.783 3.546) 4.654 2.357 ( 0.276 0.699 -2.310) 2.429 2.435 ( -3.681 2.509 -1.752) 4.787 2.561 ( 3.760 -3.670 2.758) 5.933 2.816 ( 3.800 -4.025 1.737) 5.801 2.932 ( 3.848 14.870 0.353) 15.364 3.171 ( -0.618 -1.425 0.022) 1.554 3.339 ( -2.408 3.621 -1.760) 4.691 3.707 ( -3.079 0.540 -7.280) 7.923 3.822 ( 3.413 2.724 3.526) 5.613 3.906 ( 0.905 -0.847 0.113) 1.245 3.990 ( -1.240 3.539 -2.165) 4.330 4.039 ( 1.272 6.541 -0.258) 6.669 4.256 ( 4.419 8.185 1.330) 9.396 4.331 ( 0.071 3.440 1.429) 3.726 5.095 ( -0.420 -15.864 -0.339) 15.873 5.169 ( -1.638 4.276 1.808) 4.923 5.209 ( -0.791 -0.928 -3.098) 3.330 5.449 ( 1.487 1.027 -1.691) 2.475 5.628 ( -5.779 -0.829 1.852) 6.125 5.764 ( 0.291 1.178 -0.178) 1.226 6.060 ( -0.754 4.054 0.189) 4.128 6.180 ( -0.527 -6.705 2.002) 7.017 6.238 ( -1.228 -7.779 -2.331) 8.213 6.388 ( -1.656 -4.853 -3.014) 5.948 6.490 ( 4.949 -3.852 3.142) 7.014 6.782 ( 0.646 -0.156 -0.769) 1.016 7.110 ( -1.352 2.986 -0.261) 3.288 7.176 ( 0.980 1.848 -0.343) 2.119 7.464 ( -12.105 4.475 -5.504) 14.030 7.766 ( -2.649 -11.739 5.787) 13.353 11.747 ( -4.343 -1.159 0.001) 4.495 12.198 ( -1.753 0.402 0.861) 1.994 12.349 ( 1.417 0.935 -0.893) 1.918 12.363 ( 4.104 0.277 0.583) 4.155 14.010 ( -0.295 -0.629 0.038) 0.696 14.144 ( 0.032 -2.343 0.361) 2.370 14.450 ( 0.360 3.844 -0.834) 3.950 14.592 ( -1.490 5.466 -0.408) 5.680 16.761 ( -1.769 -0.994 0.869) 2.207 16.914 ( -0.542 -2.261 -0.925) 2.502 17.134 ( 0.705 -1.002 -0.223) 1.245 17.371 ( 0.591 2.191 0.494) 2.323 17.409 ( -0.752 1.590 0.754) 1.914 17.552 ( -3.425 0.551 -0.480) 3.502 17.695 ( 1.592 -1.636 0.172) 2.289 17.756 ( -0.134 1.823 -0.306) 1.853 19.174 ( 2.047 1.116 -0.532) 2.392 19.388 ( 4.656 1.007 -0.212) 4.768 19.627 ( -0.079 -3.971 -0.980) 4.091 19.857 ( -5.084 -2.684 -0.754) 5.798 28.280 ( 2.501 -4.907 2.342) 5.985 28.347 ( -2.403 -1.550 0.819) 2.974 28.685 ( 2.529 0.708 1.859) 3.217 28.960 ( -1.453 -4.121 -1.472) 4.610 29.666 ( 0.550 -2.608 0.396) 2.695 29.733 ( 1.165 0.198 0.905) 1.488 30.187 ( 0.681 -6.066 -0.480) 6.122 30.745 ( -0.085 -3.209 0.924) 3.340 31.850 ( 0.599 5.506 0.024) 5.538 32.261 ( 5.853 13.632 0.028) 14.835 32.402 ( -0.424 24.181 -0.048) 24.184 34.522 ( -44.941 31.592 15.766) 57.152 35.786 ( -0.038 -3.707 2.641) 4.552 35.957 ( 8.597 -6.538 -7.443) 13.117 36.101 ( 17.018 -14.411 -16.946) 28.008 36.722 ( -1.698 -12.167 1.622) 12.392 ======================= Grid point 16 (11/132) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 6.467 6.182 2.554) 9.303 1.208 ( 11.878 13.768 -4.474) 18.726 1.550 ( -5.639 7.161 5.801) 10.805 1.957 ( 3.282 15.663 1.010) 16.035 2.135 ( 4.674 6.571 0.647) 8.090 2.264 ( -2.070 0.786 2.216) 3.133 2.359 ( -3.030 2.663 -0.763) 4.105 2.408 ( 5.693 7.185 -1.730) 9.329 2.649 ( 4.325 -2.298 3.528) 6.036 2.845 ( -2.141 0.766 1.433) 2.688 2.996 ( 1.641 13.854 0.497) 13.960 3.174 ( 1.732 -1.074 -0.456) 2.089 3.288 ( -2.248 4.480 -2.076) 5.426 3.634 ( -2.744 -0.499 -5.172) 5.876 3.884 ( 1.962 0.846 0.534) 2.202 3.932 ( 1.818 0.422 0.751) 2.012 3.983 ( 0.594 1.133 -1.805) 2.213 4.067 ( 1.358 7.132 0.373) 7.270 4.289 ( -0.179 3.480 0.532) 3.525 4.380 ( 3.457 7.351 1.278) 8.224 5.063 ( -2.622 -9.230 0.587) 9.613 5.151 ( -0.047 1.452 0.639) 1.587 5.195 ( -0.293 -5.242 -2.687) 5.898 5.401 ( -5.726 0.601 -0.200) 5.761 5.599 ( 2.478 -0.638 0.829) 2.689 5.775 ( 0.989 3.174 -0.735) 3.405 6.045 ( -1.434 4.919 0.097) 5.124 6.124 ( -3.022 -8.776 -0.152) 9.283 6.248 ( 0.964 -6.930 2.128) 7.313 6.345 ( -2.157 -4.376 -4.071) 6.354 6.585 ( 4.239 -4.174 2.262) 6.365 6.778 ( -1.779 0.762 -0.681) 2.052 7.077 ( -0.825 5.364 -2.770) 6.093 7.195 ( 0.340 2.775 0.709) 2.884 7.238 ( -8.273 9.417 -1.139) 12.586 7.741 ( -0.971 -14.618 2.959) 14.946 11.665 ( -3.555 -0.523 0.051) 3.593 12.170 ( -1.179 -0.011 0.582) 1.314 12.370 ( 0.900 1.228 -0.472) 1.594 12.440 ( 3.234 -0.221 0.352) 3.261 14.004 ( -0.292 -0.922 0.052) 0.969 14.145 ( 0.025 -2.356 0.327) 2.378 14.452 ( -0.014 6.296 -0.865) 6.355 14.568 ( -0.786 4.875 -0.191) 4.942 16.728 ( -1.482 -1.753 0.467) 2.343 16.909 ( 0.104 -2.392 -0.382) 2.425 17.147 ( 0.631 -0.849 -0.373) 1.121 17.381 ( 0.328 1.340 -0.146) 1.387 17.395 ( -0.793 1.004 1.198) 1.753 17.495 ( -2.150 0.903 -0.481) 2.381 17.721 ( 1.148 -0.693 0.442) 1.412 17.751 ( -0.306 0.357 -0.460) 0.658 19.217 ( 2.166 1.996 -0.524) 2.991 19.487 ( 5.324 -0.917 0.152) 5.404 19.624 ( 0.117 -4.598 -1.685) 4.898 19.744 ( -6.253 -0.615 0.041) 6.283 28.283 ( -1.767 -1.090 -0.308) 2.098 28.350 ( 1.759 -7.671 2.850) 8.370 28.736 ( 2.073 0.273 2.260) 3.079 28.923 ( -1.790 -4.377 -1.950) 5.115 29.679 ( 0.569 -2.352 0.375) 2.449 29.756 ( 0.920 -0.122 0.688) 1.155 30.202 ( 0.883 -7.001 -0.374) 7.066 30.741 ( -0.463 -3.044 0.817) 3.186 31.862 ( 0.556 5.561 0.000) 5.588 32.378 ( 1.645 21.903 0.709) 21.976 32.420 ( 6.156 17.937 -0.880) 18.984 33.836 ( -27.697 44.805 7.301) 53.178 35.790 ( -0.034 -3.226 2.450) 4.051 35.999 ( 0.824 -5.468 -1.814) 5.819 36.373 ( 11.561 -19.012 -14.759) 26.701 36.681 ( -2.902 -13.287 3.520) 14.048 ======================= Grid point 17 (12/132) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 -1.056 0.000) 1.056 1.384 ( -0.000 3.112 0.000) 3.112 1.438 ( 0.000 17.373 0.000) 17.373 1.980 ( 0.000 11.739 -0.000) 11.739 2.172 ( 0.000 4.259 -0.000) 4.259 2.253 ( 0.000 3.691 0.000) 3.691 2.321 ( 0.000 1.713 -0.000) 1.713 2.506 ( -0.000 10.080 0.000) 10.080 2.718 ( 0.000 -0.850 0.000) 0.850 2.772 ( 0.000 1.004 -0.000) 1.004 3.007 ( 0.000 15.811 0.000) 15.811 3.209 ( -0.000 -2.052 -0.000) 2.052 3.255 ( 0.000 6.237 0.000) 6.237 3.601 ( 0.000 -1.126 -0.000) 1.126 3.899 ( 0.000 -0.348 -0.000) 0.348 3.957 ( 0.000 1.204 -0.000) 1.204 3.990 ( 0.000 -0.391 0.000) 0.391 4.081 ( 0.000 8.087 0.000) 8.087 4.287 ( 0.000 1.956 -0.000) 1.956 4.418 ( 0.000 8.478 0.000) 8.478 5.034 ( 0.000 -7.736 -0.000) 7.736 5.155 ( 0.000 3.553 -0.000) 3.553 5.188 ( 0.000 -9.784 -0.000) 9.784 5.333 ( 0.000 1.698 0.000) 1.698 5.636 ( 0.000 -2.266 -0.000) 2.266 5.789 ( 0.000 5.803 0.000) 5.803 6.018 ( 0.000 3.853 0.000) 3.853 6.095 ( 0.000 -8.988 -0.000) 8.988 6.288 ( 0.000 -6.440 0.000) 6.440 6.291 ( 0.000 -4.504 -0.000) 4.504 6.642 ( 0.000 -6.511 -0.000) 6.511 6.734 ( 0.000 5.402 -0.000) 5.402 7.091 ( 0.000 4.140 0.000) 4.140 7.132 ( 0.000 10.268 -0.000) 10.268 7.211 ( 0.000 2.595 0.000) 2.595 7.735 ( 0.000 -15.141 -0.000) 15.141 11.630 ( 0.000 -0.273 0.000) 0.273 12.159 ( 0.000 -0.162 -0.000) 0.162 12.379 ( 0.000 1.343 0.000) 1.343 12.473 ( 0.000 -0.419 0.000) 0.419 14.001 ( 0.000 -1.067 0.000) 1.067 14.145 ( 0.000 -2.363 0.000) 2.363 14.450 ( 0.000 7.457 -0.000) 7.457 14.561 ( 0.000 4.283 0.000) 4.283 16.714 ( 0.000 -2.138 -0.000) 2.138 16.911 ( 0.000 -2.590 -0.000) 2.590 17.154 ( 0.000 -0.723 0.000) 0.723 17.382 ( 0.000 1.162 0.000) 1.162 17.390 ( 0.000 0.777 -0.000) 0.777 17.474 ( 0.000 0.809 -0.000) 0.809 17.737 ( 0.000 1.855 0.000) 1.855 17.744 ( -0.000 -2.442 -0.000) 2.442 19.240 ( 0.000 2.527 0.000) 2.527 19.560 ( 0.000 -3.301 -0.000) 3.301 19.639 ( 0.000 -5.277 -0.000) 5.277 19.645 ( -0.000 2.108 0.000) 2.108 28.264 ( 0.000 -1.011 0.000) 1.011 28.371 ( 0.000 -8.267 0.000) 8.267 28.761 ( 0.000 0.215 0.000) 0.215 28.901 ( 0.000 -4.692 0.000) 4.692 29.685 ( 0.000 -2.207 0.000) 2.207 29.766 ( 0.000 -0.147 0.000) 0.147 30.212 ( 0.000 -7.505 -0.000) 7.505 30.736 ( 0.000 -2.863 0.000) 2.863 31.868 ( 0.000 5.627 -0.000) 5.627 32.380 ( 0.000 23.574 -0.000) 23.574 32.512 ( 0.000 17.134 0.000) 17.134 33.562 ( 0.000 46.747 -0.000) 46.747 35.792 ( 0.000 -3.014 -0.000) 3.014 36.005 ( 0.000 -5.735 0.000) 5.735 36.478 ( 0.000 -18.304 0.000) 18.304 36.645 ( 0.000 -14.137 -0.000) 14.137 ======================= Grid point 21 (13/132) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 14.642 0.000) 14.642 1.514 ( 0.000 23.049 0.000) 23.049 1.709 ( 0.000 6.129 0.000) 6.129 2.073 ( 0.000 2.005 0.000) 2.005 2.235 ( 0.000 12.660 0.000) 12.660 2.271 ( 0.000 -4.493 0.000) 4.493 2.356 ( 0.000 0.410 0.000) 0.410 2.434 ( 0.000 -2.160 0.000) 2.160 2.603 ( 0.000 11.470 0.000) 11.470 2.605 ( 0.000 -7.195 0.000) 7.195 3.131 ( 0.000 -2.450 0.000) 2.450 3.217 ( 0.000 10.628 0.000) 10.628 3.464 ( 0.000 7.826 0.000) 7.826 3.766 ( 0.000 1.004 0.000) 1.004 3.798 ( 0.000 -1.679 0.000) 1.679 3.905 ( 0.000 1.938 0.000) 1.938 4.098 ( 0.000 5.505 0.000) 5.505 4.178 ( 0.000 6.780 0.000) 6.780 4.382 ( 0.000 9.840 0.000) 9.840 4.398 ( 0.000 2.651 0.000) 2.651 4.764 ( 0.000 -14.777 0.000) 14.777 5.208 ( 0.000 -4.747 0.000) 4.747 5.296 ( 0.000 7.443 0.000) 7.443 5.394 ( 0.000 -3.475 0.000) 3.475 5.701 ( 0.000 -0.972 0.000) 0.972 5.781 ( 0.000 1.920 0.000) 1.920 6.008 ( 0.000 -5.434 0.000) 5.434 6.081 ( 0.000 -6.049 0.000) 6.049 6.205 ( 0.000 3.534 0.000) 3.534 6.335 ( 0.000 -3.070 0.000) 3.070 6.346 ( 0.000 -2.708 0.000) 2.708 6.758 ( 0.000 -1.540 0.000) 1.540 7.181 ( 0.000 3.377 0.000) 3.377 7.193 ( 0.000 0.774 0.000) 0.774 7.487 ( 0.000 -4.753 0.000) 4.753 7.630 ( 0.000 -10.204 0.000) 10.204 11.763 ( 0.000 -1.616 0.000) 1.616 12.235 ( 0.000 0.702 0.000) 0.702 12.322 ( 0.000 0.694 0.000) 0.694 12.349 ( 0.000 0.434 0.000) 0.434 14.004 ( 0.000 -0.368 0.000) 0.368 14.095 ( 0.000 -2.306 0.000) 2.306 14.500 ( 0.000 2.585 0.000) 2.585 14.709 ( 0.000 4.592 0.000) 4.592 16.778 ( 0.000 0.635 0.000) 0.635 16.876 ( 0.000 -2.126 0.000) 2.126 17.108 ( 0.000 -0.882 0.000) 0.882 17.418 ( 0.000 2.433 0.000) 2.433 17.455 ( 0.000 1.845 0.000) 1.845 17.606 ( 0.000 0.663 0.000) 0.663 17.623 ( 0.000 -2.589 0.000) 2.589 17.804 ( 0.000 2.109 0.000) 2.109 19.171 ( 0.000 0.946 0.000) 0.946 19.388 ( 0.000 2.274 0.000) 2.274 19.562 ( 0.000 -2.875 0.000) 2.875 19.814 ( 0.000 -5.071 0.000) 5.071 28.183 ( 0.000 -2.736 0.000) 2.736 28.359 ( 0.000 -1.027 0.000) 1.027 28.672 ( 0.000 0.840 0.000) 0.840 28.895 ( 0.000 -3.761 0.000) 3.761 29.609 ( 0.000 -2.261 0.000) 2.261 29.735 ( 0.000 0.956 0.000) 0.956 30.095 ( 0.000 -3.147 0.000) 3.147 30.664 ( 0.000 -4.501 0.000) 4.501 31.958 ( 0.000 5.633 0.000) 5.633 32.441 ( 0.000 10.856 0.000) 10.856 32.875 ( 0.000 21.613 0.000) 21.613 35.289 ( 0.000 2.395 0.000) 2.395 35.646 ( 0.000 5.708 0.000) 5.708 35.701 ( 0.000 -4.457 0.000) 4.457 35.898 ( 0.000 -5.619 0.000) 5.619 36.483 ( 0.000 -13.405 0.000) 13.405 ======================= Grid point 22 (14/132) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.150 12.343 0.637) 13.038 1.472 ( -3.098 20.538 -2.026) 20.869 1.722 ( 0.940 7.437 2.857) 8.022 2.063 ( -1.053 0.686 1.034) 1.627 2.256 ( 1.873 3.702 3.872) 5.675 2.288 ( 0.358 1.787 -1.275) 2.224 2.374 ( 1.989 1.753 -0.181) 2.658 2.486 ( 5.337 -1.465 2.156) 5.940 2.533 ( -0.915 6.100 0.260) 6.174 2.752 ( 8.365 1.076 0.383) 8.442 3.136 ( 0.525 -1.561 -0.089) 1.649 3.225 ( 0.779 9.301 -0.777) 9.366 3.449 ( -1.400 7.871 -1.543) 8.142 3.720 ( -3.512 1.105 -4.153) 5.550 3.826 ( 1.833 -2.338 0.248) 2.982 3.916 ( 1.186 1.651 0.721) 2.157 4.075 ( -1.229 6.196 -2.677) 6.861 4.190 ( 0.958 6.994 0.992) 7.129 4.378 ( -2.051 2.419 1.768) 3.631 4.435 ( 4.655 8.298 1.227) 9.594 4.770 ( 0.671 -14.606 -0.665) 14.637 5.184 ( -2.446 -3.771 -1.093) 4.626 5.290 ( -0.853 7.364 0.138) 7.414 5.403 ( 1.191 -5.149 -0.506) 5.309 5.614 ( -6.155 0.270 1.507) 6.342 5.826 ( 2.510 3.682 -1.543) 4.715 6.007 ( -0.645 -7.045 2.238) 7.420 6.060 ( -1.328 -4.580 -1.081) 4.890 6.205 ( -0.959 2.986 -1.389) 3.430 6.284 ( -1.571 -5.104 -3.872) 6.596 6.417 ( 3.643 -2.423 4.435) 6.229 6.762 ( 0.465 -1.598 -0.113) 1.668 7.179 ( -0.213 3.783 -0.385) 3.809 7.206 ( 1.273 0.872 -0.296) 1.571 7.464 ( -2.840 -2.748 -2.294) 4.570 7.569 ( -4.992 -8.778 3.530) 10.697 11.722 ( -3.665 -1.267 -0.168) 3.881 12.207 ( -2.266 0.444 1.335) 2.667 12.367 ( 1.644 0.760 -0.891) 2.018 12.368 ( 3.691 0.243 0.022) 3.699 13.999 ( -0.560 -0.495 0.096) 0.753 14.095 ( -0.049 -2.390 0.151) 2.396 14.512 ( 1.126 2.610 -0.297) 2.858 14.700 ( -0.809 4.980 -0.417) 5.063 16.757 ( -2.156 0.485 1.232) 2.530 16.874 ( -0.036 -1.676 -1.169) 2.043 17.113 ( 0.414 -1.087 -0.022) 1.163 17.418 ( -0.025 2.253 0.222) 2.264 17.443 ( -1.191 1.705 0.778) 2.220 17.565 ( -2.611 0.604 -0.957) 2.846 17.651 ( 1.455 -2.342 0.405) 2.787 17.794 ( -0.883 1.828 0.115) 2.033 19.199 ( 2.807 1.285 -0.321) 3.104 19.415 ( 2.575 1.333 -0.145) 2.903 19.554 ( -0.708 -3.075 -0.526) 3.199 19.787 ( -2.732 -3.950 -0.191) 4.806 28.197 ( 1.237 -3.340 1.051) 3.713 28.324 ( -3.037 -1.047 -0.318) 3.228 28.700 ( 2.310 0.780 1.290) 2.759 28.880 ( -1.427 -3.714 -1.079) 4.122 29.616 ( 0.685 -2.273 0.030) 2.374 29.747 ( 1.179 1.071 0.183) 1.603 30.093 ( -0.087 -3.466 -0.417) 3.492 30.663 ( -0.150 -4.600 0.495) 4.629 31.966 ( 0.732 5.726 -0.063) 5.773 32.513 ( 7.237 11.084 -0.168) 13.238 32.866 ( -0.966 21.421 0.318) 21.445 34.996 ( -23.276 18.317 9.660) 31.154 35.705 ( 0.805 -4.372 1.733) 4.771 35.837 ( 12.660 -4.882 -11.835) 18.005 35.898 ( 0.731 -7.133 -2.084) 7.467 36.459 ( -2.532 -13.829 1.311) 14.120 ======================= Grid point 23 (15/132) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.525 10.994 1.289) 11.082 1.443 ( 1.212 10.948 -3.235) 11.480 1.747 ( 0.825 11.279 4.111) 12.033 2.043 ( -0.999 -1.314 0.961) 1.910 2.269 ( -0.973 1.256 0.414) 1.642 2.315 ( 2.619 6.306 2.404) 7.239 2.405 ( 0.520 2.020 -1.653) 2.661 2.532 ( 2.013 -1.774 0.218) 2.692 2.649 ( 8.443 7.243 3.481) 11.656 2.869 ( 2.445 3.067 0.791) 4.001 3.161 ( 2.435 0.132 -0.455) 2.481 3.237 ( 0.439 6.901 -1.328) 7.042 3.410 ( -2.170 6.653 -1.410) 7.138 3.641 ( -3.392 1.327 -3.997) 5.407 3.852 ( 0.823 -3.122 -0.804) 3.327 3.951 ( 1.872 0.558 1.084) 2.234 4.057 ( -0.423 6.675 -1.616) 6.881 4.217 ( 1.846 6.630 -0.069) 6.883 4.334 ( -2.759 1.490 2.439) 3.972 4.528 ( 4.207 7.146 0.682) 8.320 4.787 ( 1.152 -13.681 -0.823) 13.754 5.126 ( -2.762 -2.350 -0.486) 3.659 5.257 ( -2.509 5.241 0.777) 5.862 5.427 ( 1.021 -0.663 -2.181) 2.497 5.527 ( -2.629 -1.837 2.182) 3.879 5.866 ( 2.360 2.709 -1.634) 3.947 5.969 ( -2.788 -4.255 0.183) 5.090 6.071 ( 2.232 -5.159 0.140) 5.623 6.150 ( -3.702 -0.207 0.028) 3.708 6.254 ( -1.846 -4.152 -2.861) 5.369 6.484 ( 2.448 -3.842 3.076) 5.497 6.771 ( 0.305 -1.238 -0.100) 1.279 7.173 ( -0.021 4.522 -1.185) 4.675 7.233 ( 1.362 1.127 -0.328) 1.798 7.363 ( -5.873 2.257 0.145) 6.293 7.519 ( -1.148 -7.861 1.780) 8.141 11.651 ( -3.087 -0.776 -0.105) 3.185 12.171 ( -1.498 0.111 0.883) 1.743 12.394 ( 1.179 1.110 -0.554) 1.711 12.435 ( 2.807 -0.326 0.068) 2.827 13.987 ( -0.553 -0.747 0.109) 0.936 14.094 ( -0.042 -2.539 0.144) 2.544 14.534 ( 1.045 2.742 -0.298) 2.950 14.682 ( -0.792 5.660 -0.396) 5.729 16.716 ( -1.896 0.406 0.909) 2.141 16.872 ( -0.032 -1.424 -0.773) 1.620 17.121 ( 0.449 -1.462 -0.089) 1.532 17.416 ( -0.326 1.811 -0.292) 1.863 17.423 ( -0.754 1.638 1.168) 2.148 17.518 ( -1.934 1.325 -0.658) 2.435 17.674 ( 0.846 -3.058 0.195) 3.179 17.778 ( -0.779 1.388 0.101) 1.595 19.262 ( 3.313 2.272 -0.316) 4.030 19.470 ( 2.701 -0.969 -0.090) 2.871 19.538 ( -0.548 -3.694 -0.593) 3.782 19.722 ( -3.651 -1.342 -0.088) 3.891 28.224 ( 1.228 -4.330 0.970) 4.604 28.268 ( -2.370 -1.201 -0.135) 2.660 28.745 ( 1.876 0.618 1.578) 2.528 28.845 ( -1.742 -3.439 -1.539) 4.151 29.631 ( 0.749 -2.272 0.010) 2.392 29.772 ( 1.107 1.357 0.173) 1.760 30.091 ( -0.001 -4.209 -0.389) 4.227 30.659 ( -0.327 -4.669 0.456) 4.702 31.981 ( 0.748 5.937 -0.073) 5.984 32.682 ( 9.166 11.191 -0.337) 14.469 32.846 ( -1.043 20.980 0.381) 21.009 34.585 ( -18.991 31.457 5.358) 37.134 35.723 ( 0.733 -3.291 1.632) 3.746 35.885 ( -0.134 -5.790 -1.111) 5.897 36.048 ( 9.650 -13.420 -9.613) 19.121 36.398 ( -4.079 -14.831 2.752) 15.626 ======================= Grid point 24 (16/132) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 11.086 0.000) 11.086 1.463 ( 0.000 4.670 0.000) 4.670 1.760 ( 0.000 13.888 0.000) 13.888 2.034 ( 0.000 -2.191 0.000) 2.191 2.258 ( 0.000 2.864 -0.000) 2.864 2.355 ( 0.000 6.790 0.000) 6.790 2.394 ( 0.000 3.704 -0.000) 3.704 2.561 ( 0.000 -4.004 0.000) 4.004 2.766 ( 0.000 5.054 0.000) 5.054 2.859 ( 0.000 7.028 -0.000) 7.028 3.199 ( 0.000 1.136 0.000) 1.136 3.237 ( 0.000 5.943 -0.000) 5.943 3.381 ( 0.000 4.754 -0.000) 4.754 3.601 ( 0.000 1.338 0.000) 1.338 3.858 ( 0.000 -3.395 -0.000) 3.395 3.972 ( 0.000 -0.120 0.000) 0.120 4.051 ( 0.000 6.698 -0.000) 6.698 4.246 ( 0.000 7.681 0.000) 7.681 4.299 ( 0.000 -0.437 -0.000) 0.437 4.573 ( 0.000 6.835 0.000) 6.835 4.800 ( 0.000 -12.515 0.000) 12.515 5.097 ( 0.000 -1.353 -0.000) 1.353 5.226 ( 0.000 3.203 -0.000) 3.203 5.431 ( 0.000 7.976 0.000) 7.976 5.512 ( 0.000 -8.510 0.000) 8.510 5.901 ( 0.000 -7.291 -0.000) 7.291 5.933 ( -0.000 6.211 0.000) 6.211 6.089 ( 0.000 2.002 -0.000) 2.002 6.124 ( 0.000 -10.212 0.000) 10.212 6.217 ( 0.000 -2.598 -0.000) 2.598 6.511 ( 0.000 -4.776 -0.000) 4.776 6.773 ( 0.000 -0.420 -0.000) 0.420 7.176 ( 0.000 4.300 0.000) 4.300 7.246 ( 0.000 1.498 0.000) 1.498 7.299 ( 0.000 4.428 -0.000) 4.428 7.511 ( 0.000 -7.452 -0.000) 7.452 11.620 ( 0.000 -0.585 0.000) 0.585 12.157 ( 0.000 -0.017 -0.000) 0.017 12.405 ( 0.000 1.263 0.000) 1.263 12.463 ( 0.000 -0.568 0.000) 0.568 13.982 ( 0.000 -0.871 0.000) 0.871 14.094 ( 0.000 -2.607 -0.000) 2.607 14.545 ( 0.000 2.852 -0.000) 2.852 14.674 ( 0.000 5.946 0.000) 5.946 16.698 ( 0.000 0.363 0.000) 0.363 16.871 ( 0.000 -1.462 -0.000) 1.462 17.126 ( 0.000 -1.660 0.000) 1.660 17.409 ( 0.000 1.483 0.000) 1.483 17.419 ( 0.000 1.791 -0.000) 1.791 17.498 ( 0.000 1.523 -0.000) 1.523 17.682 ( 0.000 -3.449 0.000) 3.449 17.770 ( 0.000 1.276 0.000) 1.276 19.299 ( 0.000 3.186 0.000) 3.186 19.492 ( 0.000 -3.431 -0.000) 3.431 19.542 ( 0.000 -4.172 0.000) 4.172 19.676 ( 0.000 1.024 0.000) 1.024 28.239 ( 0.000 -5.002 -0.000) 5.002 28.243 ( -0.000 -1.037 0.000) 1.037 28.768 ( 0.000 0.542 0.000) 0.542 28.822 ( 0.000 -3.271 0.000) 3.271 29.639 ( 0.000 -2.259 0.000) 2.259 29.783 ( 0.000 1.534 0.000) 1.534 30.091 ( 0.000 -4.637 -0.000) 4.637 30.655 ( 0.000 -4.645 0.000) 4.645 31.989 ( 0.000 6.053 -0.000) 6.053 32.788 ( 0.000 10.540 0.000) 10.540 32.833 ( -0.000 20.985 -0.000) 20.985 34.390 ( 0.000 36.174 -0.000) 36.174 35.733 ( 0.000 -2.704 -0.000) 2.704 35.882 ( 0.000 -6.336 0.000) 6.336 36.147 ( 0.000 -14.410 0.000) 14.410 36.346 ( 0.000 -15.656 -0.000) 15.656 ======================= Grid point 28 (17/132) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 7.203 0.000) 7.203 1.843 ( 0.000 7.426 0.000) 7.426 1.901 ( 0.000 12.501 0.000) 12.501 2.078 ( 0.000 0.806 0.000) 0.806 2.209 ( 0.000 -2.025 0.000) 2.025 2.293 ( 0.000 -0.570 0.000) 0.570 2.368 ( 0.000 -0.261 0.000) 0.261 2.409 ( 0.000 -0.786 0.000) 0.786 2.480 ( 0.000 -5.315 0.000) 5.315 2.889 ( 0.000 12.968 0.000) 12.968 3.108 ( 0.000 0.459 0.000) 0.459 3.310 ( 0.000 0.884 0.000) 0.884 3.625 ( 0.000 6.694 0.000) 6.694 3.728 ( 0.000 -4.918 0.000) 4.918 3.785 ( 0.000 0.328 0.000) 0.328 3.925 ( 0.000 -0.223 0.000) 0.223 4.214 ( 0.000 4.929 0.000) 4.929 4.291 ( 0.000 4.314 0.000) 4.314 4.438 ( 0.000 1.410 0.000) 1.410 4.537 ( 0.000 1.231 0.000) 1.231 4.595 ( 0.000 3.170 0.000) 3.170 5.033 ( 0.000 -11.373 0.000) 11.373 5.307 ( 0.000 -4.881 0.000) 4.881 5.455 ( 0.000 7.735 0.000) 7.735 5.654 ( 0.000 -3.376 0.000) 3.376 5.824 ( 0.000 2.334 0.000) 2.334 5.921 ( 0.000 -3.650 0.000) 3.650 6.019 ( 0.000 -0.411 0.000) 0.411 6.236 ( 0.000 -0.229 0.000) 0.229 6.333 ( 0.000 0.979 0.000) 0.979 6.344 ( 0.000 3.279 0.000) 3.279 6.723 ( 0.000 -1.758 0.000) 1.758 7.196 ( 0.000 -0.125 0.000) 0.125 7.249 ( 0.000 3.356 0.000) 3.356 7.406 ( 0.000 -3.501 0.000) 3.501 7.423 ( 0.000 -9.759 0.000) 9.759 11.736 ( 0.000 -0.967 0.000) 0.967 12.246 ( 0.000 0.387 0.000) 0.387 12.336 ( 0.000 0.605 0.000) 0.605 12.353 ( 0.000 0.013 0.000) 0.013 13.999 ( 0.000 -0.119 0.000) 0.119 14.057 ( 0.000 -1.478 0.000) 1.478 14.543 ( 0.000 1.555 0.000) 1.555 14.782 ( 0.000 2.645 0.000) 2.645 16.798 ( 0.000 1.069 0.000) 1.069 16.843 ( 0.000 -1.137 0.000) 1.137 17.093 ( 0.000 -0.625 0.000) 0.625 17.456 ( 0.000 1.375 0.000) 1.375 17.485 ( 0.000 1.116 0.000) 1.116 17.576 ( 0.000 -1.935 0.000) 1.935 17.620 ( 0.000 0.596 0.000) 0.596 17.838 ( 0.000 1.245 0.000) 1.245 19.187 ( 0.000 0.636 0.000) 0.636 19.424 ( 0.000 1.280 0.000) 1.280 19.520 ( 0.000 -1.301 0.000) 1.301 19.725 ( 0.000 -3.534 0.000) 3.534 28.140 ( 0.000 -1.465 0.000) 1.465 28.339 ( 0.000 -0.856 0.000) 0.856 28.687 ( 0.000 0.566 0.000) 0.566 28.836 ( 0.000 -2.057 0.000) 2.057 29.574 ( 0.000 -1.174 0.000) 1.174 29.752 ( 0.000 0.719 0.000) 0.719 30.051 ( 0.000 -1.364 0.000) 1.364 30.583 ( 0.000 -3.188 0.000) 3.188 32.052 ( 0.000 3.484 0.000) 3.484 32.611 ( 0.000 5.939 0.000) 5.939 33.223 ( 0.000 12.669 0.000) 12.669 35.338 ( 0.000 2.402 0.000) 2.402 35.618 ( 0.000 -3.599 0.000) 3.599 35.743 ( 0.000 1.490 0.000) 1.490 35.836 ( 0.000 2.419 0.000) 2.419 36.224 ( 0.000 -12.374 0.000) 12.374 ======================= Grid point 29 (18/132) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 1.723 6.540 1.163) 6.862 1.812 ( -5.091 11.504 -1.057) 12.625 1.889 ( 1.032 9.036 0.365) 9.102 2.035 ( -2.684 -1.962 1.051) 3.486 2.217 ( 1.374 -3.155 -0.174) 3.446 2.344 ( 4.173 3.113 1.840) 5.522 2.408 ( 2.701 1.061 -1.038) 3.082 2.438 ( 1.054 -2.188 1.507) 2.858 2.555 ( 8.173 -3.278 3.654) 9.534 2.919 ( 3.102 10.589 -2.171) 11.246 3.129 ( 2.204 1.238 0.123) 2.530 3.306 ( -0.424 0.505 -1.333) 1.488 3.594 ( -3.070 5.547 -0.444) 6.356 3.736 ( -1.196 -1.911 0.776) 2.385 3.757 ( -0.742 -2.498 -4.201) 4.944 3.926 ( 0.178 -0.712 -0.603) 0.950 4.203 ( -0.396 5.295 -2.167) 5.735 4.305 ( 0.599 4.358 1.225) 4.566 4.399 ( -3.296 -0.300 3.395) 4.742 4.561 ( 1.722 0.058 0.237) 1.739 4.624 ( 3.016 4.949 -0.798) 5.850 5.036 ( 0.186 -10.095 -0.766) 10.126 5.283 ( -1.453 -5.788 2.011) 6.297 5.446 ( -1.565 7.310 -0.480) 7.491 5.625 ( -2.232 -0.191 0.382) 2.273 5.878 ( 4.471 1.200 -2.109) 5.087 5.901 ( -2.258 -2.932 3.006) 4.768 5.993 ( -2.009 -2.132 -2.375) 3.771 6.223 ( -1.698 -0.495 -1.980) 2.655 6.263 ( -2.970 2.321 -3.287) 5.001 6.413 ( 2.918 1.444 5.409) 6.314 6.728 ( 0.431 -1.744 0.195) 1.807 7.209 ( 1.378 -0.208 -0.450) 1.464 7.254 ( 0.382 3.638 -0.390) 3.679 7.391 ( -2.131 -5.781 -0.062) 6.162 7.410 ( -0.483 -5.335 1.101) 5.469 11.701 ( -3.207 -0.781 -0.275) 3.312 12.214 ( -2.598 0.276 1.639) 3.084 12.370 ( 2.724 0.085 0.386) 2.753 12.380 ( 2.447 0.439 -1.607) 2.961 13.991 ( -0.782 -0.222 0.135) 0.824 14.055 ( -0.172 -1.519 0.085) 1.531 14.553 ( 1.036 1.492 -0.103) 1.819 14.779 ( -0.327 2.796 -0.342) 2.836 16.773 ( -2.255 0.880 1.487) 2.841 16.850 ( 0.472 -0.768 -1.424) 1.685 17.094 ( 0.113 -0.732 -0.064) 0.744 17.454 ( -0.189 1.353 0.278) 1.394 17.472 ( -1.334 1.072 0.695) 1.847 17.566 ( -0.859 -0.652 -1.678) 1.995 17.619 ( -0.144 -0.637 1.048) 1.235 17.824 ( -1.346 1.055 0.195) 1.721 19.220 ( 3.228 0.705 -0.196) 3.310 19.435 ( 1.107 0.746 -0.297) 1.367 19.510 ( -1.066 -1.422 -0.090) 1.779 19.717 ( -0.814 -2.715 -0.029) 2.834 28.147 ( 0.627 -1.647 0.463) 1.823 28.305 ( -2.965 -0.772 -0.501) 3.105 28.715 ( 2.346 0.591 0.902) 2.582 28.821 ( -1.396 -2.081 -0.655) 2.590 29.581 ( 0.647 -1.209 -0.237) 1.391 29.768 ( 1.427 0.834 0.382) 1.696 30.045 ( -0.550 -1.513 -0.474) 1.678 30.581 ( -0.250 -3.241 0.311) 3.266 32.061 ( 0.902 3.550 -0.104) 3.664 32.682 ( 7.082 5.761 -0.145) 9.131 33.211 ( -1.241 12.586 0.469) 12.656 35.286 ( -6.986 11.239 4.238) 13.895 35.614 ( 0.692 -4.846 1.445) 5.103 35.748 ( 0.955 -4.010 -4.522) 6.119 35.842 ( 0.993 1.882 -2.594) 3.355 36.193 ( -3.213 -12.648 0.916) 13.082 ======================= Grid point 30 (19/132) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 3.025 6.436 1.993) 7.385 1.687 ( -6.566 12.556 -2.427) 14.375 1.926 ( 2.040 5.644 0.743) 6.047 1.996 ( -1.876 -2.008 1.645) 3.203 2.260 ( 2.729 -2.245 0.088) 3.535 2.404 ( 1.382 -0.239 0.567) 1.512 2.443 ( 0.073 -2.317 1.216) 2.617 2.488 ( 4.630 6.754 0.541) 8.206 2.729 ( 7.838 -0.916 3.496) 8.631 2.975 ( 2.349 6.273 -1.780) 6.931 3.196 ( 4.829 3.640 -0.259) 6.053 3.289 ( -0.915 -0.315 -1.749) 1.999 3.508 ( -5.741 3.718 -0.091) 6.840 3.674 ( -3.023 1.439 -2.682) 4.290 3.760 ( 0.097 -6.676 -1.429) 6.828 3.932 ( 0.590 -1.971 -0.782) 2.201 4.197 ( -0.171 5.710 -1.031) 5.805 4.297 ( -1.277 1.242 -0.079) 1.783 4.363 ( -0.952 1.361 3.589) 3.955 4.589 ( 1.180 -1.654 0.323) 2.058 4.698 ( 4.251 6.568 -0.589) 7.846 5.041 ( 0.852 -6.367 -0.996) 6.501 5.285 ( 0.592 -5.937 3.140) 6.742 5.377 ( -4.694 2.442 -1.379) 5.468 5.603 ( -0.146 5.272 0.058) 5.274 5.852 ( -2.976 -1.561 2.404) 4.132 5.927 ( 0.228 -4.437 -2.884) 5.297 5.981 ( 2.043 -0.115 -1.090) 2.318 6.166 ( -2.912 1.539 -3.592) 4.874 6.213 ( -2.558 -0.448 1.214) 2.867 6.463 ( 1.495 0.890 3.159) 3.606 6.740 ( 0.692 -1.688 0.098) 1.827 7.239 ( 1.573 -0.258 -0.424) 1.649 7.258 ( 0.226 4.028 -1.104) 4.183 7.346 ( -2.255 -2.935 1.327) 3.932 7.408 ( 0.040 -3.986 0.282) 3.997 11.638 ( -2.772 -0.510 -0.223) 2.827 12.174 ( -1.724 0.095 1.096) 2.045 12.412 ( 1.545 0.667 -0.404) 1.730 12.428 ( 2.315 -0.274 -0.330) 2.354 13.975 ( -0.765 -0.412 0.144) 0.880 14.052 ( -0.158 -1.608 0.083) 1.618 14.574 ( 1.007 1.387 -0.107) 1.717 14.771 ( -0.337 3.098 -0.340) 3.134 16.733 ( -1.827 0.993 1.021) 2.316 16.852 ( 0.057 -0.588 -0.937) 1.107 17.096 ( 0.113 -0.977 -0.073) 0.986 17.445 ( -1.082 1.051 0.337) 1.545 17.452 ( -0.281 1.199 0.477) 1.321 17.543 ( -1.090 0.967 -1.034) 1.786 17.619 ( 0.007 -2.115 0.547) 2.185 17.798 ( -1.184 0.629 0.181) 1.353 19.296 ( 4.401 1.002 -0.205) 4.518 19.453 ( 0.003 -0.481 -0.548) 0.729 19.484 ( -1.101 -1.879 0.194) 2.186 19.699 ( -0.959 -0.859 -0.029) 1.287 28.162 ( 0.662 -2.012 0.482) 2.173 28.249 ( -2.350 -0.687 -0.374) 2.477 28.758 ( 1.643 0.577 1.121) 2.071 28.791 ( -1.309 -1.935 -1.013) 2.547 29.595 ( 0.709 -1.303 -0.248) 1.504 29.798 ( 1.417 1.105 0.426) 1.846 30.032 ( -0.579 -1.877 -0.519) 2.032 30.576 ( -0.322 -3.293 0.305) 3.322 32.080 ( 0.934 3.689 -0.112) 3.807 32.842 ( 8.355 5.127 -0.220) 9.805 33.185 ( -1.288 12.439 0.486) 12.515 35.104 ( -10.630 21.328 3.437) 24.077 35.660 ( 2.997 -3.561 0.522) 4.684 35.760 ( 0.654 -7.055 -1.911) 7.338 35.873 ( 3.194 -3.248 -4.530) 6.424 36.114 ( -4.994 -13.181 2.048) 14.243 ======================= Grid point 31 (20/132) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -0.000 4.290 -0.000) 4.290 1.583 ( 0.000 14.643 0.000) 14.643 1.956 ( -0.000 6.090 0.000) 6.090 1.970 ( 0.000 -3.383 -0.000) 3.383 2.293 ( 0.000 0.845 0.000) 0.845 2.412 ( 0.000 -8.503 0.000) 8.503 2.446 ( 0.000 1.836 -0.000) 1.836 2.540 ( 0.000 9.335 0.000) 9.335 2.818 ( 0.000 -0.806 0.000) 0.806 2.992 ( 0.000 5.506 -0.000) 5.506 3.273 ( 0.000 6.954 0.000) 6.954 3.273 ( -0.000 -0.928 -0.000) 0.928 3.422 ( 0.000 0.307 0.000) 0.307 3.640 ( 0.000 1.972 0.000) 1.972 3.757 ( 0.000 -7.655 -0.000) 7.655 3.939 ( 0.000 -2.624 0.000) 2.624 4.192 ( 0.000 5.677 0.000) 5.677 4.283 ( 0.000 -0.984 -0.000) 0.984 4.359 ( 0.000 3.298 0.000) 3.298 4.602 ( 0.000 -2.213 -0.000) 2.213 4.746 ( 0.000 6.991 0.000) 6.991 5.057 ( 0.000 -3.957 0.000) 3.957 5.278 ( 0.000 1.884 -0.000) 1.884 5.335 ( 0.000 -8.308 -0.000) 8.308 5.603 ( 0.000 7.972 0.000) 7.972 5.821 ( 0.000 -1.306 0.000) 1.306 5.922 ( 0.000 -8.457 -0.000) 8.457 6.010 ( 0.000 1.929 0.000) 1.929 6.127 ( 0.000 2.365 0.000) 2.365 6.185 ( 0.000 -1.055 0.000) 1.055 6.480 ( 0.000 0.641 -0.000) 0.641 6.748 ( 0.000 -1.631 0.000) 1.631 7.256 ( 0.000 -0.228 0.000) 0.228 7.259 ( 0.000 4.082 0.000) 4.082 7.323 ( 0.000 -1.145 -0.000) 1.145 7.410 ( 0.000 -3.740 -0.000) 3.740 11.610 ( 0.000 -0.405 -0.000) 0.405 12.158 ( 0.000 0.023 -0.000) 0.023 12.427 ( 0.000 0.877 0.000) 0.877 12.451 ( 0.000 -0.539 0.000) 0.539 13.968 ( 0.000 -0.500 0.000) 0.500 14.050 ( 0.000 -1.656 -0.000) 1.656 14.585 ( 0.000 1.344 0.000) 1.344 14.767 ( 0.000 3.249 0.000) 3.249 16.716 ( 0.000 1.070 0.000) 1.070 16.851 ( 0.000 -0.557 -0.000) 0.557 17.097 ( 0.000 -1.118 0.000) 1.118 17.434 ( 0.000 0.893 0.000) 0.893 17.451 ( 0.000 1.234 -0.000) 1.234 17.530 ( 0.000 1.527 -0.000) 1.527 17.620 ( 0.000 -2.568 0.000) 2.568 17.786 ( 0.000 0.404 0.000) 0.404 19.355 ( 0.000 2.215 0.000) 2.215 19.430 ( 0.000 -2.570 0.000) 2.570 19.482 ( 0.000 -1.872 0.000) 1.872 19.688 ( 0.000 0.244 0.000) 0.244 28.169 ( 0.000 -2.203 0.000) 2.203 28.226 ( 0.000 -0.656 0.000) 0.656 28.772 ( 0.000 -1.768 0.000) 1.768 28.780 ( 0.000 0.516 -0.000) 0.516 29.602 ( 0.000 -1.358 0.000) 1.358 29.813 ( 0.000 1.273 -0.000) 1.273 30.025 ( 0.000 -2.106 0.000) 2.106 30.572 ( 0.000 -3.293 0.000) 3.293 32.090 ( 0.000 3.762 -0.000) 3.762 32.934 ( 0.000 4.537 0.000) 4.537 33.172 ( 0.000 12.411 -0.000) 12.411 34.989 ( 0.000 24.272 -0.000) 24.272 35.693 ( 0.000 -1.123 0.000) 1.123 35.763 ( 0.000 -5.713 0.000) 5.713 35.922 ( 0.000 -8.079 0.000) 8.079 36.047 ( 0.000 -13.585 -0.000) 13.585 ======================= Grid point 35 (21/132) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.153 ( 0.000 -0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 -0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.558 ( 0.000 0.000 0.000) 0.000 14.809 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 17.086 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.851 ( 0.000 0.000 0.000) 0.000 19.194 ( 0.000 0.000 0.000) 0.000 19.437 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 28.126 ( 0.000 0.000 0.000) 0.000 28.330 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.816 ( 0.000 0.000 0.000) 0.000 29.563 ( 0.000 0.000 0.000) 0.000 29.760 ( 0.000 0.000 0.000) 0.000 30.038 ( 0.000 0.000 0.000) 0.000 30.550 ( 0.000 0.000 0.000) 0.000 32.087 ( 0.000 0.000 0.000) 0.000 32.670 ( 0.000 0.000 0.000) 0.000 33.352 ( 0.000 0.000 0.000) 0.000 35.367 ( 0.000 0.000 0.000) 0.000 35.577 ( 0.000 0.000 0.000) 0.000 35.733 ( 0.000 0.000 0.000) 0.000 35.948 ( 0.000 0.000 0.000) 0.000 36.036 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 37 (22/132) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.482 0.000 1.512) 2.117 1.909 ( -2.117 0.000 0.476) 2.170 1.965 ( -1.245 0.000 0.426) 1.315 2.076 ( -4.261 0.000 -2.190) 4.791 2.157 ( -0.009 0.000 -0.155) 0.155 2.396 ( 1.496 0.000 1.832) 2.365 2.411 ( 1.923 -0.000 -0.557) 2.002 2.424 ( 7.820 0.000 1.831) 8.032 2.495 ( 8.954 0.000 3.229) 9.518 3.037 ( 0.731 0.000 -1.455) 1.629 3.162 ( 3.991 0.000 -2.544) 4.733 3.295 ( -1.280 0.000 0.388) 1.338 3.647 ( -1.344 0.000 1.434) 1.965 3.680 ( -2.612 0.000 -0.523) 2.664 3.750 ( -2.376 0.000 -4.126) 4.761 3.914 ( -0.261 0.000 -0.991) 1.024 4.256 ( -0.230 0.000 -2.018) 2.031 4.351 ( 1.308 0.000 2.217) 2.575 4.389 ( -5.105 0.000 1.681) 5.374 4.568 ( 1.598 0.000 0.833) 1.802 4.740 ( 3.373 0.000 -1.485) 3.685 4.875 ( 1.719 0.000 0.484) 1.786 5.215 ( -2.207 0.000 2.376) 3.243 5.538 ( -4.609 0.000 0.591) 4.647 5.605 ( 2.476 0.000 -1.059) 2.693 5.865 ( -1.627 0.000 3.134) 3.531 5.898 ( 4.457 0.000 -1.829) 4.817 5.974 ( -4.131 0.000 -3.523) 5.429 6.234 ( -0.820 0.000 1.306) 1.542 6.285 ( -3.997 0.000 -6.009) 7.216 6.436 ( 2.333 0.000 5.716) 6.174 6.706 ( 0.468 0.000 0.386) 0.606 7.211 ( 0.998 0.000 -0.518) 1.124 7.299 ( 0.359 0.000 -3.150) 3.170 7.314 ( 0.775 0.000 3.645) 3.726 7.351 ( -0.620 0.000 -0.058) 0.623 11.693 ( -3.046 0.000 -0.307) 3.062 12.217 ( -2.708 0.000 1.736) 3.217 12.371 ( 2.500 0.000 0.355) 2.525 12.384 ( 2.608 0.000 -1.691) 3.108 13.989 ( -0.895 0.000 0.146) 0.907 14.039 ( -0.200 0.000 0.075) 0.213 14.568 ( 0.967 0.000 -0.049) 0.969 14.807 ( -0.195 0.000 -0.320) 0.375 16.782 ( -2.253 0.000 1.715) 2.832 16.843 ( 0.632 0.000 -1.641) 1.758 17.086 ( 0.013 0.000 -0.104) 0.105 17.469 ( -0.187 0.000 0.320) 0.370 17.483 ( -1.390 0.000 0.688) 1.551 17.555 ( 0.079 0.000 -1.564) 1.566 17.616 ( -1.022 0.000 0.870) 1.342 17.834 ( -1.554 0.000 0.203) 1.568 19.227 ( 3.241 0.000 -0.160) 3.245 19.443 ( 0.671 0.000 -0.288) 0.730 19.496 ( -1.314 0.000 -0.013) 1.314 19.689 ( 0.073 0.000 0.022) 0.077 28.131 ( 0.484 0.000 0.320) 0.580 28.297 ( -2.886 0.000 -0.533) 2.935 28.721 ( 2.432 0.000 0.706) 2.532 28.800 ( -1.458 0.000 -0.441) 1.523 29.569 ( 0.614 0.000 -0.332) 0.698 29.776 ( 1.532 0.000 0.543) 1.625 30.030 ( -0.691 0.000 -0.530) 0.871 30.547 ( -0.286 0.000 0.254) 0.383 32.097 ( 0.969 0.000 -0.119) 0.976 32.739 ( 6.825 0.000 -0.117) 6.826 33.339 ( -1.318 0.000 0.517) 1.416 35.424 ( 5.838 0.000 -1.393) 6.002 35.536 ( -5.577 0.000 4.473) 7.150 35.706 ( -1.793 0.000 -2.042) 2.718 35.922 ( -1.673 0.000 -2.280) 2.828 36.006 ( -3.190 -0.000 0.828) 3.296 ======================= Grid point 39 (23/132) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.069 0.000 2.249) 3.805 1.835 ( -4.924 0.000 -1.410) 5.122 1.941 ( -1.133 0.000 0.335) 1.181 2.032 ( -0.672 0.000 -0.273) 0.725 2.196 ( 3.793 0.000 -0.385) 3.812 2.364 ( -3.278 0.000 1.933) 3.805 2.447 ( 1.749 0.000 -0.156) 1.756 2.630 ( 9.869 0.000 2.533) 10.189 2.652 ( 6.119 -0.000 2.118) 6.475 3.048 ( 0.617 0.000 -1.493) 1.616 3.264 ( 7.148 0.000 -3.073) 7.781 3.268 ( -1.372 0.000 0.445) 1.442 3.584 ( -7.397 0.000 -0.555) 7.418 3.620 ( -1.482 0.000 1.831) 2.356 3.691 ( -2.418 0.000 -4.509) 5.117 3.909 ( 0.068 0.000 -1.296) 1.298 4.255 ( 0.338 0.000 -1.296) 1.339 4.300 ( -4.008 0.000 1.747) 4.372 4.377 ( 0.911 0.000 1.495) 1.750 4.591 ( 0.647 0.000 1.124) 1.297 4.826 ( 5.513 0.000 -1.897) 5.830 4.916 ( 2.178 0.000 0.550) 2.246 5.206 ( 0.934 0.000 2.148) 2.342 5.410 ( -8.007 0.000 0.651) 8.033 5.659 ( 3.002 0.000 -1.191) 3.229 5.833 ( -2.241 0.000 4.959) 5.442 5.883 ( -3.924 0.000 -4.936) 6.306 5.984 ( 4.171 0.000 -1.752) 4.524 6.201 ( -3.430 0.000 -3.645) 5.005 6.203 ( -2.513 -0.000 1.796) 3.088 6.478 ( 1.229 0.000 3.101) 3.336 6.719 ( 0.721 0.000 0.268) 0.769 7.236 ( 1.446 0.000 -0.627) 1.576 7.300 ( 0.242 0.000 -1.389) 1.410 7.337 ( 0.863 -0.000 1.828) 2.021 7.337 ( -0.752 0.000 0.040) 0.753 11.633 ( -2.659 0.000 -0.261) 2.672 12.175 ( -1.804 0.000 1.165) 2.148 12.420 ( 2.105 0.000 0.306) 2.127 12.425 ( 1.706 0.000 -1.120) 2.041 13.971 ( -0.861 0.000 0.152) 0.874 14.035 ( -0.199 0.000 0.074) 0.212 14.588 ( 0.951 0.000 -0.055) 0.952 14.802 ( -0.205 0.000 -0.317) 0.378 16.745 ( -1.736 0.000 1.090) 2.049 16.847 ( 0.100 0.000 -1.012) 1.017 17.086 ( -0.013 0.000 -0.101) 0.102 17.456 ( -1.296 0.000 0.485) 1.383 17.465 ( -0.175 0.000 0.317) 0.362 17.551 ( -0.166 0.000 -1.405) 1.415 17.599 ( -0.781 0.000 0.910) 1.199 17.804 ( -1.436 0.000 0.192) 1.449 19.304 ( 4.589 0.000 -0.206) 4.594 19.457 ( 0.692 -0.000 -0.280) 0.747 19.458 ( -2.732 0.000 0.038) 2.732 19.690 ( 0.009 0.000 0.023) 0.024 28.142 ( 0.516 0.000 0.336) 0.616 28.242 ( -2.309 0.000 -0.411) 2.345 28.766 ( 1.849 0.000 0.588) 1.941 28.769 ( -1.426 0.000 -0.446) 1.494 29.581 ( 0.656 0.000 -0.341) 0.740 29.810 ( 1.557 0.000 0.625) 1.678 30.014 ( -0.769 0.000 -0.623) 0.989 30.541 ( -0.327 0.000 0.257) 0.416 32.118 ( 1.006 0.000 -0.127) 1.014 32.892 ( 7.863 0.000 -0.157) 7.864 33.312 ( -1.338 0.000 0.511) 1.432 35.384 ( -9.307 0.000 3.186) 9.837 35.562 ( 8.266 0.000 -1.995) 8.504 35.686 ( -0.138 0.000 -1.314) 1.321 35.897 ( -0.616 0.000 -1.681) 1.790 35.921 ( -5.679 -0.000 1.448) 5.861 ======================= Grid point 41 (24/132) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 -0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 -0.000) 0.000 2.465 ( 0.000 0.000 -0.000) 0.000 2.714 ( 0.000 -0.000 -0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 -0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 -0.000) 0.000 3.422 ( -0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 -0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 -0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 0.000 -0.000) 0.000 5.243 ( 0.000 0.000 -0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 -0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 -0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 -0.000) 0.000 12.158 ( 0.000 0.000 -0.000) 0.000 12.440 ( 0.000 -0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.799 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 -0.000) 0.000 17.086 ( 0.000 0.000 0.000) 0.000 17.443 ( 0.000 0.000 -0.000) 0.000 17.464 ( 0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.592 ( 0.000 0.000 0.000) 0.000 17.789 ( 0.000 0.000 0.000) 0.000 19.378 ( -0.000 0.000 -0.000) 0.000 19.403 ( 0.000 0.000 0.000) 0.000 19.464 ( 0.000 0.000 -0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 28.148 ( 0.000 0.000 0.000) 0.000 28.219 ( 0.000 0.000 0.000) 0.000 28.754 ( 0.000 0.000 0.000) 0.000 28.785 ( 0.000 0.000 -0.000) 0.000 29.588 ( 0.000 0.000 0.000) 0.000 29.827 ( 0.000 0.000 -0.000) 0.000 30.005 ( 0.000 0.000 0.000) 0.000 30.538 ( 0.000 0.000 0.000) 0.000 32.128 ( 0.000 0.000 0.000) 0.000 32.978 ( 0.000 0.000 0.000) 0.000 33.299 ( 0.000 0.000 -0.000) 0.000 35.283 ( 0.000 0.000 -0.000) 0.000 35.672 ( 0.000 -0.000 0.000) 0.000 35.685 ( 0.000 0.000 0.000) 0.000 35.838 ( 0.000 0.000 -0.000) 0.000 35.890 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 77 (25/132) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 13.240 0.000 19.350) 23.446 0.462 ( 0.510 0.000 23.926) 23.931 0.730 ( -4.441 0.000 37.532) 37.794 1.729 ( 1.995 0.000 6.758) 7.046 1.775 ( -2.620 0.000 -6.159) 6.693 1.994 ( -0.999 0.000 -3.875) 4.002 2.361 ( -0.902 0.000 0.517) 1.040 2.430 ( 1.824 0.000 -0.630) 1.930 2.608 ( 0.881 0.000 -1.749) 1.958 2.655 ( 4.898 0.000 -3.441) 5.986 2.961 ( 4.456 0.000 -3.056) 5.403 3.238 ( 0.186 0.000 4.920) 4.923 3.358 ( -3.362 0.000 5.577) 6.511 3.621 ( -0.896 0.000 -3.433) 3.548 3.690 ( -0.647 0.000 1.312) 1.462 3.781 ( -2.642 0.000 0.639) 2.718 3.984 ( -0.159 0.000 -4.743) 4.746 4.062 ( 0.550 0.000 1.763) 1.847 4.253 ( -0.927 0.000 3.694) 3.808 4.779 ( 14.095 0.000 -4.658) 14.845 5.147 ( -1.400 0.000 0.758) 1.592 5.275 ( 10.043 0.000 0.611) 10.062 5.314 ( 0.335 0.000 -1.855) 1.885 5.489 ( -1.302 0.000 1.791) 2.214 5.593 ( 1.539 0.000 -0.391) 1.588 5.830 ( 0.502 0.000 -1.640) 1.715 6.007 ( -1.270 0.000 2.380) 2.698 6.126 ( 2.955 0.000 -1.713) 3.415 6.351 ( 2.009 0.000 -2.168) 2.956 6.540 ( -0.763 0.000 1.389) 1.584 6.565 ( -58.364 0.000 -0.129) 58.364 6.639 ( 0.589 0.000 -1.848) 1.939 6.754 ( -0.939 0.000 -2.450) 2.624 7.102 ( 1.701 0.000 -3.658) 4.034 7.147 ( 1.575 0.000 5.431) 5.655 7.791 ( 14.921 0.000 -4.337) 15.538 11.840 ( -0.281 0.000 1.571) 1.596 12.174 ( -0.460 0.000 -2.728) 2.767 12.303 ( 0.658 0.000 0.453) 0.799 12.334 ( 0.112 0.000 0.419) 0.433 14.033 ( 0.033 0.000 0.116) 0.121 14.138 ( 0.335 0.000 -2.463) 2.485 14.250 ( -0.486 0.000 3.202) 3.238 14.481 ( 0.122 0.000 -0.840) 0.849 17.022 ( 0.070 0.000 2.493) 2.494 17.140 ( -0.333 0.000 -0.165) 0.371 17.204 ( -18.166 0.000 -0.804) 18.184 17.349 ( 0.557 0.000 -1.273) 1.389 17.350 ( 10.935 0.000 0.384) 10.942 17.500 ( -0.877 0.000 -1.417) 1.667 17.696 ( 0.031 0.000 1.067) 1.067 17.720 ( 0.663 0.000 0.745) 0.997 19.147 ( -1.311 0.000 0.520) 1.411 19.280 ( -6.971 0.000 -0.869) 7.024 19.661 ( 0.626 0.000 0.689) 0.931 19.722 ( -0.933 0.000 0.013) 0.933 28.367 ( -0.311 0.000 0.249) 0.398 28.599 ( 20.266 0.000 -2.590) 20.430 28.647 ( 0.125 0.000 2.524) 2.527 29.047 ( -0.931 0.000 -2.391) 2.566 29.758 ( -1.528 0.000 3.230) 3.573 30.337 ( -0.616 0.000 -5.061) 5.098 30.824 ( -0.192 0.000 3.767) 3.772 31.237 ( 60.057 0.000 -3.358) 60.151 31.775 ( 7.006 0.000 0.854) 7.058 31.848 ( 30.087 0.000 5.099) 30.516 31.898 ( -0.316 0.000 -0.843) 0.900 32.166 ( -0.064 0.000 0.022) 0.067 35.762 (-103.381 0.000 0.367) 103.381 35.856 ( 4.254 0.000 -1.247) 4.433 36.139 ( -3.218 0.000 4.630) 5.638 36.944 ( 3.564 0.000 -5.516) 6.568 ======================= Grid point 78 (26/132) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 10.852 0.000 22.814) 25.264 0.773 ( 21.935 0.000 15.567) 26.898 0.914 ( 21.845 0.000 18.886) 28.877 1.717 ( -3.907 0.000 10.273) 10.990 1.813 ( 7.426 0.000 -8.739) 11.468 2.010 ( 3.609 0.000 -4.798) 6.004 2.289 ( -6.556 0.000 0.060) 6.556 2.441 ( -0.845 0.000 0.674) 1.081 2.580 ( -3.344 0.000 -0.905) 3.465 2.718 ( 2.045 0.000 -0.977) 2.266 3.098 ( 5.782 0.000 -14.687) 15.784 3.235 ( -5.568 0.000 4.938) 7.442 3.281 ( 0.003 0.000 3.109) 3.109 3.678 ( 6.161 0.000 -2.625) 6.697 3.690 ( -1.347 0.000 1.296) 1.869 3.749 ( -0.110 0.000 -0.106) 0.153 3.997 ( 2.463 0.000 -5.093) 5.658 4.082 ( 1.183 0.000 1.933) 2.267 4.238 ( -1.285 0.000 2.644) 2.939 4.652 ( -21.422 0.000 20.344) 29.543 5.095 ( -0.800 0.000 -2.899) 3.007 5.281 ( -4.764 0.000 5.713) 7.439 5.293 ( -2.205 0.000 -0.713) 2.318 5.440 ( -3.638 0.000 1.452) 3.917 5.635 ( 2.580 0.000 -0.180) 2.586 5.737 ( -3.966 0.000 1.318) 4.179 5.882 ( -0.543 0.000 3.121) 3.168 5.979 ( -1.534 0.000 1.383) 2.066 6.369 ( -0.183 0.000 -3.804) 3.809 6.418 ( 7.638 0.000 -9.618) 12.282 6.523 ( -1.188 0.000 3.420) 3.620 6.673 ( 2.206 0.000 -0.559) 2.276 6.761 ( 2.232 0.000 -2.275) 3.187 7.105 ( -0.343 0.000 -2.664) 2.686 7.170 ( -0.495 0.000 6.460) 6.479 8.039 ( 9.051 0.000 -16.575) 18.885 11.779 ( -5.292 0.000 1.684) 5.553 12.147 ( -1.031 0.000 -3.968) 4.099 12.343 ( 0.554 0.000 0.957) 1.106 12.367 ( 4.843 0.000 0.718) 4.896 14.032 ( -0.055 0.000 0.301) 0.306 14.141 ( 0.376 0.000 -2.426) 2.455 14.246 ( -0.520 0.000 3.130) 3.172 14.481 ( 0.053 0.000 -0.820) 0.822 16.904 ( -7.739 0.000 7.364) 10.682 17.046 ( -0.407 0.000 3.902) 3.923 17.125 ( -0.939 0.000 -0.450) 1.042 17.361 ( 0.581 0.000 -0.934) 1.100 17.430 ( 0.899 0.000 -0.788) 1.196 17.467 ( -1.734 0.000 -1.959) 2.616 17.697 ( -0.165 0.000 1.030) 1.043 17.744 ( 1.425 0.000 0.945) 1.710 19.142 ( 0.800 0.000 -0.346) 0.871 19.398 ( 8.964 0.000 -5.545) 10.541 19.670 ( 0.061 0.000 1.397) 1.398 19.726 ( 1.481 0.000 -0.929) 1.749 28.340 ( -2.195 0.000 -0.229) 2.207 28.658 ( 0.352 0.000 2.854) 2.876 28.775 ( 1.538 0.000 -7.932) 8.080 29.033 ( 0.198 0.000 -3.372) 3.378 29.743 ( -0.672 0.000 3.037) 3.110 30.336 ( 1.498 0.000 -5.561) 5.759 30.811 ( -1.726 0.000 3.252) 3.682 31.035 ( -38.124 0.000 27.616) 47.076 31.790 ( -0.199 0.000 2.326) 2.334 31.893 ( 0.062 0.000 -1.179) 1.180 32.071 ( -17.907 0.000 15.139) 23.449 32.165 ( 0.031 0.000 -0.123) 0.127 35.611 ( 49.715 0.000 -38.451) 62.849 35.935 ( 2.725 0.000 3.535) 4.463 36.092 ( -1.577 0.000 1.439) 2.135 36.998 ( 3.075 0.000 -3.160) 4.409 ======================= Grid point 79 (27/132) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 8.711 0.000 15.785) 18.029 1.200 ( 18.161 0.000 10.272) 20.864 1.358 ( 16.066 0.000 8.145) 18.013 1.621 ( -6.438 0.000 11.077) 12.812 1.977 ( 9.702 0.000 -8.398) 12.832 2.109 ( 7.135 0.000 -4.231) 8.295 2.133 ( -8.519 0.000 -0.488) 8.533 2.399 ( -3.399 0.000 1.110) 3.575 2.492 ( -5.345 0.000 -0.452) 5.364 2.724 ( -1.581 0.000 -2.492) 2.951 3.073 ( -5.568 0.000 -9.984) 11.431 3.142 ( -2.708 0.000 3.064) 4.089 3.316 ( 1.368 0.000 5.865) 6.023 3.635 ( -1.692 0.000 1.163) 2.053 3.790 ( 2.816 0.000 0.825) 2.935 3.801 ( 6.416 0.000 -3.203) 7.171 4.055 ( 4.184 0.000 -3.602) 5.521 4.105 ( 0.436 0.000 2.118) 2.162 4.205 ( -2.870 0.000 1.745) 3.359 4.368 ( -11.944 0.000 20.376) 23.618 5.097 ( 0.984 0.000 -4.512) 4.618 5.243 ( -2.404 0.000 0.659) 2.492 5.276 ( 1.911 0.000 1.168) 2.239 5.370 ( -3.647 0.000 1.752) 4.046 5.681 ( 2.102 0.000 -1.018) 2.336 5.702 ( -0.961 0.000 -1.950) 2.174 5.887 ( -0.031 0.000 2.108) 2.108 5.963 ( -0.302 0.000 0.869) 0.919 6.334 ( -1.980 0.000 -5.774) 6.104 6.504 ( 3.747 0.000 -8.950) 9.703 6.512 ( -0.791 0.000 4.999) 5.062 6.719 ( 2.635 0.000 1.192) 2.893 6.821 ( 3.997 0.000 -1.886) 4.420 7.100 ( 0.741 0.000 -3.288) 3.370 7.146 ( -3.218 0.000 6.491) 7.245 8.107 ( 2.058 0.000 -13.406) 13.563 11.685 ( -4.204 0.000 1.939) 4.630 12.124 ( -0.519 0.000 -4.888) 4.915 12.357 ( 0.599 0.000 1.435) 1.554 12.450 ( 3.193 0.000 0.320) 3.209 14.033 ( 0.075 0.000 0.281) 0.291 14.143 ( 0.267 0.000 -2.306) 2.321 14.243 ( -0.335 0.000 3.054) 3.073 14.481 ( 0.018 0.000 -0.854) 0.855 16.850 ( -0.452 0.000 4.150) 4.174 17.042 ( -0.842 0.000 3.678) 3.774 17.111 ( -0.326 0.000 -0.400) 0.516 17.357 ( -0.713 0.000 -1.390) 1.562 17.434 ( -0.074 0.000 -0.280) 0.289 17.446 ( -0.053 0.000 -1.525) 1.526 17.697 ( -0.018 0.000 0.766) 0.766 17.767 ( 0.661 0.000 0.699) 0.962 19.171 ( 2.063 0.000 -0.215) 2.074 19.497 ( 3.382 0.000 -3.650) 4.976 19.667 ( -0.701 0.000 1.823) 1.953 19.763 ( 2.018 0.000 -0.779) 2.164 28.298 ( -1.772 0.000 -0.569) 1.861 28.666 ( -0.082 0.000 2.884) 2.885 28.727 ( -3.865 0.000 -8.278) 9.136 29.037 ( 0.723 0.000 -3.211) 3.291 29.740 ( -0.346 0.000 3.630) 3.647 30.370 ( 2.828 0.000 -5.624) 6.295 30.469 ( -24.977 0.000 32.131) 40.697 30.777 ( -2.122 0.000 3.015) 3.687 31.790 ( -0.232 0.000 2.267) 2.279 31.894 ( -5.367 0.000 6.786) 8.652 31.896 ( 0.432 0.000 -1.154) 1.232 32.166 ( 0.083 0.000 -0.060) 0.103 35.930 ( -3.361 0.000 3.812) 5.082 36.116 ( 3.133 0.000 1.577) 3.507 36.271 ( 26.860 0.000 -35.287) 44.346 37.055 ( 3.476 0.000 -1.248) 3.693 ======================= Grid point 80 (28/132) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 3.554 0.000 12.990) 13.468 1.318 ( -11.843 0.000 -1.193) 11.903 1.385 ( -3.401 0.000 7.234) 7.994 1.658 ( -1.209 0.000 13.408) 13.462 2.032 ( 2.096 0.000 1.030) 2.336 2.128 ( 5.213 0.000 -4.968) 7.202 2.229 ( 3.909 0.000 -1.859) 4.328 2.341 ( -2.047 0.000 -0.686) 2.159 2.406 ( -1.773 0.000 -1.762) 2.500 2.634 ( -6.278 0.000 -7.190) 9.545 2.942 ( -2.928 0.000 -7.522) 8.071 3.160 ( 2.993 0.000 5.524) 6.282 3.338 ( -0.320 0.000 6.531) 6.539 3.675 ( 4.906 0.000 3.076) 5.790 3.823 ( -0.080 0.000 1.735) 1.737 3.875 ( 1.174 0.000 -4.874) 5.013 4.101 ( -0.970 0.000 1.212) 1.552 4.123 ( 0.620 0.000 -0.512) 0.805 4.154 ( 0.366 0.000 1.336) 1.385 4.225 ( -6.992 0.000 13.290) 15.017 5.100 ( -0.063 0.000 -4.178) 4.178 5.218 ( -0.364 0.000 0.608) 0.709 5.314 ( 1.145 0.000 0.408) 1.215 5.335 ( 0.223 0.000 2.502) 2.512 5.694 ( -0.748 0.000 -2.190) 2.314 5.706 ( 2.129 0.000 -1.531) 2.623 5.886 ( -0.331 0.000 2.342) 2.365 5.969 ( 0.660 0.000 1.218) 1.385 6.300 ( -0.192 0.000 -5.653) 5.656 6.512 ( -0.074 0.000 4.718) 4.719 6.546 ( 2.438 0.000 -6.512) 6.954 6.781 ( 3.489 0.000 3.330) 4.822 6.885 ( 2.410 0.000 -2.102) 3.198 7.082 ( -3.957 0.000 5.704) 6.942 7.126 ( 2.533 0.000 -3.284) 4.148 8.093 ( -0.856 0.000 -12.467) 12.496 11.644 ( -0.240 0.000 1.981) 1.995 12.113 ( 0.364 0.000 -4.904) 4.918 12.366 ( 0.038 0.000 1.610) 1.610 12.477 ( -0.497 0.000 -0.243) 0.553 14.034 ( -0.025 0.000 0.270) 0.271 14.142 ( 0.105 0.000 -2.221) 2.223 14.245 ( -0.092 0.000 3.056) 3.058 14.480 ( 0.042 0.000 -0.908) 0.909 16.874 ( 1.873 0.000 4.187) 4.586 17.028 ( -1.223 0.000 3.142) 3.372 17.111 ( 0.304 0.000 -0.146) 0.337 17.345 ( 0.050 0.000 -1.698) 1.699 17.429 ( -0.335 0.000 -0.653) 0.734 17.450 ( 0.584 0.000 -0.992) 1.151 17.699 ( 0.093 0.000 0.819) 0.825 17.769 ( -0.500 0.000 0.301) 0.584 19.207 ( 1.278 0.000 0.793) 1.505 19.544 ( 2.523 0.000 -2.753) 3.734 19.653 ( -0.946 0.000 1.500) 1.774 19.786 ( 0.390 0.000 0.321) 0.505 28.281 ( 0.286 0.000 -0.466) 0.547 28.617 ( -5.734 0.000 -11.637) 12.973 28.665 ( -0.533 0.000 2.649) 2.702 29.047 ( 0.808 0.000 -2.280) 2.419 29.742 ( -0.299 0.000 4.931) 4.940 30.160 ( -13.846 0.000 21.935) 25.939 30.408 ( 1.746 0.000 -5.302) 5.582 30.753 ( -0.663 0.000 3.377) 3.441 31.789 ( -0.279 0.000 1.814) 1.835 31.833 ( -2.590 0.000 3.014) 3.974 31.903 ( 0.450 0.000 -0.824) 0.939 32.168 ( 0.049 0.000 0.147) 0.155 35.861 ( -3.688 0.000 -0.094) 3.690 36.174 ( 1.962 0.000 4.347) 4.769 36.594 ( 14.218 0.000 -22.208) 26.369 37.129 ( 4.447 0.000 -0.315) 4.458 ======================= Grid point 81 (29/132) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -19.870 0.000 7.645) 21.290 1.135 ( -20.868 0.000 7.383) 22.136 1.201 ( -10.237 0.000 7.963) 12.969 1.555 ( -4.472 0.000 12.117) 12.915 2.094 ( -3.654 0.000 -0.337) 3.670 2.181 ( -6.306 0.000 -0.893) 6.368 2.199 ( 6.285 0.000 2.206) 6.661 2.328 ( 1.140 0.000 -2.000) 2.302 2.467 ( 6.145 0.000 -3.172) 6.915 2.533 ( -0.706 0.000 -11.527) 11.549 2.976 ( 5.864 0.000 -12.173) 13.511 3.228 ( 2.031 0.000 5.787) 6.133 3.335 ( -0.675 0.000 7.336) 7.367 3.779 ( -0.181 0.000 1.855) 1.864 3.806 ( 2.297 0.000 6.710) 7.092 3.824 ( -4.763 0.000 -4.182) 6.339 4.076 ( -3.013 0.000 -1.066) 3.197 4.080 ( -1.321 0.000 -0.187) 1.334 4.155 ( -1.130 0.000 12.093) 12.146 4.219 ( 3.028 0.000 2.415) 3.873 5.087 ( -0.295 0.000 -2.973) 2.988 5.234 ( 2.095 0.000 -0.117) 2.099 5.307 ( -1.899 0.000 0.784) 2.054 5.388 ( 4.234 0.000 2.656) 4.998 5.649 ( -3.055 0.000 -2.404) 3.887 5.768 ( 3.765 0.000 -2.009) 4.267 5.898 ( 1.716 0.000 3.579) 3.969 5.989 ( 1.009 0.000 2.084) 2.316 6.304 ( 1.343 0.000 -5.147) 5.320 6.525 ( 0.609 0.000 3.541) 3.593 6.580 ( 2.145 0.000 -4.701) 5.167 6.865 ( 4.719 0.000 4.386) 6.443 6.874 ( -3.279 0.000 -1.162) 3.479 7.058 ( 0.852 0.000 3.774) 3.869 7.174 ( 2.606 0.000 -0.739) 2.709 8.031 ( -3.330 0.000 -15.229) 15.589 11.684 ( 3.902 0.000 1.857) 4.321 12.122 ( 1.440 0.000 -4.252) 4.490 12.363 ( -0.735 0.000 1.582) 1.744 12.433 ( -3.795 0.000 -0.490) 3.827 14.033 ( -0.151 0.000 0.272) 0.311 14.140 ( 0.056 0.000 -2.269) 2.270 14.249 ( -0.058 0.000 3.137) 3.138 14.479 ( 0.106 0.000 -0.931) 0.937 16.935 ( 3.712 0.000 6.794) 7.742 17.012 ( -0.774 0.000 2.522) 2.638 17.121 ( 0.691 0.000 -0.004) 0.691 17.350 ( 0.423 0.000 -1.727) 1.779 17.418 ( -0.657 0.000 -1.668) 1.793 17.466 ( 1.324 0.000 -0.538) 1.429 17.701 ( -0.050 0.000 1.108) 1.109 17.751 ( -1.366 0.000 0.006) 1.366 19.213 ( -0.957 0.000 1.821) 2.058 19.583 ( 1.920 0.000 -4.683) 5.061 19.643 ( -0.212 0.000 0.628) 0.663 19.779 ( -1.173 0.000 0.983) 1.530 28.306 ( 2.099 0.000 -0.026) 2.099 28.468 ( -7.459 0.000 -13.762) 15.653 28.656 ( -0.752 0.000 2.365) 2.482 29.058 ( 0.628 0.000 -1.481) 1.609 29.753 ( 0.615 0.000 7.333) 7.359 29.997 ( -6.847 0.000 17.637) 18.919 30.407 ( -0.821 0.000 -4.765) 4.836 30.768 ( 1.375 0.000 3.820) 4.060 31.780 ( -1.178 0.000 -0.482) 1.273 31.801 ( -1.115 0.000 3.229) 3.416 31.908 ( 0.115 0.000 -0.487) 0.500 32.168 ( -0.045 0.000 0.309) 0.312 35.806 ( -1.540 0.000 -2.988) 3.362 36.199 ( -0.336 0.000 5.662) 5.672 36.770 ( 8.306 0.000 -13.857) 16.156 37.212 ( 3.863 0.000 -4.347) 5.815 ======================= Grid point 82 (30/132) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -22.541 0.000 5.293) 23.154 0.711 ( -23.540 0.000 13.600) 27.187 0.899 ( -18.634 0.000 29.582) 34.962 1.618 ( 5.953 0.000 8.486) 10.366 1.920 ( -10.519 0.000 -2.583) 10.832 2.061 ( -5.221 0.000 -2.501) 5.789 2.323 ( 4.576 0.000 1.502) 4.816 2.377 ( 3.597 0.000 -1.438) 3.874 2.563 ( 4.095 0.000 -2.657) 4.881 2.565 ( 4.883 0.000 -8.500) 9.802 3.008 ( -1.716 0.000 -12.954) 13.067 3.240 ( -1.005 0.000 4.735) 4.840 3.356 ( 0.997 0.000 7.421) 7.488 3.709 ( -6.070 0.000 -3.265) 6.892 3.724 ( -3.042 0.000 1.456) 3.372 3.837 ( -2.463 0.000 3.987) 4.686 4.017 ( -2.440 0.000 -3.094) 3.941 4.059 ( -0.567 0.000 0.666) 0.875 4.255 ( 0.272 0.000 3.647) 3.657 4.334 ( 18.885 0.000 15.920) 24.700 5.094 ( 1.906 0.000 -0.658) 2.016 5.257 ( -3.147 0.000 1.193) 3.366 5.285 ( 2.797 0.000 -1.336) 3.100 5.470 ( 2.961 0.000 2.433) 3.832 5.594 ( -1.704 0.000 -1.527) 2.288 5.813 ( 1.504 0.000 -2.280) 2.731 5.981 ( 6.123 0.000 4.330) 7.499 6.009 ( 0.436 0.000 2.777) 2.811 6.323 ( 1.467 0.000 -3.849) 4.119 6.541 ( 0.338 0.000 1.974) 2.002 6.610 ( 1.813 0.000 -3.377) 3.833 6.800 ( -3.376 0.000 -1.520) 3.703 6.977 ( 6.132 0.000 0.839) 6.189 7.100 ( 2.294 0.000 3.922) 4.543 7.200 ( -1.588 0.000 -1.620) 2.268 7.870 ( -12.129 0.000 -18.474) 22.100 11.781 ( 5.106 0.000 1.721) 5.389 12.152 ( 2.269 0.000 -2.917) 3.696 12.346 ( -1.174 0.000 1.241) 1.708 12.347 ( -4.448 0.000 -0.211) 4.453 14.031 ( -0.021 0.000 0.297) 0.298 14.138 ( 0.176 0.000 -2.390) 2.397 14.252 ( -0.265 0.000 3.207) 3.218 14.480 ( 0.149 0.000 -0.897) 0.909 17.010 ( 0.357 0.000 1.969) 2.001 17.070 ( 10.258 0.000 11.073) 15.094 17.135 ( 0.708 0.000 0.031) 0.709 17.349 ( -0.088 0.000 -1.669) 1.672 17.388 ( -2.761 0.000 -3.787) 4.687 17.495 ( 1.409 0.000 -0.559) 1.516 17.700 ( -0.364 0.000 1.130) 1.188 17.725 ( -1.146 0.000 0.140) 1.155 19.182 ( -2.268 0.000 1.661) 2.812 19.550 ( -6.676 0.000 -12.642) 14.296 19.648 ( 0.584 0.000 0.261) 0.640 19.751 ( -1.816 0.000 0.765) 1.971 28.336 ( -0.789 0.000 -1.946) 2.100 28.348 ( 1.956 0.000 0.349) 1.987 28.647 ( -0.561 0.000 2.270) 2.339 29.062 ( -0.092 0.000 -1.535) 1.538 29.779 ( -0.535 0.000 5.261) 5.288 30.071 ( 18.757 0.000 32.631) 37.637 30.371 ( -1.746 0.000 -4.608) 4.928 30.805 ( 1.345 0.000 3.993) 4.213 31.744 ( -2.147 0.000 -1.255) 2.487 31.796 ( -0.338 0.000 3.329) 3.346 31.905 ( -0.279 0.000 -0.480) 0.555 32.167 ( -0.105 0.000 0.246) 0.267 35.801 ( 1.755 0.000 -3.577) 3.985 36.184 ( -2.246 0.000 5.797) 6.217 36.875 ( 5.131 0.000 -8.822) 10.206 37.126 ( -19.494 0.000 -28.720) 34.711 ======================= Grid point 83 (31/132) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 5.112 20.146 12.067) 24.034 0.686 ( -3.429 13.701 19.243) 23.870 1.137 ( 1.099 35.379 20.702) 41.006 1.674 ( 1.506 -1.963 6.145) 6.625 1.840 ( -0.988 5.289 -3.345) 6.336 2.142 ( -1.491 12.348 -3.628) 12.956 2.409 ( -0.256 2.840 -0.965) 3.010 2.427 ( 1.275 0.004 0.157) 1.285 2.591 ( 6.027 -4.407 -3.298) 8.162 2.650 ( -1.115 3.311 -1.803) 3.932 2.903 ( 3.513 -5.597 -1.809) 6.852 3.234 ( -0.178 -0.920 4.623) 4.717 3.359 ( -2.854 0.284 3.365) 4.421 3.628 ( -1.584 1.321 -3.616) 4.163 3.785 ( -1.115 3.024 0.780) 3.316 3.817 ( -2.243 8.076 -1.788) 8.570 3.950 ( -0.918 -2.969 -1.055) 3.282 4.050 ( -0.030 -1.189 2.802) 3.044 4.237 ( 2.213 -7.810 11.636) 14.188 4.316 ( 0.878 -1.063 7.033) 7.167 5.117 ( 0.194 -1.355 -1.800) 2.261 5.218 ( -1.953 1.876 2.244) 3.518 5.370 ( -1.561 3.875 -0.373) 4.195 5.395 ( 0.552 -13.306 -3.167) 13.689 5.711 ( 3.444 1.681 -0.712) 3.898 5.755 ( -0.369 -2.718 -0.673) 2.825 6.013 ( -1.118 6.704 5.282) 8.607 6.249 ( 3.539 -4.093 -3.491) 6.439 6.397 ( -3.877 -1.329 -1.232) 4.280 6.484 ( -0.561 -5.011 1.911) 5.393 6.520 ( 3.313 -5.260 -1.003) 6.297 6.703 ( -3.985 3.880 -4.699) 7.281 7.095 ( -3.305 2.728 -5.995) 7.369 7.115 ( -0.279 1.070 -0.012) 1.105 7.367 ( -14.379 19.947 -21.584) 32.719 7.768 ( 14.119 -1.828 -5.549) 15.280 11.833 ( -0.156 -0.841 1.321) 1.574 12.168 ( 0.500 -0.094 -3.279) 3.318 12.312 ( 0.030 0.680 0.957) 1.175 12.342 ( 0.107 0.728 1.064) 1.294 14.024 ( -0.013 -0.488 0.235) 0.542 14.157 ( 0.801 -0.516 -2.499) 2.674 14.348 ( -1.324 6.459 -1.726) 6.815 14.500 ( 0.097 2.398 -1.284) 2.721 16.938 ( -0.417 -9.552 6.931) 11.809 17.014 ( -3.508 -3.389 4.282) 6.490 17.135 ( -0.712 -0.779 -0.439) 1.143 17.327 ( 2.276 1.404 1.287) 2.968 17.364 ( 0.874 1.104 -1.693) 2.203 17.577 ( -0.249 1.275 -2.601) 2.907 17.706 ( 0.599 0.532 0.796) 1.129 17.731 ( -1.312 0.833 1.394) 2.088 19.150 ( -1.049 0.306 0.624) 1.258 19.290 ( -1.521 1.518 -0.288) 2.167 19.692 ( -1.370 -2.507 -0.194) 2.864 19.827 ( -0.560 5.637 -8.920) 10.567 28.349 ( 1.049 -2.254 0.777) 2.605 28.457 ( 9.024 -7.465 3.863) 12.333 28.659 ( 1.760 0.529 2.145) 2.825 29.019 ( -1.229 -2.555 -2.415) 3.725 29.722 ( -0.702 -3.139 2.681) 4.188 30.047 ( 6.660 -24.839 19.826) 32.472 30.297 ( 0.948 -6.862 1.707) 7.134 30.810 ( 1.703 -3.957 2.434) 4.948 31.766 ( 0.409 3.426 1.236) 3.665 31.952 ( 0.445 10.300 -1.042) 10.362 32.056 ( -1.158 18.092 6.695) 19.325 34.116 ( 59.990 64.416 -62.765) 108.110 35.686 ( -70.057 -5.041 4.298) 70.369 35.845 ( -0.633 -1.660 -0.822) 1.957 36.118 ( -4.524 -2.715 3.068) 6.103 36.869 ( 3.154 -7.090 -5.466) 9.492 ======================= Grid point 84 (32/132) ======================= q-point: ( 0.17 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 9.246 8.866 15.820) 20.356 0.869 ( 15.845 8.941 13.297) 22.535 1.346 ( 14.596 32.285 15.684) 38.748 1.693 ( -1.260 -0.728 7.844) 7.978 1.871 ( 5.004 5.067 -5.216) 8.827 2.144 ( 2.260 10.741 -4.833) 11.993 2.340 ( -5.995 3.524 -1.016) 7.028 2.430 ( -1.647 -1.153 1.606) 2.573 2.612 ( -1.549 2.995 -1.800) 3.822 2.690 ( 4.024 -1.047 -0.833) 4.241 3.007 ( 4.785 -7.074 -6.271) 10.595 3.229 ( -2.872 -0.903 4.899) 5.750 3.288 ( -2.116 0.469 1.622) 2.707 3.625 ( -0.170 -2.447 -0.811) 2.584 3.770 ( 1.272 4.204 -1.560) 4.661 3.822 ( 2.133 8.146 -0.280) 8.425 3.951 ( 1.465 -4.064 -3.077) 5.304 4.062 ( 0.483 -2.025 4.407) 4.874 4.260 ( -0.919 -0.474 6.027) 6.115 4.338 ( -0.635 -4.260 11.307) 12.099 5.092 ( -1.383 -0.424 -2.949) 3.284 5.190 ( -1.454 -0.155 1.692) 2.236 5.351 ( -0.213 4.530 -0.901) 4.624 5.398 ( -0.086 -12.630 -3.119) 13.010 5.695 ( -5.198 -1.847 3.292) 6.424 5.747 ( 0.431 0.254 -2.751) 2.796 5.987 ( -1.933 7.665 4.905) 9.303 6.246 ( -6.383 2.292 -1.305) 6.907 6.323 ( 0.665 -2.763 -4.255) 5.117 6.462 ( -1.468 -5.201 1.708) 5.667 6.593 ( 0.766 0.098 -2.161) 2.295 6.638 ( 1.361 9.944 -6.482) 11.948 6.909 ( -7.328 14.098 -8.273) 17.914 7.104 ( -0.486 0.241 -2.073) 2.143 7.214 ( -2.360 5.563 4.332) 7.435 7.944 ( 5.562 -8.349 -11.736) 15.439 11.777 ( -4.971 -0.421 1.450) 5.196 12.152 ( -1.095 0.467 -3.914) 4.091 12.341 ( 1.442 0.210 0.761) 1.644 12.380 ( 3.808 0.728 1.338) 4.102 14.024 ( -0.049 -0.587 0.229) 0.632 14.164 ( 0.334 -0.205 -2.519) 2.549 14.311 ( -1.643 6.487 0.358) 6.701 14.499 ( 0.010 1.947 -0.917) 2.152 16.871 ( -5.127 -2.768 6.665) 8.853 16.993 ( 0.358 -3.683 3.130) 4.847 17.128 ( -0.271 -0.001 -0.981) 1.018 17.362 ( 0.548 0.103 -0.379) 0.674 17.390 ( 1.661 -0.392 0.193) 1.717 17.516 ( -3.822 1.676 -2.032) 4.642 17.715 ( -0.321 1.705 1.066) 2.036 17.739 ( 1.690 -0.595 0.953) 2.030 19.149 ( 1.010 0.723 -0.140) 1.250 19.372 ( 7.430 -0.640 -1.390) 7.586 19.669 ( -0.873 -2.294 -1.473) 2.863 19.784 ( -1.992 3.802 -3.408) 5.481 28.333 ( -2.075 -0.759 -0.323) 2.233 28.566 ( 1.657 -9.879 1.998) 10.214 28.728 ( 3.228 -1.511 -0.282) 3.576 28.990 ( -0.959 -3.417 -2.764) 4.498 29.719 ( -0.106 -2.154 2.398) 3.225 30.115 ( -1.672 -24.347 11.930) 27.164 30.338 ( 0.882 -11.889 8.265) 14.507 30.827 ( -0.967 -4.457 2.561) 5.231 31.785 ( 0.992 1.945 1.446) 2.619 31.988 ( 3.436 10.815 -1.127) 11.403 32.044 ( -1.275 18.577 6.638) 19.768 33.749 ( -60.050 68.741 -10.106) 91.834 35.583 ( 43.055 -2.424 -32.206) 53.822 35.909 ( 2.475 -2.552 3.362) 4.894 36.068 ( -1.348 -2.542 0.633) 2.946 36.914 ( 2.461 -7.951 -3.016) 8.853 ======================= Grid point 85 (33/132) ======================= q-point: ( 0.33 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 9.902 6.326 10.251) 15.593 1.212 ( 15.909 -1.699 8.376) 18.060 1.599 ( -1.190 15.871 12.205) 20.057 1.638 ( 1.487 9.187 7.661) 12.054 2.000 ( 8.300 2.798 -6.437) 10.870 2.186 ( 0.773 5.677 -3.266) 6.595 2.233 ( -1.551 7.504 -1.231) 7.761 2.377 ( -3.367 -1.238 1.896) 4.058 2.589 ( -0.646 9.341 -2.538) 9.701 2.728 ( -0.347 0.892 -1.509) 1.787 2.988 ( -5.412 -5.476 -4.091) 8.718 3.171 ( -1.423 2.261 1.069) 2.878 3.302 ( 1.037 -2.170 5.954) 6.422 3.603 ( -0.402 -2.486 0.066) 2.519 3.842 ( 5.174 3.394 -2.612) 6.716 3.871 ( 2.568 7.229 0.271) 7.676 3.988 ( 2.530 -5.344 -1.415) 6.080 4.070 ( -0.971 -2.585 5.659) 6.297 4.241 ( -1.520 2.885 1.899) 3.773 4.333 ( -1.678 1.547 8.490) 8.791 5.075 ( -0.006 -1.024 -3.997) 4.126 5.170 ( -0.541 -1.974 2.282) 3.065 5.350 ( -0.179 1.176 0.102) 1.194 5.364 ( -2.735 -4.663 -2.902) 6.136 5.620 ( -1.850 -2.305 2.520) 3.884 5.738 ( -0.693 0.289 -3.204) 3.291 5.971 ( -0.629 7.368 4.576) 8.696 6.153 ( -2.457 7.652 -1.194) 8.125 6.303 ( -1.555 -2.630 -6.400) 7.092 6.449 ( -0.316 -6.053 3.498) 6.998 6.559 ( -1.040 8.468 -6.395) 10.662 6.704 ( 3.368 -0.661 0.944) 3.559 6.865 ( 2.101 4.032 -3.025) 5.461 7.098 ( 0.385 0.509 -2.933) 3.001 7.177 ( -3.010 3.053 5.083) 6.649 7.978 ( 0.827 -11.579 -10.167) 15.432 11.687 ( -4.082 0.033 1.796) 4.460 12.125 ( -0.725 0.161 -4.632) 4.691 12.364 ( 0.836 0.693 1.379) 1.755 12.453 ( 2.925 0.193 0.561) 2.984 14.024 ( -0.037 -0.816 0.217) 0.846 14.162 ( -0.076 0.055 -2.316) 2.318 14.296 ( -0.244 6.075 1.701) 6.313 14.498 ( 0.065 1.781 -0.794) 1.951 16.821 ( -1.427 -2.436 4.350) 5.185 17.002 ( -0.152 -3.360 3.456) 4.822 17.125 ( 0.323 0.852 -1.075) 1.409 17.357 ( -0.651 0.078 -1.406) 1.551 17.410 ( 0.329 -1.072 0.367) 1.180 17.462 ( -1.404 0.823 -1.425) 2.164 17.712 ( -0.146 1.503 0.886) 1.751 17.768 ( 0.987 -0.275 0.751) 1.271 19.181 ( 2.065 1.052 0.019) 2.318 19.493 ( 5.281 -0.229 -1.947) 5.634 19.651 ( -1.085 -2.161 -0.742) 2.529 19.752 ( -0.883 -0.763 -0.223) 1.188 28.291 ( -1.770 -0.666 -0.636) 1.995 28.567 ( -1.489 -8.388 -0.160) 8.520 28.742 ( -0.968 0.630 -2.671) 2.910 28.983 ( 0.647 -4.573 -1.857) 4.978 29.723 ( -0.050 -1.506 2.803) 3.182 30.070 ( -4.861 -18.200 13.233) 23.021 30.353 ( 0.182 -7.348 3.289) 8.053 30.790 ( -2.661 -1.767 0.983) 3.342 31.800 ( 0.326 1.746 1.322) 2.214 32.031 ( -1.176 19.280 7.182) 20.608 32.066 ( 4.228 13.205 -2.375) 14.067 32.927 ( -26.988 53.829 2.014) 60.250 35.906 ( -3.070 -2.393 3.599) 5.301 36.078 ( 4.277 -3.741 0.228) 5.686 36.190 ( 24.057 -7.441 -28.970) 38.384 36.955 ( 2.266 -9.474 -1.020) 9.794 ======================= Grid point 86 (34/132) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 5.435 5.563 5.766) 9.681 1.302 ( -11.438 -0.529 2.613) 11.745 1.532 ( -2.129 -6.083 12.022) 13.640 1.661 ( -2.077 21.760 6.910) 22.925 2.099 ( 2.954 -0.680 -4.506) 5.431 2.192 ( 0.916 4.800 1.268) 5.048 2.255 ( 0.419 6.524 -1.907) 6.810 2.343 ( -0.296 2.532 0.679) 2.638 2.586 ( 1.089 14.404 -3.614) 14.891 2.653 ( -6.003 1.535 -5.609) 8.358 2.881 ( -2.447 -3.642 -3.231) 5.449 3.188 ( 2.245 2.469 3.140) 4.582 3.323 ( -0.220 -2.074 6.866) 7.175 3.649 ( 4.881 -2.089 2.050) 5.691 3.882 ( -1.100 4.271 0.754) 4.474 3.920 ( 1.710 4.810 -4.120) 6.560 4.027 ( 0.079 -5.753 4.534) 7.325 4.048 ( -0.866 -2.450 2.652) 3.713 4.224 ( -0.035 4.130 0.411) 4.150 4.299 ( -3.241 5.593 4.923) 8.125 5.057 ( -1.040 -2.427 -3.893) 4.705 5.193 ( 1.844 -1.596 3.097) 3.942 5.315 ( 0.249 -5.430 -1.966) 5.780 5.364 ( 1.116 3.088 1.090) 3.459 5.609 ( -0.992 -2.649 0.088) 2.830 5.715 ( -0.647 0.219 -3.903) 3.962 5.976 ( 0.217 6.700 4.652) 8.159 6.136 ( 0.520 6.937 -0.839) 7.007 6.277 ( 0.539 -2.218 -5.039) 5.532 6.462 ( 0.908 -4.643 3.109) 5.661 6.540 ( -0.067 3.915 -4.550) 6.003 6.764 ( 2.944 -2.296 2.800) 4.666 6.925 ( 3.883 3.536 -2.674) 5.893 7.092 ( -2.168 1.481 3.061) 4.033 7.137 ( 0.072 1.535 -1.928) 2.465 7.954 ( -1.273 -12.460 -9.922) 15.979 11.647 ( -0.268 0.160 1.868) 1.894 12.112 ( 0.269 -0.089 -4.765) 4.774 12.376 ( 0.104 0.922 1.673) 1.913 12.478 ( -0.514 0.049 -0.071) 0.521 14.023 ( -0.030 -0.963 0.212) 0.987 14.155 ( -0.164 -0.022 -2.176) 2.183 14.303 ( 0.562 6.289 2.105) 6.656 14.498 ( 0.054 1.819 -0.807) 1.991 16.822 ( 0.629 -4.044 4.146) 5.826 16.998 ( -0.782 -2.587 3.179) 4.172 17.135 ( 0.725 1.406 -0.672) 1.719 17.347 ( 0.132 0.141 -1.890) 1.900 17.403 ( -0.998 -1.625 -0.205) 1.918 17.455 ( 0.625 0.381 -0.923) 1.178 17.711 ( -0.145 1.222 0.786) 1.461 17.778 ( -0.009 0.216 0.689) 0.722 19.214 ( 0.951 0.871 0.880) 1.561 19.563 ( 1.442 1.513 -3.274) 3.884 19.630 ( 0.473 -2.129 1.299) 2.539 19.746 ( -0.118 -3.664 0.648) 3.723 28.275 ( 0.301 -0.659 -0.513) 0.888 28.508 ( -4.205 -7.625 -4.963) 10.023 28.709 ( -1.639 1.765 -1.788) 3.000 29.000 ( 1.271 -4.161 -1.016) 4.468 29.725 ( -0.357 -1.380 3.590) 3.862 29.991 ( -5.600 -10.890 12.980) 17.844 30.359 ( -0.052 -6.136 -0.642) 6.169 30.752 ( -1.084 -0.850 0.106) 1.382 31.802 ( -0.371 2.240 1.189) 2.563 32.021 ( -1.126 19.146 6.722) 20.323 32.117 ( 0.809 16.664 -2.910) 16.935 32.640 ( -4.682 41.188 0.009) 41.453 35.841 ( -3.474 -1.916 -0.088) 3.968 36.137 ( 1.882 -3.641 4.100) 5.797 36.505 ( 14.200 -8.504 -19.860) 25.853 36.995 ( 1.890 -12.375 0.257) 12.521 ======================= Grid point 87 (35/132) ======================= q-point: (-0.33 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -18.072 5.194 1.740) 18.884 1.123 ( -13.227 5.873 11.415) 18.432 1.499 ( 0.953 4.910 4.590) 6.789 1.568 ( -11.983 18.057 12.292) 24.915 2.069 ( -5.787 -0.917 -2.230) 6.269 2.224 ( 2.413 0.799 -1.037) 2.745 2.278 ( 4.046 5.206 0.849) 6.648 2.341 ( -0.244 3.685 0.290) 3.704 2.521 ( -4.422 4.340 -7.829) 9.984 2.624 ( 2.471 9.731 -5.216) 11.314 2.902 ( 3.476 -5.078 -7.207) 9.477 3.231 ( 0.739 -0.097 4.348) 4.412 3.330 ( 0.300 -0.349 7.421) 7.435 3.756 ( 3.526 -1.750 1.525) 4.221 3.834 ( -2.662 3.157 3.364) 5.326 3.899 ( -2.019 5.782 -1.544) 6.316 3.996 ( -2.787 -5.062 2.928) 6.478 4.053 ( -0.191 -1.593 1.144) 1.970 4.214 ( -3.689 5.242 4.736) 7.969 4.263 ( 0.962 3.468 0.986) 3.731 5.048 ( 1.156 -1.368 -2.458) 3.042 5.232 ( 1.661 -1.678 2.589) 3.504 5.337 ( 1.000 -4.002 -1.288) 4.322 5.431 ( 5.802 4.727 -1.289) 7.594 5.555 ( -3.876 -4.657 1.345) 6.207 5.718 ( 1.425 -0.924 -3.377) 3.780 5.990 ( 0.363 6.837 3.938) 7.898 6.162 ( 2.243 4.484 -1.914) 5.367 6.310 ( 3.235 0.057 -1.825) 3.715 6.484 ( 0.790 -3.652 1.402) 3.991 6.532 ( -0.252 -0.000 -3.024) 3.034 6.817 ( 0.742 -2.541 1.644) 3.116 6.995 ( 4.924 8.196 -1.181) 9.634 7.069 ( 0.364 1.647 4.227) 4.551 7.166 ( 3.206 -0.052 -2.951) 4.358 7.894 ( -3.203 -11.976 -11.754) 17.083 11.685 ( 3.726 -0.020 1.739) 4.112 12.120 ( 1.397 -0.193 -4.343) 4.566 12.372 ( -0.781 0.938 1.665) 2.065 12.436 ( -3.620 0.250 -0.216) 3.635 14.023 ( -0.007 -0.843 0.208) 0.868 14.149 ( -0.018 -0.164 -2.191) 2.197 14.323 ( 1.083 7.015 1.896) 7.347 14.497 ( 0.071 1.854 -0.857) 2.044 16.855 ( 1.803 -5.904 5.207) 8.076 16.990 ( -0.445 -1.864 3.188) 3.719 17.148 ( 0.640 1.128 -0.088) 1.300 17.353 ( 0.580 0.207 -2.020) 2.112 17.375 ( -1.785 -1.945 -1.016) 2.828 17.479 ( 2.208 0.724 -0.570) 2.392 17.709 ( -0.267 0.906 0.903) 1.307 17.772 ( -0.726 0.829 0.698) 1.305 19.213 ( -1.210 0.293 1.592) 2.021 19.518 ( -4.269 -2.898 -1.166) 5.289 19.701 ( 5.285 1.781 -3.028) 6.346 19.741 ( -0.488 -3.175 1.527) 3.557 28.300 ( 2.248 -0.550 -0.050) 2.315 28.398 ( -5.701 -5.430 -7.758) 11.053 28.678 ( -1.431 1.306 0.008) 1.937 29.022 ( 1.096 -3.276 -0.793) 3.544 29.725 ( -0.326 -2.080 4.742) 5.188 29.916 ( -4.242 -6.108 11.776) 13.928 30.343 ( -1.361 -6.129 -1.721) 6.510 30.751 ( 0.857 -1.556 0.264) 1.796 31.791 ( -1.008 2.783 0.975) 3.116 32.006 ( -1.827 18.365 4.505) 18.997 32.091 ( -2.055 14.940 -0.165) 15.081 32.721 ( 13.110 46.719 -5.315) 48.814 35.789 ( -1.486 -1.636 -2.803) 3.570 36.161 ( -0.317 -3.736 5.370) 6.549 36.685 ( 8.200 -8.498 -12.534) 17.221 37.006 ( -1.955 -17.865 -1.591) 18.042 ======================= Grid point 88 (36/132) ======================= q-point: (-0.17 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -13.135 15.399 5.151) 20.885 0.849 ( -15.141 10.473 17.081) 25.114 1.266 ( -16.088 31.170 15.870) 38.500 1.601 ( 4.620 -0.512 6.590) 8.064 1.929 ( -7.033 1.921 -3.220) 7.970 2.207 ( -4.033 10.097 -1.338) 10.955 2.365 ( 3.387 0.403 -0.552) 3.456 2.376 ( 4.567 3.519 0.789) 5.819 2.502 ( 3.442 -2.355 -7.929) 8.958 2.653 ( 1.121 5.894 -3.259) 6.828 2.913 ( -1.295 -6.944 -6.049) 9.300 3.234 ( -0.620 -1.036 4.281) 4.448 3.361 ( 0.974 0.567 6.196) 6.297 3.706 ( -4.818 1.632 -4.006) 6.475 3.814 ( -2.151 4.267 1.818) 5.113 3.877 ( -2.405 4.418 0.110) 5.032 3.969 ( -0.452 -5.296 3.311) 6.262 4.050 ( -0.249 -0.149 2.310) 2.328 4.171 ( 0.219 -1.575 7.716) 7.878 4.290 ( 0.986 2.287 3.497) 4.293 5.087 ( 2.654 -0.216 -1.394) 3.006 5.247 ( -0.918 0.014 2.270) 2.449 5.360 ( 1.732 -3.739 -0.124) 4.122 5.437 ( -3.340 -2.222 -4.254) 5.847 5.604 ( 6.978 1.960 1.703) 7.445 5.742 ( 1.422 -2.753 -2.108) 3.747 6.005 ( 0.494 6.465 4.474) 7.877 6.203 ( 2.350 0.488 -3.624) 4.346 6.377 ( 3.618 3.258 0.774) 4.929 6.494 ( 0.186 -6.481 -3.168) 7.216 6.514 ( -1.380 -3.336 0.965) 3.737 6.780 ( -3.507 -0.759 -0.933) 3.708 7.086 ( 2.738 3.294 -2.755) 5.092 7.107 ( 1.791 1.261 1.783) 2.825 7.321 ( 15.610 11.507 -5.961) 20.289 7.771 ( -8.113 -8.421 -12.936) 17.438 11.777 ( 4.837 -0.474 1.568) 5.107 12.147 ( 1.959 -0.327 -3.545) 4.064 12.351 ( -2.512 0.497 0.488) 2.607 12.360 ( -2.850 1.017 1.179) 3.248 14.024 ( 0.013 -0.578 0.219) 0.618 14.149 ( 0.433 -0.329 -2.309) 2.372 14.348 ( 1.126 7.314 0.267) 7.405 14.498 ( 0.227 2.113 -1.022) 2.358 16.904 ( 2.058 -8.542 6.083) 10.686 17.005 ( 1.526 -1.944 4.790) 5.390 17.154 ( -0.247 -0.637 0.310) 0.750 17.332 ( -2.285 -0.256 -0.989) 2.503 17.357 ( 0.348 0.605 -2.113) 2.225 17.535 ( 3.467 1.255 -0.943) 3.805 17.705 ( -0.280 0.725 1.018) 1.280 17.755 ( -1.121 1.101 0.751) 1.741 19.181 ( -2.174 0.031 1.429) 2.602 19.407 ( -7.304 -3.868 -1.350) 8.374 19.718 ( -1.284 -3.055 0.647) 3.377 19.802 ( 4.650 4.343 -7.006) 9.464 28.308 ( -0.914 -2.560 -1.580) 3.144 28.351 ( 2.911 -0.043 0.445) 2.945 28.655 ( -0.991 0.602 1.264) 1.715 29.034 ( 0.126 -2.671 -1.364) 3.002 29.729 ( -0.378 -3.672 4.429) 5.765 29.904 ( 1.859 -7.905 16.008) 17.950 30.309 ( -1.557 -5.639 -1.801) 6.121 30.776 ( 1.446 -2.631 1.156) 3.217 31.771 ( -1.008 3.470 0.896) 3.723 31.970 ( -1.905 13.304 0.300) 13.443 32.066 ( -1.136 16.254 5.018) 17.049 33.156 ( 37.880 64.613 -20.093) 77.546 35.783 ( 1.552 -1.724 -3.331) 4.059 36.145 ( -2.377 -3.763 5.555) 7.119 36.736 ( -14.518 -21.571 -8.525) 27.363 36.841 ( -6.745 -11.922 -10.406) 17.202 ======================= Grid point 89 (37/132) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.923 15.058 10.811) 18.560 1.081 ( -0.490 23.596 5.687) 24.276 1.673 ( 1.698 1.800 4.485) 5.122 1.843 ( 2.908 31.034 10.146) 32.779 1.965 ( -0.274 7.957 -0.249) 7.966 2.307 ( 0.428 2.609 -1.883) 3.246 2.416 ( 0.083 -0.855 2.801) 2.930 2.458 ( -0.446 -4.182 -2.827) 5.067 2.501 ( 2.141 1.885 -0.320) 2.871 2.758 ( 1.860 -7.568 -0.679) 7.822 2.852 ( 0.871 16.114 -4.073) 16.643 3.191 ( -0.087 -3.158 1.686) 3.581 3.381 ( -2.439 2.356 1.254) 3.615 3.664 ( -2.551 2.027 -4.006) 5.164 3.838 ( -0.339 -0.298 -5.646) 5.664 3.875 ( -0.524 1.917 3.135) 3.711 4.030 ( -1.712 0.301 2.516) 3.058 4.043 ( -1.527 9.492 2.450) 9.922 4.237 ( 2.758 5.414 3.945) 7.244 4.367 ( 0.779 3.041 2.626) 4.092 5.073 ( -0.192 -13.846 -2.386) 14.051 5.117 ( 0.111 -2.604 -4.723) 5.394 5.282 ( -1.382 4.068 3.874) 5.785 5.443 ( -1.897 2.206 1.530) 3.287 5.701 ( 1.874 -0.603 0.090) 1.971 5.742 ( -0.085 0.645 -1.256) 1.414 6.124 ( -0.229 -5.796 -1.370) 5.960 6.139 ( 2.123 2.593 4.500) 5.610 6.269 ( -3.987 -8.329 -2.090) 9.468 6.364 ( -0.406 -6.444 -1.302) 6.587 6.463 ( 2.331 -2.197 1.679) 3.617 6.746 ( -0.702 0.769 -2.654) 2.851 7.130 ( -0.176 1.642 -2.473) 2.974 7.140 ( -0.351 2.017 -0.093) 2.050 7.506 ( -5.487 -0.820 -8.512) 10.161 7.719 ( 7.427 -3.894 -6.531) 10.630 11.808 ( -0.259 -1.566 1.315) 2.061 12.172 ( 1.327 0.421 -4.113) 4.343 12.327 ( -0.273 0.773 1.525) 1.731 12.360 ( -0.327 0.930 1.610) 1.888 14.014 ( 0.016 -0.543 0.129) 0.559 14.129 ( 0.471 -2.014 -1.381) 2.487 14.444 ( -0.819 3.652 -0.068) 3.743 14.582 ( -0.153 5.324 -2.357) 5.825 16.824 ( 0.898 -2.794 4.011) 4.970 16.958 ( -1.934 -2.687 3.296) 4.671 17.117 ( -0.001 -1.031 -0.971) 1.416 17.369 ( 0.691 2.543 0.391) 2.664 17.392 ( 1.004 1.584 -2.114) 2.826 17.586 ( -0.373 0.266 -1.314) 1.391 17.694 ( -0.100 -1.578 2.014) 2.561 17.762 ( -0.320 1.982 0.461) 2.060 19.161 ( -0.692 0.809 0.781) 1.320 19.331 ( -0.235 2.397 -0.756) 2.524 19.630 ( -1.039 -3.463 0.132) 3.618 19.847 ( 0.016 -2.097 -5.586) 5.967 28.270 ( 2.509 -4.553 1.943) 5.550 28.381 ( 0.455 -1.828 0.344) 1.915 28.669 ( 1.555 0.527 1.445) 2.188 28.953 ( -1.209 -3.842 -2.222) 4.600 29.662 ( 0.060 -2.688 1.046) 2.885 29.806 ( 0.404 -5.425 6.551) 8.515 30.179 ( -0.253 -5.079 0.591) 5.119 30.723 ( 1.093 -4.891 -2.192) 5.470 31.862 ( -0.135 5.878 1.857) 6.166 32.178 ( 0.121 12.425 -2.219) 12.622 32.516 ( -0.950 25.529 10.740) 27.712 34.859 ( 39.499 21.322 -32.405) 55.361 35.614 ( -39.648 -2.030 3.354) 39.841 35.794 ( -0.773 -3.173 0.158) 3.269 36.031 ( -2.945 -5.715 2.369) 6.852 36.681 ( 2.447 -11.504 -5.342) 12.918 ======================= Grid point 90 (38/132) ======================= q-point: ( 0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 5.859 13.839 6.932) 16.550 1.126 ( 4.112 16.489 8.492) 18.997 1.707 ( 0.725 2.707 5.267) 5.966 1.974 ( 1.169 13.411 5.372) 14.494 2.005 ( 9.622 21.137 4.422) 23.642 2.311 ( 1.367 5.712 -2.672) 6.453 2.377 ( -5.733 -0.312 0.492) 5.762 2.404 ( -2.009 -0.871 0.610) 2.273 2.584 ( 5.398 -3.693 -0.341) 6.549 2.827 ( 3.970 4.044 -0.961) 5.748 2.912 ( 5.161 5.794 -2.429) 8.131 3.191 ( -0.239 -2.627 2.668) 3.752 3.314 ( -3.875 2.960 -1.284) 5.043 3.609 ( -2.949 0.560 -2.302) 3.783 3.842 ( 2.128 0.669 -6.356) 6.736 3.886 ( 1.383 1.039 1.104) 2.052 3.985 ( -0.990 3.463 2.415) 4.336 4.062 ( 0.962 5.689 3.604) 6.803 4.308 ( 2.599 5.582 3.524) 7.094 4.377 ( 0.389 3.404 2.804) 4.427 5.058 ( -0.812 -8.539 -3.324) 9.199 5.115 ( 0.769 -8.375 -4.587) 9.580 5.243 ( -3.128 4.352 3.911) 6.635 5.435 ( 0.493 2.882 0.157) 2.928 5.660 ( -4.688 -1.719 1.493) 5.212 5.740 ( -0.228 0.610 -1.847) 1.959 6.103 ( -0.802 1.802 2.753) 3.387 6.169 ( -4.612 -7.135 -2.706) 8.916 6.221 ( 3.413 -3.939 0.603) 5.246 6.334 ( -2.449 -7.413 -1.765) 8.004 6.543 ( 4.810 -2.702 2.041) 5.882 6.744 ( 1.031 1.540 -2.862) 3.410 7.098 ( -4.366 4.498 -3.009) 6.953 7.126 ( 0.437 2.104 -3.488) 4.097 7.372 ( -6.498 6.530 -2.583) 9.567 7.761 ( -0.511 -9.251 -5.290) 10.669 11.760 ( -4.291 -1.270 1.332) 4.669 12.164 ( -1.209 0.718 -3.879) 4.126 12.352 ( 1.775 0.761 0.881) 2.123 12.390 ( 3.126 0.339 1.881) 3.664 14.011 ( -0.291 -0.653 0.129) 0.727 14.135 ( 0.325 -2.232 -1.267) 2.587 14.435 ( -0.048 5.101 -0.447) 5.121 14.568 ( -0.701 4.994 -1.716) 5.326 16.821 ( -2.298 -1.824 4.761) 5.592 16.929 ( -0.690 -2.690 2.422) 3.684 17.119 ( 0.394 -0.816 -1.343) 1.620 17.379 ( -0.045 1.580 -0.314) 1.611 17.405 ( 0.574 1.323 -0.489) 1.523 17.535 ( -3.588 0.589 -1.400) 3.896 17.716 ( 1.489 -1.648 1.768) 2.839 17.756 ( -0.351 2.128 0.396) 2.193 19.171 ( 1.615 1.407 0.216) 2.153 19.381 ( 4.969 1.133 -0.569) 5.129 19.607 ( -1.142 -3.423 -0.997) 3.743 19.806 ( -3.050 -1.236 -3.586) 4.868 28.303 ( -0.468 -2.731 0.154) 2.775 28.380 ( 0.326 -6.787 2.002) 7.084 28.720 ( 2.687 0.089 1.313) 2.992 28.917 ( -1.865 -3.777 -2.712) 5.011 29.673 ( 0.763 -2.401 1.167) 2.776 29.826 ( 0.339 -6.905 6.030) 9.173 30.186 ( 0.731 -5.892 1.380) 6.095 30.733 ( 0.178 -5.186 -2.276) 5.666 31.870 ( 0.529 5.763 2.001) 6.123 32.233 ( 5.777 13.326 -2.668) 14.767 32.508 ( -1.796 25.521 10.383) 27.611 34.679 ( -46.674 30.679 -4.304) 56.020 35.535 ( 30.807 -1.945 -22.989) 38.488 35.839 ( 1.968 -4.355 2.962) 5.623 35.992 ( -1.231 -4.920 0.310) 5.081 36.706 ( 1.082 -12.486 -3.063) 12.901 ======================= Grid point 91 (39/132) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 8.068 10.486 3.176) 13.606 1.233 ( 4.643 5.312 8.091) 10.735 1.688 ( -4.815 5.447 7.436) 10.400 1.997 ( 1.084 6.885 0.469) 6.986 2.143 ( 2.246 12.804 2.178) 13.181 2.270 ( -3.800 3.380 -2.375) 5.612 2.353 ( -1.180 2.576 0.947) 2.988 2.410 ( 6.726 8.266 1.654) 10.784 2.679 ( 3.776 -1.072 -0.797) 4.005 2.865 ( -1.295 6.638 0.800) 6.810 2.963 ( 0.338 7.216 -4.008) 8.261 3.213 ( 2.578 -1.317 5.082) 5.849 3.261 ( -1.351 3.161 -0.799) 3.529 3.565 ( -0.438 -1.084 -1.533) 1.928 3.883 ( 2.669 -1.764 -5.436) 6.307 3.932 ( 2.898 2.237 1.831) 4.093 3.994 ( 0.694 2.323 3.628) 4.364 4.082 ( 0.510 5.768 2.121) 6.167 4.313 ( -1.680 3.887 1.683) 4.557 4.415 ( 2.161 5.659 2.137) 6.424 5.032 ( -1.369 -5.681 -3.421) 6.772 5.124 ( 0.734 -10.505 -4.238) 11.351 5.199 ( -1.521 3.804 3.773) 5.569 5.416 ( -3.532 1.455 1.734) 4.195 5.610 ( 0.858 -0.775 0.148) 1.166 5.731 ( -0.003 1.461 -2.951) 3.293 6.087 ( -2.362 -5.704 -1.939) 6.471 6.104 ( -1.056 1.164 3.563) 3.894 6.242 ( -1.304 -2.955 -5.140) 6.071 6.303 ( 0.560 -8.281 2.310) 8.616 6.630 ( 3.634 -3.535 2.110) 5.491 6.752 ( -1.014 2.928 -1.971) 3.672 7.002 ( -2.472 8.270 -4.828) 9.890 7.136 ( 1.325 3.076 -4.373) 5.509 7.272 ( -4.520 6.288 3.098) 8.340 7.726 ( -1.730 -12.172 -4.578) 13.119 11.681 ( -3.592 -0.652 1.619) 3.994 12.131 ( -1.200 0.361 -4.232) 4.414 12.383 ( 1.220 1.146 1.383) 2.171 12.454 ( 2.579 -0.143 0.988) 2.766 14.005 ( -0.326 -0.957 0.115) 1.017 14.136 ( -0.007 -2.229 -1.288) 2.574 14.439 ( 0.526 6.731 -0.223) 6.755 14.556 ( -0.246 4.325 -0.942) 4.433 16.777 ( -2.491 -1.580 4.293) 5.209 16.935 ( 0.294 -3.017 2.894) 4.191 17.128 ( 0.816 -0.655 -1.628) 1.935 17.366 ( -0.815 0.994 -1.628) 2.074 17.409 ( -0.261 0.848 0.520) 1.029 17.478 ( -1.769 0.890 -1.275) 2.355 17.744 ( 0.912 -0.822 1.721) 2.113 17.750 ( -0.291 0.726 0.267) 0.827 19.214 ( 2.458 2.186 0.261) 3.299 19.488 ( 5.891 -0.427 -0.259) 5.912 19.586 ( -0.738 -3.732 -1.883) 4.244 19.733 ( -4.005 -1.323 -0.913) 4.316 28.272 ( -1.678 -1.248 -0.854) 2.258 28.389 ( -0.491 -8.449 0.949) 8.516 28.750 ( 0.159 0.334 -0.794) 0.875 28.891 ( -0.045 -4.286 -1.156) 4.440 29.689 ( 0.533 -2.014 1.509) 2.572 29.837 ( -0.274 -6.234 5.422) 8.267 30.205 ( 0.814 -6.835 1.357) 7.016 30.721 ( -0.816 -4.683 -2.871) 5.553 31.884 ( 0.471 5.920 2.287) 6.364 32.366 ( 7.842 15.488 -3.795) 17.770 32.490 ( -1.790 25.066 9.676) 26.928 33.913 ( -31.382 43.128 -0.438) 53.339 35.842 ( -2.215 -3.892 3.048) 5.418 35.970 ( 12.601 -7.159 -9.162) 17.146 36.022 ( 10.551 -8.281 -10.362) 16.950 36.712 ( -0.131 -14.304 -1.039) 14.342 ======================= Grid point 92 (40/132) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -2.836 3.046 3.832) 5.657 1.372 ( 8.184 5.279 3.389) 10.311 1.547 ( -10.927 8.444 7.662) 15.793 2.008 ( -0.203 5.849 1.188) 5.971 2.146 ( -0.348 8.484 -1.262) 8.585 2.225 ( -1.312 2.220 -2.788) 3.798 2.337 ( 0.469 3.211 1.342) 3.512 2.527 ( 1.549 10.098 1.773) 10.369 2.665 ( -5.325 0.442 -4.089) 6.728 2.807 ( -1.395 4.788 2.458) 5.560 2.963 ( 0.318 13.043 -4.712) 13.872 3.240 ( -1.401 0.534 1.955) 2.464 3.289 ( 3.578 2.691 5.146) 6.821 3.607 ( 4.705 -1.892 0.729) 5.123 3.907 ( 0.567 -2.131 -4.345) 4.872 3.976 ( -0.337 1.484 4.937) 5.166 4.012 ( 1.270 0.925 2.933) 3.327 4.081 ( -1.100 7.617 0.509) 7.712 4.285 ( -0.787 1.907 -0.067) 2.064 4.430 ( -1.249 7.341 1.093) 7.526 5.005 ( -0.245 -4.230 -2.598) 4.970 5.126 ( 0.382 -9.628 -4.154) 10.493 5.208 ( 1.542 1.685 3.261) 3.981 5.363 ( -0.862 -0.390 2.793) 2.949 5.635 ( -0.389 -1.097 -0.256) 1.191 5.741 ( 1.609 5.668 -3.995) 7.118 6.055 ( 0.041 -7.714 -1.456) 7.851 6.100 ( -0.117 1.669 4.879) 5.158 6.200 ( -1.081 -4.348 -5.432) 7.041 6.350 ( 3.102 -6.477 2.471) 7.594 6.650 ( -3.600 -4.556 0.675) 5.846 6.730 ( 2.082 4.489 -0.371) 4.962 7.023 ( 4.358 6.027 -4.539) 8.713 7.156 ( 1.443 4.225 -3.637) 5.759 7.200 ( -3.360 5.344 2.945) 6.966 7.687 ( -1.502 -12.475 -4.753) 13.434 11.646 ( -0.203 -0.302 1.750) 1.787 12.111 ( -0.000 -0.031 -4.549) 4.549 12.400 ( 0.217 1.393 1.804) 2.289 12.477 ( -0.428 -0.173 0.353) 0.581 14.001 ( -0.063 -1.156 0.087) 1.161 14.131 ( -0.150 -2.085 -1.403) 2.518 14.453 ( 0.800 7.146 0.324) 7.198 14.554 ( 0.159 4.147 -0.711) 4.211 16.753 ( -0.753 -2.425 3.864) 4.623 16.943 ( -0.017 -2.638 3.204) 4.151 17.141 ( 0.622 -0.856 -1.365) 1.727 17.353 ( -0.040 0.689 -2.430) 2.526 17.397 ( -0.902 0.960 0.250) 1.341 17.466 ( 0.598 0.848 -0.796) 1.308 17.740 ( -0.627 1.065 0.470) 1.322 17.762 ( 0.435 -1.550 1.442) 2.161 19.247 ( 0.510 2.425 0.802) 2.604 19.561 ( -2.291 -2.833 -0.645) 3.700 19.596 ( 5.224 -1.123 -2.010) 5.709 19.670 ( -1.549 -2.728 0.791) 3.235 28.257 ( 0.381 -1.145 -0.680) 1.385 28.356 ( -2.724 -7.148 -1.699) 7.836 28.731 ( -1.451 0.743 -1.699) 2.355 28.909 ( 1.683 -4.505 0.145) 4.811 29.694 ( -0.325 -1.850 1.750) 2.567 29.834 ( -1.096 -4.753 5.243) 7.161 30.216 ( 0.024 -7.045 0.790) 7.089 30.702 ( -0.406 -4.038 -3.381) 5.282 31.891 ( -0.212 6.130 2.471) 6.613 32.463 ( 1.681 16.902 -4.077) 17.468 32.475 ( -1.764 24.409 8.672) 25.964 33.542 ( -6.050 45.479 -2.384) 45.942 35.791 ( -2.887 -2.996 -0.076) 4.161 36.038 ( 1.624 -6.104 3.458) 7.201 36.287 ( 13.034 -12.619 -14.201) 23.039 36.694 ( -1.862 -16.846 0.339) 16.952 ======================= Grid point 93 (41/132) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -6.849 9.872 4.050) 12.679 1.323 ( -13.309 11.090 7.911) 19.044 1.517 ( 6.345 4.028 3.015) 8.098 1.982 ( -3.405 8.671 1.496) 9.435 2.114 ( -4.276 10.225 0.002) 11.083 2.216 ( 1.489 0.515 -2.101) 2.626 2.376 ( 2.712 3.650 0.687) 4.599 2.442 ( -5.567 7.161 0.898) 9.114 2.573 ( -3.962 0.117 -3.356) 5.194 2.811 ( -0.076 1.937 -1.831) 2.667 2.942 ( -1.708 14.257 -5.285) 15.301 3.210 ( -1.891 -1.453 3.084) 3.898 3.356 ( 2.349 3.630 5.568) 7.050 3.711 ( 4.650 -2.559 0.890) 5.382 3.895 ( -0.765 0.956 -2.045) 2.383 3.929 ( -4.561 -0.111 4.368) 6.316 4.033 ( -1.118 3.594 2.521) 4.530 4.057 ( 0.046 5.427 0.419) 5.443 4.294 ( 1.470 1.712 0.901) 2.429 4.369 ( -5.109 7.365 0.017) 8.964 5.028 ( 2.895 -3.359 -2.522) 5.101 5.122 ( -0.197 -9.701 -3.279) 10.242 5.249 ( 1.692 1.148 3.176) 3.777 5.421 ( 6.245 -1.890 1.745) 6.754 5.592 ( -3.385 0.912 0.264) 3.515 5.750 ( -0.044 5.289 -2.749) 5.961 6.089 ( 2.663 -8.602 -3.451) 9.644 6.101 ( -0.265 3.445 4.664) 5.804 6.213 ( 3.004 -6.349 -1.599) 7.204 6.399 ( 1.189 -4.740 1.685) 5.170 6.559 ( -5.134 -3.265 -0.259) 6.089 6.778 ( 1.397 -0.480 -0.630) 1.606 7.095 ( 2.263 2.939 -1.478) 3.993 7.167 ( -0.702 3.831 -1.507) 4.177 7.227 ( 9.660 7.834 -2.819) 12.752 7.649 ( -1.632 -10.954 -5.298) 12.277 11.681 ( 3.339 -0.420 1.713) 3.776 12.116 ( 1.358 -0.189 -4.516) 4.719 12.396 ( -1.023 1.275 1.731) 2.381 12.441 ( -3.095 0.290 0.444) 3.140 14.004 ( 0.280 -1.050 0.077) 1.090 14.126 ( -0.070 -1.927 -1.497) 2.441 14.465 ( 0.283 5.852 0.546) 5.884 14.560 ( 0.734 4.891 -0.940) 5.034 16.761 ( 0.779 -3.048 3.558) 4.749 16.950 ( 0.203 -1.987 3.653) 4.163 17.142 ( -0.318 -1.367 -0.930) 1.684 17.355 ( 0.615 0.677 -2.847) 2.990 17.381 ( -0.629 1.593 -0.140) 1.719 17.495 ( 2.523 0.994 -0.468) 2.752 17.727 ( -0.846 0.119 0.846) 1.202 17.768 ( -0.040 -0.588 1.146) 1.288 19.233 ( -1.953 1.661 1.137) 2.805 19.485 ( -5.024 -0.869 -0.222) 5.104 19.642 ( 0.454 -5.055 -0.025) 5.075 19.723 ( 5.614 -0.623 -2.003) 5.993 28.284 ( 1.898 -1.338 -0.220) 2.333 28.292 ( -2.537 -4.634 -2.791) 5.975 28.698 ( -1.689 0.852 -0.897) 2.093 28.943 ( 1.657 -4.366 -0.148) 4.672 29.684 ( -0.989 -2.147 1.733) 2.931 29.815 ( -1.674 -3.460 5.204) 6.470 30.209 ( -0.810 -6.428 0.466) 6.495 30.697 ( 0.534 -3.985 -3.436) 5.289 31.884 ( -0.932 6.133 2.318) 6.623 32.374 ( -7.514 16.309 -2.733) 18.163 32.486 ( 0.148 24.114 8.819) 25.677 33.673 ( 19.157 45.048 -9.240) 49.817 35.746 ( -1.382 -2.562 -2.283) 3.699 36.059 ( -0.177 -6.220 4.549) 7.707 36.442 ( 3.988 -15.317 -6.288) 17.031 36.636 ( -3.534 -17.454 -2.124) 17.934 ======================= Grid point 94 (42/132) ======================= q-point: (-0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.311 15.839 7.406) 18.589 1.125 ( -6.959 18.337 7.363) 20.950 1.619 ( 3.605 2.566 4.036) 5.989 1.880 ( -6.768 23.550 5.888) 25.201 2.008 ( -4.500 8.795 -0.533) 9.894 2.269 ( 3.515 -0.699 -0.673) 3.647 2.398 ( 0.738 0.631 1.595) 1.867 2.437 ( 2.110 -0.101 -3.819) 4.364 2.503 ( -1.950 2.596 -0.855) 3.357 2.778 ( -2.449 -3.644 -1.987) 4.819 2.885 ( -2.791 15.234 -4.870) 16.235 3.191 ( -0.537 -2.841 2.298) 3.693 3.393 ( 0.517 3.119 4.175) 5.237 3.728 ( -2.418 -0.075 -5.191) 5.727 3.863 ( -1.912 -2.140 -0.237) 2.879 3.885 ( -0.878 3.249 4.341) 5.493 4.018 ( 0.188 5.860 1.359) 6.019 4.073 ( 0.389 3.307 3.375) 4.742 4.255 ( -5.240 7.383 0.674) 9.078 4.336 ( 1.868 2.015 1.743) 3.254 5.072 ( 1.234 -10.289 -2.422) 10.642 5.116 ( 0.542 -4.469 -3.598) 5.763 5.279 ( 0.767 2.677 3.625) 4.571 5.495 ( -2.900 0.974 2.796) 4.144 5.598 ( 7.154 -1.010 -0.991) 7.293 5.744 ( 0.078 2.820 -1.672) 3.279 6.093 ( 0.483 -1.852 0.955) 2.139 6.141 ( 1.136 -2.417 0.015) 2.671 6.272 ( 2.662 -6.992 0.936) 7.540 6.396 ( -1.558 -4.779 -2.039) 5.425 6.470 ( -3.452 -3.498 1.368) 5.102 6.771 ( -1.205 -0.463 -1.610) 2.063 7.123 ( 1.099 1.991 0.527) 2.335 7.150 ( -0.693 2.479 -2.590) 3.652 7.488 ( 15.930 3.892 -7.803) 18.160 7.600 ( -2.618 -7.708 -4.964) 9.534 11.762 ( 4.132 -1.002 1.591) 4.540 12.143 ( 2.133 -0.063 -4.277) 4.780 12.362 ( -2.852 0.562 0.648) 2.978 12.384 ( -2.356 1.314 1.922) 3.312 14.010 ( 0.325 -0.741 0.106) 0.816 14.125 ( 0.209 -1.862 -1.496) 2.398 14.461 ( -0.788 3.931 0.365) 4.026 14.577 ( 0.992 5.529 -1.753) 5.885 16.791 ( 1.592 -3.054 3.450) 4.875 16.964 ( 0.341 -2.153 4.163) 4.700 17.128 ( -0.839 -1.521 -0.925) 1.968 17.361 ( 0.317 2.165 -1.207) 2.499 17.378 ( 0.585 1.530 -1.679) 2.346 17.552 ( 3.152 0.832 -0.568) 3.309 17.709 ( -1.221 -0.967 1.465) 2.138 17.766 ( -0.229 0.782 0.712) 1.082 19.190 ( -2.343 0.900 1.132) 2.753 19.387 ( -4.734 0.699 -0.466) 4.808 19.643 ( -0.389 -4.144 0.705) 4.222 19.816 ( 4.171 -1.857 -4.665) 6.527 28.246 ( -0.649 -3.329 -0.625) 3.449 28.343 ( 3.102 -0.801 0.115) 3.206 28.668 ( -1.224 0.693 0.223) 1.424 28.964 ( 0.455 -4.113 -1.084) 4.278 29.668 ( -0.842 -2.616 1.374) 3.072 29.798 ( -0.903 -3.435 5.836) 6.832 30.191 ( -0.960 -5.454 0.293) 5.546 30.707 ( 1.005 -4.357 -2.853) 5.304 31.869 ( -0.929 6.024 1.990) 6.412 32.236 ( -5.512 13.663 -2.345) 14.918 32.506 ( -0.033 24.993 10.260) 27.017 34.172 ( 34.890 38.709 -19.853) 55.766 35.737 ( 0.918 -2.841 -2.608) 3.965 36.045 ( -2.530 -5.911 4.834) 8.044 36.287 ( -20.464 -19.295 0.941) 28.141 36.634 ( 3.401 -11.638 -7.670) 14.347 ======================= Grid point 95 (43/132) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.107 12.209 3.613) 12.733 1.533 ( -1.613 21.081 2.048) 21.241 1.746 ( 1.731 5.637 3.382) 6.798 2.043 ( 1.391 2.723 -2.362) 3.864 2.253 ( 3.674 -0.087 1.963) 4.167 2.331 ( -1.679 3.321 4.765) 6.046 2.383 ( -0.086 -0.935 2.004) 2.213 2.396 ( 2.089 -0.166 -3.366) 3.965 2.602 ( 5.097 -6.506 -0.068) 8.265 2.645 ( -4.170 13.075 4.254) 14.368 3.084 ( 0.372 0.593 -4.684) 4.736 3.201 ( -0.776 7.905 -1.194) 8.032 3.478 ( -1.987 7.737 0.980) 8.048 3.701 ( -2.028 1.463 -4.085) 4.790 3.816 ( -0.279 -0.761 -0.459) 0.931 3.916 ( -0.786 0.207 0.309) 0.869 4.075 ( -2.122 4.165 -0.867) 4.754 4.204 ( 0.512 6.755 1.807) 7.011 4.380 ( 2.101 7.641 0.202) 7.927 4.423 ( 1.254 3.088 2.055) 3.916 4.766 ( -0.560 -13.144 0.056) 13.156 5.122 ( -0.630 -1.043 -6.432) 6.546 5.351 ( -0.323 2.166 3.890) 4.464 5.434 ( -0.995 -1.948 3.470) 4.102 5.689 ( 3.073 -0.998 -0.825) 3.334 5.782 ( -2.710 2.498 0.018) 3.686 5.989 ( 2.115 -5.371 -1.791) 6.044 6.090 ( -0.811 -5.602 1.038) 5.755 6.207 ( -1.936 -0.679 -3.479) 4.038 6.270 ( -2.577 -1.876 0.484) 3.224 6.426 ( 3.351 -0.732 4.128) 5.367 6.741 ( -0.053 -1.085 -1.574) 1.913 7.159 ( -0.125 1.122 -2.329) 2.588 7.187 ( -0.216 2.333 -0.872) 2.500 7.459 ( -1.047 -2.869 -2.363) 3.861 7.600 ( 2.810 -7.804 -2.858) 8.773 11.776 ( -0.432 -1.538 1.433) 2.146 12.182 ( 1.853 0.480 -4.570) 4.954 12.342 ( -0.211 0.730 1.696) 1.859 12.376 ( -0.967 0.648 2.012) 2.325 14.004 ( 0.092 -0.468 -0.035) 0.478 14.086 ( 0.244 -2.169 -0.955) 2.383 14.508 ( -0.376 2.858 0.762) 2.981 14.687 ( -0.219 4.908 -2.047) 5.322 16.799 ( 1.250 -0.182 2.138) 2.483 16.911 ( -1.825 -1.848 3.474) 4.338 17.097 ( 0.097 -0.929 -1.148) 1.480 17.417 ( 0.776 1.873 -2.427) 3.162 17.425 ( 0.640 1.828 -0.458) 1.990 17.593 ( -1.082 0.231 -1.149) 1.595 17.656 ( 0.369 -1.942 2.644) 3.301 17.800 ( 0.173 1.746 -0.391) 1.798 19.179 ( -0.439 0.985 0.888) 1.397 19.377 ( -0.098 2.105 -1.142) 2.397 19.566 ( -0.629 -2.737 0.440) 2.842 19.780 ( 0.219 -4.076 -3.234) 5.207 28.193 ( 1.107 -3.147 1.051) 3.498 28.349 ( -0.473 -1.608 -1.085) 1.996 28.680 ( 1.315 0.583 0.818) 1.655 28.878 ( -0.905 -3.465 -1.690) 3.960 29.612 ( 0.005 -2.310 0.436) 2.350 29.748 ( 0.019 -1.134 0.930) 1.467 30.100 ( -0.444 -2.912 0.948) 3.095 30.621 ( 0.907 -5.178 -4.268) 6.772 31.982 ( -0.304 5.870 2.476) 6.378 32.415 ( 0.105 10.684 -2.672) 11.013 33.000 ( -0.875 22.219 12.585) 25.551 35.156 ( 20.855 10.658 -14.462) 27.526 35.599 ( -16.963 -0.114 -1.698) 17.048 35.733 ( -4.027 -2.448 1.015) 4.821 35.911 ( -1.307 -5.795 1.745) 6.192 36.433 ( 1.902 -13.050 -4.807) 14.037 ======================= Grid point 96 (44/132) ======================= q-point: ( 0.17 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 3.914 11.152 2.301) 12.040 1.481 ( -3.694 18.159 3.704) 18.897 1.794 ( 2.412 5.881 3.589) 7.300 2.052 ( -0.254 0.950 -1.364) 1.681 2.285 ( -0.259 -1.649 1.028) 1.960 2.330 ( 0.586 2.913 1.938) 3.547 2.383 ( 0.031 -0.537 0.852) 1.008 2.508 ( 7.320 -1.949 0.316) 7.581 2.586 ( 0.612 12.975 5.232) 14.003 2.771 ( 8.955 -1.869 1.422) 9.258 3.096 ( 1.648 2.690 -3.868) 4.991 3.191 ( 0.135 4.768 -1.901) 5.135 3.435 ( -2.256 9.001 -0.345) 9.285 3.631 ( -4.168 1.232 -3.631) 5.664 3.820 ( 0.886 -1.200 -2.696) 3.081 3.925 ( 1.917 -0.063 0.268) 1.937 4.046 ( -0.789 4.909 0.758) 5.030 4.209 ( -0.103 6.986 0.809) 7.034 4.423 ( -0.549 4.224 2.526) 4.952 4.458 ( 3.916 5.903 0.929) 7.145 4.763 ( 0.345 -13.549 -0.040) 13.554 5.099 ( -0.558 -0.786 -6.246) 6.320 5.327 ( -2.353 3.376 3.299) 5.274 5.436 ( 0.292 -2.051 2.876) 3.544 5.631 ( -6.012 -0.848 0.415) 6.086 5.787 ( 1.183 3.200 -2.193) 4.055 6.026 ( 0.220 -4.356 -2.154) 4.864 6.047 ( -1.844 -5.886 1.571) 6.365 6.163 ( -1.755 -5.575 -4.298) 7.255 6.246 ( -0.462 0.601 1.284) 1.491 6.504 ( 3.623 -0.671 4.494) 5.812 6.747 ( 0.883 -0.861 -1.434) 1.891 7.158 ( -0.313 2.068 -1.912) 2.834 7.175 ( -0.210 2.282 -3.054) 3.819 7.428 ( -1.969 0.043 -1.099) 2.256 7.588 ( -2.840 -8.369 -1.494) 8.963 11.733 ( -3.753 -1.334 1.308) 4.193 12.178 ( -1.323 0.640 -3.931) 4.197 12.367 ( 2.018 0.765 1.202) 2.471 12.394 ( 2.441 0.121 1.992) 3.153 13.999 ( -0.514 -0.548 -0.005) 0.752 14.088 ( 0.095 -2.350 -0.906) 2.520 14.514 ( 0.831 3.155 0.523) 3.304 14.675 ( -0.592 5.182 -1.972) 5.576 16.805 ( -1.552 0.071 3.515) 3.844 16.885 ( -0.861 -1.781 2.296) 3.031 17.100 ( 0.377 -1.063 -1.350) 1.759 17.415 ( -0.529 1.824 -1.828) 2.636 17.434 ( 0.259 1.511 -0.153) 1.541 17.545 ( -2.874 0.396 -1.196) 3.138 17.678 ( 1.008 -2.010 2.084) 3.066 17.794 ( -0.666 1.606 -0.138) 1.744 19.201 ( 2.435 1.495 0.513) 2.903 19.404 ( 2.939 1.028 -0.919) 3.246 19.547 ( -1.307 -2.437 -0.252) 2.777 19.757 ( -2.001 -3.208 -2.550) 4.560 28.222 ( 1.393 -4.109 1.524) 4.598 28.308 ( -2.867 -1.953 -1.305) 3.707 28.724 ( 2.518 0.349 1.058) 2.754 28.847 ( -1.808 -3.128 -2.165) 4.212 29.621 ( 0.753 -2.673 0.576) 2.836 29.761 ( 1.016 -0.850 0.701) 1.499 30.095 ( -0.228 -3.375 1.033) 3.537 30.626 ( 0.355 -5.348 -4.177) 6.795 31.990 ( 0.605 5.923 2.597) 6.496 32.479 ( 6.894 10.876 -3.255) 13.282 32.992 ( -2.235 22.239 12.355) 25.538 35.122 ( -27.499 16.206 0.921) 31.933 35.516 ( 18.668 0.225 -17.804) 25.798 35.745 ( 1.470 -4.916 2.483) 5.700 35.888 ( -1.134 -5.036 0.494) 5.185 36.441 ( -0.279 -13.868 -2.939) 14.179 ======================= Grid point 97 (45/132) ======================= q-point: ( 0.33 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 4.271 8.771 1.929) 9.945 1.425 ( -2.579 12.668 4.824) 13.798 1.825 ( -0.549 7.445 3.412) 8.208 2.029 ( -1.612 -1.047 -1.890) 2.696 2.276 ( -0.670 1.325 0.745) 1.661 2.342 ( 0.092 5.253 -1.597) 5.491 2.388 ( 0.572 1.649 1.017) 2.020 2.560 ( 0.949 -1.385 2.152) 2.730 2.716 ( 7.017 7.669 2.729) 10.747 2.896 ( 2.892 -0.520 0.991) 3.101 3.123 ( 1.397 4.920 -3.491) 6.193 3.214 ( 2.973 3.138 1.126) 4.467 3.401 ( -1.065 7.918 -0.251) 7.993 3.565 ( -1.278 1.111 -2.500) 3.020 3.839 ( 1.453 -2.194 -2.568) 3.677 3.972 ( 2.105 -1.333 1.911) 3.140 4.046 ( 0.594 5.747 1.139) 5.889 4.207 ( 0.057 5.438 -1.042) 5.538 4.388 ( -3.208 3.869 2.933) 5.819 4.536 ( 3.434 5.964 -0.065) 6.883 4.781 ( 1.433 -12.747 0.117) 12.827 5.076 ( -0.834 -0.372 -4.457) 4.549 5.289 ( -2.266 4.731 2.701) 5.900 5.422 ( -2.354 -1.516 1.482) 3.168 5.557 ( -0.990 -2.100 0.627) 2.405 5.804 ( 2.026 3.195 -4.267) 5.703 5.952 ( -4.116 -3.467 -1.748) 5.658 6.074 ( 0.496 -5.635 -1.036) 5.750 6.140 ( 1.061 -7.186 -0.944) 7.325 6.230 ( -1.845 0.817 1.024) 2.263 6.560 ( 0.929 -2.078 4.544) 5.083 6.763 ( 0.830 -0.761 -0.631) 1.291 7.127 ( -1.132 4.676 -3.270) 5.817 7.191 ( 1.860 1.879 -3.870) 4.688 7.376 ( -3.461 3.145 1.404) 4.883 7.530 ( -2.272 -7.628 -1.109) 8.036 11.665 ( -3.062 -0.878 1.529) 3.533 12.138 ( -1.667 0.355 -3.997) 4.345 12.406 ( 1.575 1.073 1.458) 2.400 12.449 ( 2.280 -0.314 1.316) 2.651 13.987 ( -0.607 -0.802 -0.035) 1.007 14.086 ( -0.040 -2.507 -0.971) 2.689 14.535 ( 1.084 3.299 0.399) 3.496 14.663 ( -0.253 5.601 -1.487) 5.800 16.764 ( -2.716 0.232 3.894) 4.753 16.888 ( 0.369 -1.741 2.415) 3.000 17.106 ( 0.583 -1.302 -1.512) 2.079 17.394 ( -1.079 1.593 -2.289) 2.990 17.433 ( -0.310 1.406 0.340) 1.479 17.499 ( -1.500 1.140 -1.276) 2.276 17.696 ( 0.485 -2.831 1.837) 3.409 17.779 ( -0.757 1.184 0.082) 1.408 19.262 ( 3.392 2.422 0.359) 4.183 19.468 ( 3.152 -1.636 -0.090) 3.553 19.523 ( -0.582 -2.370 -0.989) 2.633 19.703 ( -3.026 -1.491 -1.650) 3.756 28.238 ( -0.280 -2.960 -0.029) 2.973 28.261 ( -1.451 -3.579 -0.219) 3.868 28.757 ( 0.412 0.368 -0.671) 0.869 28.819 ( -0.289 -2.970 -0.744) 3.075 29.638 ( 0.780 -2.827 0.798) 3.040 29.782 ( 0.888 -0.400 0.466) 1.080 30.096 ( 0.118 -4.122 1.213) 4.298 30.619 ( -0.216 -5.228 -4.400) 6.837 32.009 ( 0.683 6.158 2.988) 6.879 32.634 ( 8.801 11.001 -4.592) 14.818 32.966 ( -2.531 21.903 11.707) 24.964 34.627 ( -22.338 29.647 -2.030) 37.176 35.761 ( -0.691 -4.092 2.269) 4.729 35.814 ( 15.246 -7.907 -13.096) 21.598 35.883 ( 0.705 -5.735 0.782) 5.831 36.414 ( -2.115 -15.284 -1.119) 15.470 ======================= Grid point 98 (46/132) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.945 10.769 7.272) 13.139 1.463 ( 3.533 5.102 0.637) 6.239 1.775 ( -4.723 11.667 1.981) 12.742 1.999 ( -0.738 -2.900 -3.546) 4.639 2.266 ( -0.696 2.540 0.699) 2.725 2.315 ( -1.879 6.152 -3.446) 7.297 2.414 ( 1.579 3.791 1.203) 4.279 2.567 ( -0.888 -4.166 0.191) 4.264 2.748 ( -4.109 5.696 -1.104) 7.109 2.920 ( -0.039 4.769 4.458) 6.528 3.132 ( 0.609 4.538 -5.023) 6.796 3.278 ( 1.156 4.113 3.615) 5.597 3.402 ( 1.687 5.195 1.797) 5.750 3.590 ( 3.846 0.500 -0.411) 3.900 3.859 ( 1.041 -2.591 -2.297) 3.615 3.992 ( -0.786 -1.529 3.794) 4.165 4.068 ( 1.291 5.865 1.834) 6.279 4.214 ( 1.025 4.215 -3.212) 5.398 4.323 ( -3.639 3.145 1.981) 5.202 4.566 ( -0.610 5.587 -0.947) 5.699 4.808 ( 0.942 -10.967 0.732) 11.032 5.064 ( 0.744 0.662 -3.258) 3.407 5.251 ( -1.457 1.947 2.537) 3.514 5.406 ( 1.246 3.417 -1.229) 3.839 5.550 ( -1.097 -4.787 2.593) 5.554 5.862 ( 3.767 -3.764 -4.313) 6.853 5.893 ( -0.965 2.378 -3.017) 3.961 6.066 ( 0.662 -4.922 -2.860) 5.731 6.150 ( -2.579 -3.268 2.631) 4.924 6.233 ( 3.621 -3.757 1.348) 5.390 6.544 ( -3.243 -3.053 3.262) 5.521 6.772 ( 0.173 -0.196 -0.005) 0.262 7.128 ( 1.756 4.437 -3.852) 6.133 7.217 ( 1.316 1.849 -3.628) 4.280 7.319 ( -1.969 4.705 2.007) 5.481 7.501 ( -0.751 -6.370 -1.234) 6.532 11.637 ( -0.036 -0.564 1.757) 1.846 12.111 ( -0.302 0.026 -4.448) 4.459 12.427 ( 0.254 1.257 1.886) 2.280 12.471 ( -0.208 -0.316 0.845) 0.926 13.980 ( -0.106 -0.970 -0.109) 0.981 14.083 ( -0.041 -2.502 -1.076) 2.724 14.550 ( 0.258 3.127 0.519) 3.180 14.662 ( 0.474 5.837 -1.091) 5.957 16.732 ( -1.213 0.079 3.367) 3.580 16.901 ( 0.467 -1.554 3.102) 3.500 17.113 ( 0.307 -1.570 -1.362) 2.101 17.376 ( -0.199 1.426 -2.993) 3.322 17.425 ( -0.524 1.551 0.153) 1.644 17.489 ( 0.712 1.433 -0.809) 1.793 17.701 ( -0.312 -3.253 1.692) 3.680 17.770 ( -0.105 0.910 0.107) 0.922 19.304 ( 0.264 3.132 0.602) 3.200 19.494 ( 0.367 -3.504 0.031) 3.523 19.537 ( 0.584 -3.615 -0.426) 3.687 19.660 ( -0.020 0.511 -1.627) 1.706 28.231 ( 0.471 -1.610 -0.900) 1.904 28.239 ( -1.307 -4.242 -0.259) 4.447 28.744 ( -1.082 0.541 -1.646) 2.043 28.832 ( 1.298 -3.147 0.356) 3.423 29.647 ( -0.090 -2.620 0.903) 2.772 29.790 ( -0.126 -0.336 0.472) 0.593 30.102 ( 0.191 -4.336 1.317) 4.535 30.608 ( -0.008 -5.000 -4.720) 6.876 32.020 ( -0.208 6.330 3.282) 7.133 32.734 ( 1.059 10.507 -5.419) 11.870 32.946 ( -1.559 21.685 11.277) 24.491 34.350 ( -4.422 35.359 -4.489) 35.916 35.732 ( -2.068 -2.697 -0.069) 3.399 35.908 ( 1.174 -6.780 2.623) 7.364 36.042 ( 10.536 -11.316 -8.723) 17.752 36.359 ( -3.399 -16.610 -0.221) 16.956 ======================= Grid point 99 (47/132) ======================= q-point: (-0.33 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -2.870 9.108 5.674) 11.108 1.501 ( 0.290 10.058 2.652) 10.406 1.707 ( -1.390 12.558 1.181) 12.690 1.993 ( 0.878 -2.300 -4.217) 4.883 2.232 ( -2.192 1.952 -2.873) 4.107 2.302 ( 0.986 4.812 0.412) 4.929 2.429 ( -0.717 2.096 0.499) 2.271 2.525 ( -3.183 -4.238 -1.124) 5.418 2.622 ( -7.292 7.203 0.955) 10.294 2.884 ( -4.575 6.096 2.555) 8.039 3.125 ( -0.733 2.279 -4.507) 5.103 3.258 ( -2.279 6.327 1.784) 6.958 3.461 ( 2.722 5.689 3.781) 7.353 3.674 ( 4.050 -0.626 -0.565) 4.137 3.871 ( 0.419 -1.888 -1.001) 2.178 3.955 ( -3.215 0.278 3.410) 4.695 4.098 ( 1.275 5.334 2.552) 6.049 4.206 ( -1.826 6.793 -1.750) 7.248 4.303 ( 2.137 -0.116 -0.358) 2.170 4.509 ( -4.638 6.134 -1.447) 7.825 4.808 ( -1.086 -11.530 1.136) 11.636 5.096 ( 2.831 1.008 -3.452) 4.577 5.264 ( 2.165 -0.355 1.704) 2.778 5.457 ( 3.745 5.259 -0.991) 6.531 5.522 ( -1.740 -6.078 3.335) 7.148 5.855 ( -0.900 -0.127 -2.270) 2.445 5.938 ( 2.754 -1.709 -3.200) 4.555 6.080 ( -0.651 -4.621 0.098) 4.667 6.147 ( 3.991 -0.696 -0.176) 4.055 6.302 ( 2.431 -5.488 1.938) 6.307 6.466 ( -4.857 -2.354 1.692) 5.656 6.768 ( -0.572 -1.050 -0.238) 1.219 7.156 ( 1.307 3.029 -2.709) 4.269 7.218 ( -0.688 1.653 -2.299) 2.914 7.347 ( 5.279 3.016 -1.169) 6.191 7.490 ( -0.289 -5.366 -0.961) 5.459 11.670 ( 2.988 -0.613 1.862) 3.574 12.113 ( 1.384 -0.087 -4.698) 4.898 12.418 ( -1.702 0.810 1.441) 2.373 12.448 ( -2.122 0.426 1.413) 2.585 13.984 ( 0.533 -0.890 -0.148) 1.048 14.082 ( 0.082 -2.348 -1.118) 2.602 14.544 ( -0.889 2.775 0.733) 3.005 14.675 ( 0.911 5.651 -1.136) 5.836 16.733 ( 0.751 -0.088 2.536) 2.646 16.916 ( 0.430 -1.326 3.773) 4.022 17.111 ( -0.303 -1.500 -1.167) 1.925 17.378 ( 0.992 1.395 -3.495) 3.892 17.417 ( -0.231 1.787 -0.078) 1.803 17.520 ( 2.492 1.447 -0.427) 2.913 17.691 ( -1.046 -2.992 1.743) 3.617 17.776 ( 0.609 0.869 -0.059) 1.063 19.273 ( -3.105 2.119 0.825) 3.849 19.471 ( -3.078 -0.634 0.037) 3.142 19.546 ( 1.260 -4.295 0.151) 4.478 19.701 ( 3.536 -1.298 -2.226) 4.376 28.207 ( -1.606 -3.443 -0.795) 3.882 28.263 ( 2.744 -1.164 -0.562) 3.033 28.716 ( -1.598 0.951 -1.146) 2.185 28.861 ( 1.510 -3.773 -0.050) 4.065 29.638 ( -0.961 -2.316 0.764) 2.621 29.779 ( -1.108 -0.619 0.671) 1.436 30.107 ( 0.000 -3.824 1.317) 4.044 30.605 ( 0.581 -4.938 -4.888) 6.973 32.012 ( -1.183 6.250 3.146) 7.096 32.645 ( -8.032 10.802 -4.237) 14.112 32.954 ( 0.183 21.670 11.355) 24.466 34.446 ( 14.114 33.067 -9.041) 37.073 35.695 ( -1.475 -2.395 -1.498) 3.187 35.927 ( 0.198 -6.904 3.295) 7.653 36.140 ( -1.742 -13.786 -0.112) 13.896 36.320 ( 1.804 -14.977 -5.023) 15.899 ======================= Grid point 100 (48/132) ======================= q-point: (-0.17 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -4.630 9.998 3.819) 11.661 1.524 ( 1.518 19.717 2.968) 19.997 1.716 ( 1.046 7.403 2.660) 7.936 2.015 ( 1.934 0.872 -3.707) 4.271 2.205 ( 0.353 0.559 -1.315) 1.472 2.335 ( 1.515 3.555 2.977) 4.878 2.396 ( -1.878 0.032 0.911) 2.087 2.432 ( -5.143 0.405 -2.236) 5.623 2.549 ( -0.428 1.147 1.208) 1.719 2.767 ( -7.507 6.682 2.346) 10.320 3.098 ( -0.886 0.182 -4.269) 4.364 3.224 ( -1.507 8.890 -0.075) 9.017 3.495 ( 0.076 6.923 2.949) 7.525 3.719 ( 0.988 -0.181 -3.761) 3.892 3.844 ( -2.712 -0.590 1.148) 3.003 3.928 ( -0.421 0.388 2.142) 2.217 4.110 ( -0.814 4.847 -0.109) 4.916 4.185 ( 0.483 6.295 1.121) 6.413 4.358 ( 2.495 1.177 -0.296) 2.774 4.419 ( -3.227 7.648 -0.464) 8.314 4.783 ( -1.316 -12.487 0.614) 12.572 5.132 ( 1.152 -0.101 -5.168) 5.296 5.319 ( 2.691 -0.033 2.738) 3.839 5.461 ( -2.387 -2.698 4.368) 5.662 5.582 ( 6.483 0.393 -1.281) 6.620 5.833 ( -1.624 4.288 -0.736) 4.644 5.964 ( 0.977 -6.870 -2.431) 7.353 6.082 ( 0.794 -3.651 1.560) 4.049 6.219 ( 2.086 -0.502 -2.136) 3.027 6.319 ( -1.200 -3.521 0.347) 3.736 6.393 ( -1.901 -1.810 3.126) 4.082 6.752 ( -0.806 -1.477 -0.975) 1.944 7.166 ( 0.185 1.942 -1.864) 2.698 7.196 ( -0.854 1.997 -1.414) 2.591 7.468 ( 2.806 -4.201 -5.267) 7.298 7.499 ( 5.004 -3.470 0.385) 6.102 11.740 ( 3.391 -1.089 1.778) 3.981 12.143 ( 2.530 0.107 -4.700) 5.339 12.372 ( -2.744 0.410 0.891) 2.914 12.408 ( -2.352 1.070 2.318) 3.471 13.996 ( 0.642 -0.641 -0.104) 0.914 14.083 ( 0.228 -2.176 -1.062) 2.432 14.523 ( -1.263 2.648 0.855) 3.056 14.687 ( 0.551 5.139 -1.609) 5.413 16.764 ( 1.841 -0.169 1.909) 2.658 16.926 ( -0.350 -1.584 4.083) 4.394 17.101 ( -0.343 -1.098 -1.158) 1.632 17.397 ( 1.577 1.528 -3.587) 4.206 17.417 ( 0.201 2.077 -0.029) 2.086 17.572 ( 2.636 1.107 -0.441) 2.892 17.669 ( -1.522 -2.656 2.073) 3.697 17.790 ( 0.814 1.322 -0.323) 1.586 19.212 ( -2.942 1.177 1.011) 3.326 19.409 ( -2.827 1.244 -0.707) 3.168 19.566 ( 0.535 -3.335 0.713) 3.452 19.758 ( 2.609 -3.416 -3.014) 5.250 28.185 ( -0.423 -2.700 -0.149) 2.737 28.322 ( 2.987 -1.251 -0.481) 3.274 28.683 ( -1.381 0.851 -0.370) 1.664 28.883 ( 0.672 -3.811 -0.791) 3.950 29.620 ( -0.858 -2.164 0.520) 2.385 29.757 ( -1.075 -0.963 0.895) 1.698 30.106 ( -0.286 -3.152 1.129) 3.360 30.611 ( 0.913 -4.999 -4.665) 6.898 31.993 ( -1.202 6.024 2.732) 6.723 32.485 ( -6.644 10.860 -3.034) 13.088 32.982 ( 0.334 21.907 12.104) 25.031 34.776 ( 21.102 24.121 -13.548) 34.794 35.676 ( -0.318 -3.282 -1.459) 3.606 35.927 ( -0.826 -6.197 3.057) 6.960 35.986 ( -13.199 -10.973 2.416) 17.333 36.384 ( 4.190 -13.083 -6.377) 15.146 ======================= Grid point 101 (49/132) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.901 6.590 0.478) 6.668 1.859 ( -0.232 10.068 0.380) 10.078 1.881 ( 0.138 6.493 -1.353) 6.634 2.075 ( -0.332 2.723 0.406) 2.773 2.197 ( 0.851 -2.545 0.300) 2.700 2.323 ( 0.962 -2.120 2.071) 3.116 2.368 ( -0.174 -0.126 -0.502) 0.546 2.408 ( 1.414 -0.166 -0.163) 1.433 2.478 ( 3.807 -5.189 -0.086) 6.436 2.884 ( -1.980 6.723 -2.207) 7.348 3.121 ( -0.254 5.164 2.848) 5.903 3.313 ( -1.319 3.429 0.323) 3.688 3.630 ( -0.773 5.983 0.122) 6.034 3.699 ( -1.723 -2.460 -4.351) 5.287 3.803 ( -1.271 -0.765 4.710) 4.938 3.877 ( -0.383 -2.699 -5.147) 5.824 4.171 ( -1.292 4.537 -3.638) 5.957 4.310 ( 1.266 3.547 1.096) 3.923 4.464 ( 2.923 2.664 2.360) 4.606 4.516 ( 0.325 2.153 -2.271) 3.146 4.636 ( -1.297 2.390 3.673) 4.570 5.013 ( -0.695 -9.341 -2.141) 9.608 5.308 ( 1.943 -5.277 0.611) 5.657 5.474 ( -0.621 5.242 1.078) 5.387 5.650 ( 1.286 -2.805 0.135) 3.089 5.830 ( -2.557 2.392 0.437) 3.528 5.909 ( 2.927 -3.110 -1.154) 4.424 6.029 ( -2.782 -0.866 0.919) 3.055 6.215 ( -3.792 1.888 -6.049) 7.384 6.256 ( 0.547 0.027 1.205) 1.324 6.446 ( 3.354 2.105 5.338) 6.646 6.711 ( 0.333 -1.757 -1.167) 2.136 7.168 ( -0.151 -0.115 -2.596) 2.602 7.224 ( -0.005 1.042 -2.707) 2.900 7.405 ( 0.146 -2.718 0.650) 2.799 7.446 ( 0.549 -6.291 1.371) 6.462 11.751 ( -0.542 -0.906 1.585) 1.904 12.190 ( 2.120 0.289 -4.790) 5.246 12.354 ( 0.099 0.472 1.635) 1.705 12.384 ( -1.602 0.253 2.329) 2.838 13.997 ( 0.156 -0.208 -0.238) 0.352 14.049 ( 0.164 -1.419 -0.769) 1.622 14.554 ( -0.203 1.706 1.171) 2.080 14.765 ( -0.206 2.800 -1.680) 3.272 16.803 ( 1.416 0.295 1.078) 1.803 16.888 ( -1.873 -0.480 4.070) 4.506 17.081 ( 0.015 -0.666 -1.247) 1.414 17.441 ( 1.004 0.744 -3.927) 4.121 17.459 ( 0.338 1.332 0.339) 1.415 17.585 ( -1.797 -0.934 -0.198) 2.035 17.633 ( 1.076 -0.255 1.798) 2.111 17.828 ( 0.311 1.031 -0.998) 1.468 19.196 ( -0.295 0.653 0.945) 1.186 19.411 ( -0.174 1.210 -1.364) 1.832 19.526 ( -0.222 -1.269 0.608) 1.425 19.705 ( 0.207 -3.058 -1.954) 3.634 28.146 ( 0.516 -1.593 0.596) 1.777 28.319 ( -0.577 -1.206 -1.981) 2.390 28.691 ( 1.063 0.493 0.498) 1.273 28.824 ( -0.595 -1.894 -1.215) 2.327 29.576 ( -0.282 -1.276 0.181) 1.319 29.740 ( 0.498 -0.016 -1.334) 1.424 30.060 ( -0.565 -1.249 1.078) 1.744 30.532 ( 0.809 -3.400 -4.995) 6.097 32.079 ( -0.386 3.593 2.831) 4.590 32.581 ( 0.167 5.823 -3.043) 6.572 33.357 ( -0.774 12.942 13.473) 18.698 35.320 ( 6.451 6.221 -3.528) 9.631 35.573 ( -0.019 -2.766 -4.458) 5.247 35.716 ( -5.425 -0.106 -1.903) 5.750 35.840 ( -1.692 0.199 0.670) 1.831 36.183 ( 1.350 -11.694 -3.828) 12.378 ======================= Grid point 102 (50/132) ======================= q-point: ( 0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 2.617 6.616 0.820) 7.162 1.797 ( -5.281 12.365 0.070) 13.446 1.905 ( 1.254 3.687 -0.526) 3.930 2.043 ( -1.544 -0.047 1.384) 2.073 2.215 ( 1.539 -3.587 0.840) 3.993 2.387 ( 3.152 1.497 1.311) 3.727 2.392 ( 3.247 2.126 -0.347) 3.897 2.455 ( 2.382 -2.437 0.430) 3.435 2.621 ( 9.586 -4.363 2.349) 10.791 2.860 ( 0.437 5.263 -4.877) 7.189 3.147 ( 2.526 3.578 2.786) 5.191 3.290 ( -1.005 4.496 0.139) 4.609 3.596 ( -3.054 6.131 0.127) 6.850 3.635 ( -3.076 -1.470 -6.435) 7.282 3.795 ( -0.590 -1.822 3.415) 3.916 3.866 ( 0.329 -3.886 -3.920) 5.529 4.159 ( 0.515 4.939 -2.366) 5.501 4.321 ( -0.364 4.212 0.145) 4.231 4.471 ( -1.885 -0.327 3.117) 3.657 4.551 ( 2.669 1.685 -1.159) 3.363 4.644 ( 1.716 4.146 2.878) 5.331 5.009 ( 0.647 -7.774 -2.078) 8.073 5.310 ( -0.854 -4.362 1.383) 4.655 5.468 ( -0.870 5.343 1.811) 5.708 5.619 ( -3.818 -1.152 -0.439) 4.012 5.838 ( 2.058 1.912 -1.876) 3.378 5.944 ( -0.003 -4.223 -1.700) 4.552 5.954 ( -2.803 -2.911 1.287) 4.241 6.130 ( -3.714 2.390 -5.381) 6.961 6.264 ( -0.283 0.792 1.522) 1.739 6.518 ( 2.755 1.567 5.276) 6.155 6.722 ( 0.910 -1.424 -0.688) 1.824 7.174 ( 1.305 -0.159 -2.875) 3.161 7.215 ( -0.393 1.465 -3.300) 3.632 7.408 ( -0.013 -1.521 1.559) 2.178 7.437 ( -1.562 -6.119 1.231) 6.434 11.711 ( -3.414 -0.790 1.355) 3.757 12.188 ( -1.407 0.350 -4.014) 4.267 12.381 ( 1.961 0.535 1.496) 2.524 12.395 ( 2.173 -0.060 1.932) 2.908 13.991 ( -0.690 -0.283 -0.172) 0.766 14.048 ( -0.089 -1.486 -0.758) 1.670 14.563 ( 0.832 1.752 1.093) 2.226 14.757 ( -0.248 2.940 -1.766) 3.439 16.816 ( -1.017 0.715 2.551) 2.838 16.860 ( -1.031 -0.736 2.776) 3.051 17.080 ( 0.186 -0.792 -1.386) 1.607 17.442 ( -0.310 0.785 -3.263) 3.370 17.462 ( -0.067 1.265 0.524) 1.371 17.547 ( -1.883 -0.186 -0.852) 2.076 17.646 ( 0.037 -1.021 1.870) 2.130 17.819 ( -1.035 0.844 -0.720) 1.518 19.225 ( 2.944 0.817 0.723) 3.140 19.420 ( 1.260 0.579 -1.297) 1.899 19.513 ( -1.218 -1.094 0.363) 1.677 19.698 ( -0.603 -2.361 -1.824) 3.044 28.162 ( 0.825 -1.993 1.039) 2.394 28.278 ( -2.790 -1.145 -2.274) 3.777 28.732 ( 2.483 0.357 0.837) 2.645 28.798 ( -1.634 -1.698 -1.637) 2.869 29.578 ( 0.491 -1.520 -0.012) 1.597 29.760 ( 1.655 0.327 -1.244) 2.096 30.048 ( -0.776 -1.474 0.976) 1.931 30.535 ( 0.373 -3.480 -4.793) 5.935 32.088 ( 0.727 3.633 2.926) 4.721 32.646 ( 6.830 5.706 -3.569) 9.589 33.349 ( -2.458 12.989 13.465) 18.870 35.353 ( -7.328 7.215 2.812) 10.662 35.550 ( 2.732 2.917 -15.188) 15.705 35.654 ( 0.808 -3.978 2.276) 4.654 35.821 ( -0.694 -0.741 -0.132) 1.023 36.176 ( -1.436 -12.390 -2.349) 12.693 ======================= Grid point 103 (51/132) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 3.070 5.964 0.499) 6.726 1.693 ( -5.257 12.933 3.900) 14.495 1.911 ( 0.087 -0.121 -3.539) 3.542 2.022 ( -1.761 1.760 2.598) 3.599 2.261 ( 2.809 -2.459 0.397) 3.754 2.407 ( 0.257 1.172 -1.064) 1.603 2.467 ( 0.544 -1.003 2.455) 2.707 2.495 ( 3.290 4.144 -0.730) 5.342 2.779 ( 5.396 -2.385 1.103) 6.002 2.888 ( 3.383 0.634 -7.715) 8.448 3.225 ( 4.103 5.623 4.503) 8.290 3.279 ( 0.504 2.680 0.796) 2.840 3.515 ( -4.619 3.604 -0.698) 5.900 3.592 ( -0.500 0.719 -3.266) 3.381 3.792 ( 0.026 -2.851 1.843) 3.395 3.873 ( 0.917 -6.207 -2.467) 6.742 4.177 ( 1.520 5.377 -0.957) 5.669 4.298 ( -1.773 3.976 -0.745) 4.417 4.430 ( -2.853 -1.483 2.925) 4.347 4.589 ( 1.305 0.462 -0.550) 1.489 4.707 ( 3.899 5.615 1.711) 7.047 5.024 ( 1.173 -5.020 -1.035) 5.258 5.313 ( 0.987 -4.721 0.480) 4.847 5.402 ( -6.348 2.974 3.417) 7.799 5.577 ( 0.136 2.642 -2.620) 3.724 5.807 ( -3.284 -1.973 -4.958) 6.266 5.939 ( 1.451 -0.253 -0.316) 1.506 5.966 ( 0.605 -3.663 2.124) 4.277 6.072 ( -0.721 0.991 -5.431) 5.568 6.241 ( -2.375 0.393 1.581) 2.880 6.557 ( 0.029 0.982 5.778) 5.860 6.741 ( 0.967 -1.298 0.136) 1.625 7.199 ( 0.748 1.996 -3.579) 4.166 7.206 ( 1.216 0.437 -3.341) 3.583 7.393 ( -2.169 -1.643 2.564) 3.738 7.418 ( -0.131 -2.952 0.531) 3.003 11.650 ( -2.716 -0.549 1.513) 3.157 12.144 ( -1.975 0.195 -3.919) 4.393 12.423 ( 1.897 0.645 1.484) 2.494 12.443 ( 1.976 -0.252 1.562) 2.532 13.975 ( -0.815 -0.461 -0.189) 0.956 14.044 ( -0.156 -1.588 -0.849) 1.808 14.583 ( 0.908 1.658 0.999) 2.138 14.752 ( 0.075 3.176 -1.509) 3.517 16.778 ( -2.653 0.909 3.535) 4.513 16.864 ( 0.513 -0.728 2.190) 2.364 17.083 ( 0.320 -0.950 -1.365) 1.694 17.421 ( -1.068 0.960 -2.793) 3.140 17.459 ( -0.357 1.107 0.329) 1.209 17.519 ( -0.734 0.761 -1.382) 1.740 17.645 ( -0.375 -1.970 1.937) 2.789 17.795 ( -1.127 0.421 -0.481) 1.296 19.299 ( 4.362 1.124 0.540) 4.537 19.441 ( 0.519 -0.556 -0.620) 0.981 19.486 ( -1.184 -1.605 0.074) 1.996 19.680 ( -0.827 -0.780 -1.847) 2.169 28.175 ( 0.272 -2.245 0.900) 2.434 28.227 ( -1.818 -0.987 -1.905) 2.812 28.760 ( -0.500 -0.415 -1.629) 1.754 28.779 ( 0.747 -0.781 0.495) 1.189 29.592 ( 0.836 -1.675 0.014) 1.872 29.788 ( 1.227 0.534 -1.538) 2.039 30.039 ( -0.312 -1.789 1.313) 2.241 30.530 ( -0.013 -3.439 -4.804) 5.908 32.111 ( 0.865 3.772 3.333) 5.108 32.794 ( 8.188 5.206 -4.719) 10.790 33.319 ( -2.940 12.854 12.902) 18.449 35.110 ( -13.459 19.493 -3.815) 23.993 35.662 ( 8.100 -7.614 -5.359) 12.341 35.689 ( 1.640 -2.878 0.020) 3.313 35.815 ( 0.534 -0.511 -0.955) 1.208 36.125 ( -3.466 -13.397 -0.815) 13.862 ======================= Grid point 104 (52/132) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -2.462 4.464 -0.236) 5.103 1.662 ( 2.284 13.337 6.380) 14.960 1.912 ( 1.045 -1.397 -4.442) 4.773 1.977 ( -3.085 4.622 1.394) 5.730 2.289 ( -0.770 0.076 -0.317) 0.836 2.400 ( -0.111 -1.059 -2.779) 2.976 2.453 ( -1.740 -3.894 1.792) 4.626 2.529 ( -0.294 8.076 -1.233) 8.175 2.799 ( -3.398 -1.055 -1.447) 3.841 2.941 ( 2.980 -1.041 -6.099) 6.867 3.241 ( -0.984 5.038 1.487) 5.345 3.360 ( 2.801 5.379 4.762) 7.711 3.449 ( -0.246 0.367 2.115) 2.161 3.612 ( 2.960 0.364 -1.338) 3.269 3.807 ( 1.121 -2.891 1.350) 3.382 3.890 ( 1.047 -7.123 -1.376) 7.329 4.201 ( 0.832 5.707 0.870) 5.833 4.271 ( -0.218 2.576 -2.223) 3.410 4.376 ( -3.167 0.137 1.552) 3.530 4.594 ( -0.592 -0.766 -1.104) 1.468 4.762 ( 0.589 5.965 1.886) 6.284 5.053 ( 1.690 -3.100 -0.637) 3.588 5.279 ( -4.508 0.285 0.739) 4.577 5.355 ( 1.889 -5.719 1.494) 6.206 5.579 ( 0.081 5.191 -2.263) 5.664 5.760 ( -0.284 -3.654 -4.975) 6.179 5.967 ( 1.716 -1.005 1.202) 2.324 5.982 ( 1.003 -0.069 -0.761) 1.261 6.088 ( 2.523 -0.474 -3.124) 4.044 6.200 ( -1.332 -0.647 1.148) 1.874 6.539 ( -2.791 1.287 5.448) 6.255 6.751 ( -0.102 -1.434 0.504) 1.523 7.202 ( 0.835 2.999 -4.076) 5.128 7.230 ( 1.029 -0.338 -2.816) 3.017 7.362 ( -1.194 -0.049 2.451) 2.727 7.416 ( -0.256 -2.536 0.495) 2.596 11.627 ( 0.091 -0.384 1.806) 1.848 12.111 ( -0.497 0.025 -4.440) 4.468 12.447 ( 0.085 0.748 1.787) 1.939 12.465 ( 0.133 -0.269 1.349) 1.382 13.964 ( -0.127 -0.559 -0.283) 0.640 14.041 ( 0.002 -1.626 -0.947) 1.881 14.595 ( 0.009 1.527 0.990) 1.820 14.755 ( 0.466 3.270 -1.170) 3.504 16.744 ( -1.307 0.880 2.916) 3.314 16.880 ( 0.680 -0.598 2.989) 3.123 17.086 ( 0.243 -1.033 -1.168) 1.578 17.401 ( -0.248 0.987 -3.211) 3.369 17.452 ( -0.385 1.077 0.019) 1.144 17.518 ( 0.912 1.293 -1.071) 1.910 17.641 ( -0.467 -2.469 1.902) 3.151 17.781 ( -0.140 0.186 -0.496) 0.548 19.361 ( 0.112 2.366 0.648) 2.456 19.431 ( 0.636 -2.481 0.137) 2.565 19.480 ( -0.180 -2.039 -0.163) 2.054 19.668 ( 0.162 0.215 -2.048) 2.066 28.173 ( -0.649 -2.113 0.276) 2.227 28.211 ( 0.580 -0.837 -1.371) 1.708 28.749 ( -0.092 -0.108 -1.387) 1.394 28.789 ( 0.151 -1.078 0.156) 1.100 29.604 ( 0.267 -1.592 0.249) 1.633 29.794 ( -0.247 0.346 -1.911) 1.957 30.043 ( 0.360 -1.799 1.752) 2.537 30.521 ( 0.134 -3.343 -5.021) 6.034 32.125 ( -0.200 3.872 3.667) 5.337 32.881 ( 0.766 4.634 -5.351) 7.119 33.295 ( -1.678 12.747 12.332) 17.815 34.934 ( -2.606 23.356 -6.153) 24.293 35.692 ( -1.030 -1.238 -0.144) 1.617 35.774 ( 2.503 -6.895 0.805) 7.379 35.868 ( 5.961 -5.361 -4.066) 8.989 36.052 ( -3.522 -13.707 -0.182) 14.154 ======================= Grid point 105 (53/132) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -3.196 4.245 0.657) 5.354 1.750 ( 4.856 12.266 3.930) 13.766 1.920 ( -2.080 3.301 -1.152) 4.068 1.945 ( 2.394 3.021 -1.536) 4.150 2.242 ( -2.998 -1.409 -1.583) 3.671 2.387 ( -1.482 3.494 -3.051) 4.870 2.419 ( -1.565 -5.064 0.475) 5.322 2.487 ( -3.287 3.718 0.080) 4.963 2.673 ( -8.578 -1.092 -1.994) 8.874 2.960 ( -0.154 0.592 -3.860) 3.908 3.212 ( -3.045 6.859 2.282) 7.844 3.341 ( -1.651 2.269 3.267) 4.307 3.535 ( 5.165 2.152 2.202) 6.013 3.680 ( 3.548 -0.091 -0.304) 3.562 3.831 ( 0.736 -2.113 1.647) 2.778 3.895 ( -0.410 -5.600 -1.092) 5.721 4.219 ( 0.843 5.446 1.446) 5.697 4.283 ( 1.089 1.964 -4.652) 5.166 4.330 ( -0.742 1.594 2.274) 2.875 4.567 ( -1.705 -0.269 -2.317) 2.889 4.731 ( -3.480 4.845 2.993) 6.674 5.060 ( -0.817 -5.499 0.417) 5.575 5.231 ( -0.807 -3.591 -1.425) 3.946 5.422 ( 4.517 -2.017 2.655) 5.615 5.574 ( 0.126 5.192 -2.777) 5.890 5.780 ( 2.968 -3.493 -4.313) 6.293 5.977 ( -2.122 1.688 -0.941) 2.870 6.005 ( 1.827 -2.433 3.808) 4.874 6.155 ( 5.389 1.805 -4.137) 7.029 6.212 ( 1.925 -2.659 0.673) 3.352 6.478 ( -4.266 1.924 4.666) 6.609 6.738 ( -1.171 -1.765 0.090) 2.120 7.207 ( -0.061 1.725 -3.498) 3.901 7.232 ( 0.013 0.044 -2.807) 2.807 7.363 ( 0.883 -0.426 1.966) 2.197 7.413 ( -0.027 -2.881 0.692) 2.963 11.659 ( 2.745 -0.415 2.016) 3.431 12.112 ( 1.446 -0.017 -4.835) 5.047 12.427 ( -2.331 0.196 1.118) 2.593 12.458 ( -1.295 0.434 2.187) 2.579 13.970 ( 0.731 -0.495 -0.355) 0.951 14.041 ( 0.234 -1.554 -0.955) 1.839 14.586 ( -1.008 1.471 1.074) 2.081 14.764 ( 0.530 3.125 -1.081) 3.349 16.743 ( 0.617 0.724 1.957) 2.176 16.898 ( 0.427 -0.524 3.783) 3.843 17.087 ( 0.006 -0.880 -1.041) 1.363 17.403 ( 1.022 0.978 -3.785) 4.040 17.447 ( -0.010 1.154 -0.217) 1.174 17.548 ( 2.227 1.205 -0.550) 2.591 17.633 ( -0.710 -2.410 1.904) 3.152 17.789 ( 1.023 0.381 -0.720) 1.307 19.306 ( -4.264 1.038 0.799) 4.461 19.459 ( -1.074 -0.492 0.011) 1.181 19.481 ( 2.229 -2.055 0.112) 3.034 19.679 ( 1.166 -0.829 -2.083) 2.527 28.156 ( -0.906 -1.700 -0.163) 1.933 28.242 ( 2.738 -0.840 -0.964) 3.022 28.736 ( -1.437 1.044 -1.079) 2.078 28.799 ( 1.112 -2.404 -0.187) 2.655 29.601 ( -0.611 -1.320 0.434) 1.518 29.775 ( -1.267 -0.026 -1.929) 2.308 30.055 ( 0.475 -1.533 1.811) 2.419 30.519 ( 0.613 -3.309 -5.254) 6.239 32.115 ( -1.388 3.824 3.558) 5.405 32.800 ( -7.253 5.009 -4.550) 9.920 33.303 ( 0.119 12.726 12.335) 17.723 34.993 ( 8.826 22.225 -8.377) 25.338 35.655 ( -2.717 -1.796 -0.283) 3.269 35.788 ( -0.478 -7.268 1.757) 7.493 35.931 ( -1.066 -6.613 1.021) 6.775 36.048 ( 4.662 -11.725 -4.561) 13.416 ======================= Grid point 106 (54/132) ======================= q-point: (-0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -1.430 5.231 0.259) 5.429 1.832 ( 2.644 9.949 1.472) 10.399 1.889 ( -0.606 7.001 -1.157) 7.122 2.015 ( 4.820 2.386 0.370) 5.391 2.195 ( -1.250 -1.561 -1.453) 2.472 2.341 ( -2.372 0.765 0.732) 2.597 2.397 ( -0.830 -0.990 -2.604) 2.907 2.432 ( -2.461 -0.111 1.228) 2.753 2.503 ( -7.309 -3.870 -1.770) 8.458 2.930 ( -2.104 4.321 -2.400) 5.372 3.148 ( -3.190 7.246 3.486) 8.651 3.331 ( -0.564 1.891 1.194) 2.306 3.614 ( 2.615 3.692 0.967) 4.626 3.717 ( 0.335 -0.969 -1.489) 1.808 3.826 ( -1.639 -0.899 4.200) 4.597 3.887 ( 0.217 -3.565 -4.297) 5.587 4.212 ( -1.803 4.571 -2.686) 5.600 4.283 ( 0.972 2.979 -0.155) 3.137 4.384 ( 4.335 1.930 1.852) 5.093 4.532 ( -1.258 2.074 -2.849) 3.742 4.672 ( -3.013 3.019 3.762) 5.688 5.038 ( -1.379 -8.995 -0.798) 9.135 5.247 ( 2.965 -5.697 -0.737) 6.464 5.482 ( 0.306 4.334 2.419) 4.973 5.599 ( 3.248 0.214 -1.892) 3.765 5.843 ( 4.007 -2.989 -2.968) 5.813 5.907 ( -4.666 1.245 0.740) 4.885 6.041 ( 0.857 -0.503 2.898) 3.064 6.234 ( 2.298 0.625 -2.528) 3.473 6.254 ( 1.906 -0.554 -3.007) 3.603 6.414 ( -2.271 2.114 5.754) 6.537 6.717 ( -0.760 -1.967 -0.769) 2.244 7.186 ( -1.128 0.181 -2.575) 2.817 7.228 ( 0.054 0.982 -2.885) 3.048 7.392 ( 1.377 -3.412 0.361) 3.697 7.422 ( 0.945 -3.335 1.674) 3.850 11.722 ( 2.879 -0.678 1.964) 3.550 12.146 ( 2.832 0.111 -4.924) 5.682 12.378 ( -2.527 0.199 1.067) 2.751 12.425 ( -2.486 0.560 2.507) 3.574 13.986 ( 0.892 -0.323 -0.327) 1.003 14.045 ( 0.326 -1.448 -0.867) 1.719 14.566 ( -1.145 1.556 1.161) 2.254 14.769 ( 0.180 2.891 -1.333) 3.189 16.769 ( 1.709 0.467 1.193) 2.136 16.905 ( -0.583 -0.541 4.194) 4.269 17.084 ( -0.086 -0.668 -1.106) 1.295 17.422 ( 1.567 0.897 -4.079) 4.460 17.451 ( 0.396 1.272 -0.073) 1.334 17.592 ( 2.086 0.788 -0.677) 2.331 17.619 ( -1.031 -2.014 2.366) 3.273 17.812 ( 1.379 0.810 -0.980) 1.876 19.231 ( -3.327 0.667 0.983) 3.533 19.430 ( -1.455 0.726 -0.902) 1.859 19.517 ( 1.120 -1.592 0.647) 2.051 19.697 ( 0.998 -2.422 -2.045) 3.323 28.144 ( -0.308 -1.447 0.017) 1.480 28.298 ( 2.763 -1.015 -1.128) 3.153 28.700 ( -1.666 0.762 -0.599) 1.928 28.822 ( 0.960 -2.214 -0.563) 2.478 29.586 ( -0.818 -1.155 0.391) 1.468 29.748 ( -0.968 -0.187 -1.653) 1.925 30.063 ( 0.032 -1.293 1.481) 1.966 30.525 ( 0.897 -3.326 -5.240) 6.270 32.092 ( -1.434 3.685 3.130) 5.043 32.650 ( -6.392 5.614 -3.451) 9.180 33.334 ( 0.498 12.793 12.926) 18.193 35.172 ( 10.127 16.398 -8.527) 21.075 35.599 ( -2.556 -5.048 -0.086) 5.659 35.775 ( -1.135 -6.605 -0.140) 6.703 35.888 ( -2.975 -0.665 1.453) 3.377 36.136 ( 4.333 -11.407 -4.745) 13.093 ======================= Grid point 107 (55/132) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.396 0.000 -0.126) 1.401 1.925 ( 0.436 0.000 -5.837) 5.854 1.958 ( 0.436 0.000 3.125) 3.155 2.146 ( -3.587 -0.000 0.384) 3.608 2.164 ( 0.510 0.000 -0.628) 0.809 2.298 ( 1.888 0.000 0.839) 2.066 2.366 ( 1.117 0.000 0.120) 1.124 2.403 ( 1.601 0.000 -0.873) 1.823 2.416 ( 2.806 0.000 1.228) 3.063 2.941 ( -0.639 0.000 -7.212) 7.240 3.198 ( -3.117 0.000 5.454) 6.282 3.348 ( 0.070 0.000 4.004) 4.005 3.636 ( -0.471 0.000 -4.777) 4.800 3.701 ( -0.951 0.000 -0.262) 0.986 3.793 ( -2.459 0.000 4.656) 5.266 3.852 ( 0.253 0.000 -5.574) 5.580 4.221 ( -1.122 0.000 -4.173) 4.321 4.342 ( 1.724 0.000 0.379) 1.765 4.491 ( 0.888 0.000 2.706) 2.848 4.530 ( 1.271 0.000 -1.045) 1.646 4.742 ( -1.791 0.000 3.257) 3.717 4.850 ( 0.463 0.000 -0.590) 0.750 5.240 ( 2.721 0.000 -0.385) 2.748 5.552 ( -0.550 0.000 -2.951) 3.001 5.602 ( 0.551 0.000 2.777) 2.831 5.859 ( -2.263 0.000 0.414) 2.301 5.874 ( 2.754 0.000 -0.493) 2.798 6.025 ( -3.803 0.000 0.136) 3.805 6.253 ( 1.187 0.000 1.314) 1.771 6.254 ( -3.292 -0.000 -5.429) 6.349 6.474 ( 3.337 0.000 4.948) 5.968 6.687 ( 0.574 0.000 -1.224) 1.352 7.167 ( -0.208 0.000 -3.026) 3.034 7.224 ( 0.224 0.000 -4.191) 4.197 7.368 ( 0.488 0.000 3.287) 3.323 7.389 ( -0.453 0.000 2.636) 2.674 11.742 ( -0.575 0.000 1.652) 1.750 12.193 ( 2.195 0.000 -4.855) 5.328 12.359 ( 0.331 0.000 1.557) 1.591 12.387 ( -1.931 0.000 2.478) 3.142 13.995 ( 0.178 0.000 -0.338) 0.382 14.034 ( 0.149 0.000 -0.706) 0.722 14.571 ( -0.157 0.000 1.329) 1.338 14.794 ( -0.204 0.000 -1.549) 1.562 16.806 ( 1.412 0.000 0.700) 1.576 16.886 ( -1.830 0.000 4.395) 4.761 17.074 ( -0.032 0.000 -1.320) 1.320 17.448 ( 0.938 0.000 -4.083) 4.189 17.473 ( 0.367 0.000 0.277) 0.460 17.573 ( -1.534 0.000 0.511) 1.617 17.633 ( 0.835 0.000 1.051) 1.342 17.839 ( 0.337 0.000 -1.225) 1.270 19.203 ( -0.249 0.000 0.963) 0.995 19.423 ( -0.198 0.000 -1.426) 1.440 19.514 ( -0.084 0.000 0.615) 0.621 19.673 ( 0.189 0.000 -1.489) 1.501 28.130 ( 0.366 0.000 0.477) 0.601 28.306 ( -0.569 0.000 -2.319) 2.388 28.697 ( 0.943 0.000 0.430) 1.036 28.805 ( -0.465 0.000 -1.062) 1.159 29.563 ( -0.391 0.000 0.077) 0.398 29.740 ( 0.734 0.000 -1.958) 2.091 30.048 ( -0.623 0.000 1.125) 1.286 30.497 ( 0.770 0.000 -5.158) 5.215 32.116 ( -0.413 0.000 2.940) 2.968 32.639 ( 0.204 0.000 -3.172) 3.179 33.488 ( -0.729 0.000 13.753) 13.772 35.393 ( -1.678 0.000 2.618) 3.109 35.528 ( 5.474 0.000 -6.667) 8.627 35.707 ( -1.996 0.000 -2.427) 3.142 35.897 ( -2.133 0.000 -3.759) 4.322 36.021 ( 0.964 -0.000 -1.498) 1.781 ======================= Grid point 109 (56/132) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 2.634 0.000 0.748) 2.739 1.912 ( -0.585 0.000 -6.105) 6.133 1.932 ( -3.978 0.000 1.536) 4.265 2.079 ( -1.993 -0.000 3.290) 3.846 2.160 ( 0.646 0.000 1.042) 1.226 2.398 ( 1.918 0.000 -0.635) 2.021 2.428 ( 0.881 0.000 0.529) 1.028 2.442 ( 10.212 0.000 0.242) 10.215 2.548 ( 8.633 0.000 1.626) 8.785 2.913 ( -0.646 0.000 -8.950) 8.974 3.197 ( 2.456 0.000 4.472) 5.102 3.340 ( -1.662 0.000 4.005) 4.336 3.591 ( -2.456 0.000 -7.831) 8.207 3.668 ( -2.664 0.000 -1.107) 2.885 3.761 ( -1.890 0.000 6.804) 7.062 3.835 ( -0.771 0.000 -5.695) 5.747 4.209 ( 0.586 0.000 -3.035) 3.091 4.369 ( 0.947 0.000 -0.514) 1.078 4.446 ( -4.227 0.000 2.421) 4.872 4.584 ( 2.493 0.000 0.938) 2.664 4.744 ( 1.622 0.000 1.909) 2.505 4.880 ( 2.470 0.000 0.030) 2.471 5.254 ( -0.735 0.000 1.553) 1.718 5.561 ( 2.075 -0.000 -3.195) 3.810 5.573 ( -4.931 0.000 3.001) 5.773 5.864 ( 3.262 0.000 -1.464) 3.576 5.890 ( -3.462 0.000 -3.261) 4.756 5.930 ( -2.555 0.000 1.327) 2.880 6.175 ( -3.864 0.000 -4.716) 6.097 6.270 ( -0.123 0.000 2.107) 2.110 6.540 ( 2.269 0.000 4.876) 5.378 6.703 ( 1.122 0.000 -0.489) 1.224 7.170 ( 1.129 0.000 -3.174) 3.369 7.224 ( 0.553 0.000 -4.262) 4.298 7.378 ( -1.125 0.000 2.136) 2.415 7.387 ( 0.642 0.000 3.520) 3.578 11.703 ( -3.296 0.000 1.386) 3.576 12.192 ( -1.438 0.000 -4.051) 4.298 12.387 ( 1.546 0.000 1.645) 2.257 12.393 ( 2.474 0.000 1.860) 3.095 13.988 ( -0.780 0.000 -0.257) 0.821 14.033 ( -0.135 0.000 -0.706) 0.719 14.581 ( 0.786 0.000 1.301) 1.520 14.787 ( -0.144 0.000 -1.671) 1.677 16.823 ( -0.379 0.000 1.740) 1.781 16.854 ( -1.547 0.000 3.509) 3.835 17.072 ( 0.114 0.000 -1.442) 1.446 17.449 ( -0.194 0.000 -3.507) 3.512 17.476 ( -0.084 0.000 0.524) 0.530 17.543 ( -1.397 0.000 -0.496) 1.482 17.637 ( -0.507 0.000 1.501) 1.585 17.827 ( -1.225 0.000 -0.961) 1.557 19.232 ( 2.991 0.000 0.800) 3.097 19.427 ( 0.815 0.000 -1.442) 1.656 19.501 ( -1.380 0.000 0.581) 1.497 19.674 ( 0.131 0.000 -1.551) 1.556 28.142 ( 0.648 0.000 0.853) 1.072 28.266 ( -2.669 0.000 -2.587) 3.717 28.736 ( 2.495 0.000 0.846) 2.634 28.781 ( -1.601 0.000 -1.519) 2.206 29.563 ( 0.389 0.000 -0.233) 0.454 29.764 ( 1.881 0.000 -1.774) 2.585 30.034 ( -0.945 0.000 0.993) 1.371 30.499 ( 0.369 0.000 -4.922) 4.936 32.125 ( 0.774 0.000 3.022) 3.119 32.702 ( 6.642 0.000 -3.647) 7.578 33.481 ( -2.517 0.000 13.845) 14.072 35.421 ( 4.167 0.000 1.102) 4.310 35.585 ( -8.138 0.000 -9.868) 12.791 35.609 ( 1.932 0.000 1.127) 2.236 35.855 ( -0.891 0.000 -3.294) 3.412 36.008 ( -2.128 -0.000 -0.578) 2.205 ======================= Grid point 111 (57/132) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 2.320 -0.000 0.495) 2.373 1.848 ( -4.119 0.000 3.109) 5.161 1.889 ( -0.480 -0.000 -5.495) 5.516 2.063 ( -0.952 0.000 3.463) 3.592 2.203 ( 3.356 0.000 1.203) 3.565 2.405 ( -3.580 0.000 2.048) 4.124 2.434 ( 1.775 0.000 -1.003) 2.039 2.633 ( 8.271 0.000 -2.456) 8.628 2.687 ( 4.795 0.000 0.936) 4.885 2.901 ( 1.571 0.000 -11.120) 11.231 3.303 ( 7.202 0.000 5.670) 9.166 3.307 ( -2.118 0.000 3.449) 4.048 3.543 ( -0.706 0.000 -6.808) 6.845 3.587 ( -5.508 0.000 -0.003) 5.508 3.744 ( -1.160 0.000 7.616) 7.704 3.818 ( 0.379 0.000 -6.494) 6.505 4.230 ( 1.800 0.000 -1.377) 2.266 4.363 ( -4.542 0.000 3.078) 5.487 4.375 ( -0.138 0.000 -1.801) 1.806 4.614 ( 0.334 0.000 1.078) 1.129 4.811 ( 5.017 0.000 0.521) 5.044 4.929 ( 2.226 0.000 0.774) 2.357 5.248 ( 0.047 0.000 2.064) 2.065 5.441 ( -8.480 0.000 2.401) 8.814 5.607 ( 2.829 0.000 -3.926) 4.839 5.780 ( -4.536 0.000 -5.705) 7.289 5.925 ( -0.300 0.000 4.082) 4.093 5.942 ( 4.213 0.000 -2.342) 4.820 6.104 ( -2.061 0.000 -5.007) 5.415 6.245 ( -2.742 0.000 2.163) 3.493 6.571 ( -0.069 0.000 5.588) 5.588 6.724 ( 0.943 0.000 0.477) 1.057 7.196 ( 1.967 0.000 -2.979) 3.570 7.229 ( 0.798 0.000 -4.548) 4.617 7.360 ( -0.970 0.000 1.733) 1.986 7.399 ( -0.092 0.000 3.164) 3.166 11.645 ( -2.599 0.000 1.517) 3.009 12.146 ( -2.078 0.000 -3.909) 4.427 12.430 ( 2.155 0.000 1.415) 2.578 12.440 ( 1.719 0.000 1.731) 2.439 13.970 ( -0.901 0.000 -0.256) 0.936 14.028 ( -0.205 0.000 -0.814) 0.840 14.600 ( 0.812 0.000 1.221) 1.466 14.784 ( 0.170 0.000 -1.468) 1.478 16.789 ( -2.630 0.000 3.384) 4.286 16.857 ( 0.596 0.000 2.165) 2.245 17.073 ( 0.243 0.000 -1.331) 1.353 17.430 ( -0.971 0.000 -2.943) 3.099 17.472 ( -0.441 0.000 0.370) 0.575 17.526 ( -0.199 0.000 -1.363) 1.378 17.625 ( -0.850 0.000 1.807) 1.997 17.798 ( -1.350 0.000 -0.720) 1.530 19.308 ( 4.479 0.000 0.648) 4.525 19.444 ( 1.119 0.000 -1.012) 1.509 19.463 ( -2.737 0.000 0.565) 2.795 19.672 ( 0.040 0.000 -1.818) 1.819 28.153 ( 0.246 0.000 0.812) 0.849 28.216 ( -1.700 0.000 -2.144) 2.736 28.751 ( -1.013 0.000 -1.410) 1.737 28.776 ( 1.315 0.000 0.391) 1.372 29.575 ( 0.825 0.000 -0.260) 0.865 29.794 ( 1.282 0.000 -2.176) 2.526 30.022 ( -0.415 0.000 1.421) 1.480 30.494 ( 0.041 0.000 -4.857) 4.857 32.149 ( 0.934 0.000 3.427) 3.552 32.844 ( 7.777 0.000 -4.683) 9.078 33.450 ( -3.064 0.000 13.315) 13.663 35.356 ( -11.221 0.000 -7.516) 13.506 35.539 ( 7.555 -0.000 -0.371) 7.565 35.659 ( 2.024 0.000 -0.411) 2.065 35.852 ( 0.877 0.000 -2.510) 2.659 35.940 ( -4.926 -0.000 0.464) 4.947 ======================= Grid point 113 (58/132) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.562 0.000 -1.109) 2.792 1.828 ( 1.499 0.000 5.339) 5.545 1.880 ( 0.517 0.000 -4.642) 4.670 2.053 ( -0.393 0.000 2.688) 2.717 2.276 ( 3.608 0.000 -0.137) 3.611 2.308 ( -6.106 0.000 1.049) 6.196 2.451 ( 0.111 0.000 -1.292) 1.296 2.692 ( -2.046 -0.000 -4.211) 4.682 2.716 ( -1.858 0.000 0.049) 1.858 2.929 ( 2.999 0.000 -10.352) 10.777 3.284 ( -0.791 0.000 2.965) 3.069 3.446 ( 1.917 0.000 2.446) 3.108 3.506 ( 1.229 -0.000 7.186) 7.290 3.543 ( 1.589 0.000 -4.321) 4.603 3.754 ( 0.955 0.000 7.611) 7.670 3.825 ( 1.376 0.000 -7.286) 7.415 4.261 ( 1.347 0.000 0.319) 1.384 4.304 ( -1.628 0.000 2.798) 3.237 4.356 ( -1.316 0.000 -3.343) 3.592 4.601 ( -1.514 0.000 0.174) 1.524 4.899 ( 2.363 0.000 0.655) 2.452 4.949 ( -0.654 0.000 0.752) 0.997 5.251 ( -2.309 0.000 1.120) 2.566 5.316 ( -1.173 0.000 1.838) 2.180 5.638 ( 1.234 0.000 -5.358) 5.498 5.725 ( -0.328 0.000 -4.810) 4.821 5.934 ( 0.672 0.000 5.714) 5.753 5.999 ( 1.990 0.000 -2.545) 3.230 6.103 ( 3.097 0.000 -4.987) 5.870 6.194 ( -2.225 0.000 1.724) 2.815 6.556 ( -2.457 0.000 5.678) 6.187 6.733 ( -0.306 0.000 0.760) 0.819 7.221 ( 0.861 0.000 -2.657) 2.793 7.236 ( 0.737 0.000 -4.679) 4.737 7.352 ( -0.064 0.000 1.881) 1.882 7.393 ( -1.032 0.000 2.613) 2.810 11.623 ( 0.133 0.000 1.828) 1.833 12.112 ( -0.559 0.000 -4.449) 4.484 12.455 ( -0.482 0.000 1.386) 1.468 12.462 ( 0.756 0.000 1.897) 2.042 13.959 ( -0.129 0.000 -0.348) 0.371 14.024 ( 0.006 0.000 -0.919) 0.919 14.610 ( -0.065 0.000 1.179) 1.180 14.788 ( 0.448 0.000 -1.151) 1.236 16.755 ( -1.347 0.000 2.714) 3.029 16.875 ( 0.750 0.000 2.974) 3.067 17.076 ( 0.260 0.000 -1.078) 1.109 17.411 ( -0.237 0.000 -3.215) 3.223 17.464 ( -0.385 0.000 -0.025) 0.386 17.532 ( 1.089 0.000 -1.276) 1.677 17.615 ( -0.618 0.000 1.956) 2.052 17.782 ( -0.130 0.000 -0.727) 0.739 19.387 ( 0.942 0.000 0.927) 1.322 19.406 ( -0.883 0.000 0.308) 0.935 19.459 ( 0.377 0.000 -0.541) 0.660 19.670 ( 0.129 0.000 -2.059) 2.063 28.152 ( -0.487 0.000 0.352) 0.601 28.202 ( 0.633 0.000 -1.549) 1.674 28.745 ( 0.655 0.000 -0.822) 1.052 28.782 ( -0.659 0.000 -0.368) 0.755 29.588 ( 0.400 0.000 0.032) 0.402 29.798 ( -0.384 0.000 -2.736) 2.763 30.026 ( 0.447 0.000 1.973) 2.023 30.487 ( 0.175 0.000 -5.033) 5.036 32.164 ( -0.192 0.000 3.771) 3.776 32.926 ( 0.659 0.000 -5.248) 5.289 33.425 ( -1.734 0.000 12.684) 12.802 35.207 ( -1.699 0.000 -8.219) 8.393 35.669 ( 4.056 0.000 -0.192) 4.060 35.683 ( 0.708 0.000 0.020) 0.708 35.844 ( -3.504 0.000 0.434) 3.530 35.874 ( 1.671 -0.000 -1.454) 2.215 ======================= Grid point 115 (59/132) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -3.011 0.000 -1.129) 3.216 1.886 ( 2.714 0.000 3.865) 4.723 1.892 ( 1.455 -0.000 -4.219) 4.463 2.069 ( 1.653 -0.000 3.274) 3.667 2.193 ( -4.840 0.000 -1.180) 4.982 2.341 ( 2.680 0.000 -0.614) 2.750 2.434 ( -1.446 0.000 -1.401) 2.013 2.565 ( -9.168 0.000 -3.511) 9.817 2.624 ( -7.359 0.000 -0.719) 7.394 2.960 ( 1.663 0.000 -8.351) 8.515 3.292 ( 1.072 0.000 2.817) 3.014 3.376 ( -5.710 0.000 6.142) 8.387 3.580 ( 2.635 0.000 -2.328) 3.516 3.631 ( 5.538 0.000 4.490) 7.129 3.798 ( 1.730 0.000 6.707) 6.927 3.838 ( 1.347 0.000 -7.570) 7.689 4.279 ( 0.436 0.000 1.132) 1.213 4.318 ( -1.676 0.000 -4.718) 5.007 4.324 ( 3.071 0.000 2.883) 4.213 4.569 ( -1.516 0.000 -1.396) 2.061 4.874 ( -4.231 0.000 2.867) 5.111 4.912 ( -2.792 0.000 0.182) 2.797 5.180 ( -2.633 0.000 -0.091) 2.635 5.414 ( 7.770 0.000 0.888) 7.820 5.631 ( -1.240 0.000 -4.557) 4.723 5.743 ( 3.007 0.000 -3.977) 4.986 5.981 ( 3.020 0.000 5.349) 6.143 5.994 ( -2.310 0.000 -0.904) 2.481 6.188 ( 6.053 -0.000 -4.530) 7.560 6.189 ( 1.410 0.000 0.256) 1.433 6.502 ( -4.127 0.000 5.193) 6.633 6.716 ( -1.407 0.000 0.155) 1.416 7.214 ( -0.983 0.000 -2.404) 2.597 7.237 ( 0.248 0.000 -4.680) 4.686 7.364 ( 0.814 0.000 2.376) 2.511 7.374 ( -1.237 0.000 2.465) 2.758 11.655 ( 2.655 0.000 2.074) 3.369 12.112 ( 1.478 0.000 -4.885) 5.103 12.428 ( -2.431 0.000 1.100) 2.668 12.462 ( -1.128 0.000 2.362) 2.618 13.965 ( 0.818 0.000 -0.433) 0.926 14.025 ( 0.284 0.000 -0.919) 0.962 14.601 ( -1.007 0.000 1.217) 1.579 14.795 ( 0.412 0.000 -1.030) 1.110 16.751 ( 0.495 0.000 1.727) 1.797 16.893 ( 0.446 0.000 3.811) 3.837 17.078 ( 0.126 0.000 -0.955) 0.964 17.413 ( 1.014 0.000 -3.834) 3.966 17.460 ( 0.039 0.000 -0.286) 0.289 17.561 ( 2.059 0.000 -0.748) 2.191 17.607 ( -0.585 0.000 2.028) 2.110 17.792 ( 1.287 0.000 -0.965) 1.609 19.315 ( -4.582 0.000 0.877) 4.665 19.455 ( -0.649 0.000 -0.520) 0.832 19.462 ( 2.779 0.000 0.545) 2.832 19.670 ( 0.270 0.000 -2.004) 2.022 28.139 ( -0.727 0.000 -0.021) 0.727 28.233 ( 2.699 0.000 -1.163) 2.939 28.753 ( -2.156 0.000 -0.895) 2.335 28.769 ( 1.736 0.000 -0.364) 1.774 29.587 ( -0.449 0.000 0.351) 0.570 29.774 ( -1.346 0.000 -2.821) 3.126 30.041 ( 0.595 0.000 2.006) 2.093 30.485 ( 0.619 0.000 -5.286) 5.322 32.154 ( -1.461 0.000 3.676) 3.956 32.849 ( -6.836 0.000 -4.588) 8.233 33.432 ( 0.088 0.000 12.632) 12.632 35.263 ( 7.975 0.000 -9.570) 12.457 35.610 ( -7.699 0.000 2.864) 8.214 35.694 ( 0.719 0.000 -0.295) 0.777 35.887 ( 5.593 0.000 -2.063) 5.961 35.903 ( 1.469 0.000 -0.788) 1.667 ======================= Grid point 117 (60/132) ======================= q-point: (-0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.622 0.000 -0.863) 1.064 1.915 ( 1.552 0.000 -4.683) 4.934 1.932 ( 1.548 0.000 2.965) 3.345 2.127 ( 3.501 -0.000 2.846) 4.511 2.141 ( -0.032 0.000 -1.449) 1.449 2.377 ( 1.506 0.000 -1.595) 2.194 2.383 ( -8.399 0.000 -0.931) 8.451 2.401 ( -1.639 -0.000 -1.649) 2.325 2.462 ( -8.255 0.000 0.080) 8.255 2.960 ( 0.026 0.000 -7.248) 7.248 3.276 ( -5.738 0.000 7.006) 9.056 3.325 ( 1.506 0.000 3.352) 3.675 3.624 ( 2.040 0.000 -2.053) 2.895 3.701 ( 1.310 0.000 1.765) 2.198 3.820 ( -0.748 0.000 4.795) 4.853 3.848 ( 1.104 0.000 -6.878) 6.966 4.260 ( -1.958 0.000 -4.032) 4.483 4.310 ( 1.343 0.000 0.063) 1.344 4.411 ( 4.883 0.000 2.982) 5.722 4.544 ( -0.874 0.000 -2.039) 2.219 4.794 ( -4.175 0.000 3.852) 5.681 4.865 ( -1.781 0.000 -0.425) 1.831 5.178 ( 2.508 0.000 -0.978) 2.692 5.548 ( 5.132 -0.000 1.508) 5.349 5.586 ( -2.206 0.000 -3.240) 3.920 5.809 ( 4.088 0.000 -2.517) 4.800 5.924 ( -4.287 0.000 0.781) 4.357 6.040 ( 1.527 0.000 3.489) 3.808 6.224 ( 1.774 0.000 0.158) 1.781 6.282 ( 3.196 0.000 -6.483) 7.228 6.438 ( -2.202 0.000 6.223) 6.601 6.691 ( -0.812 0.000 -0.897) 1.210 7.186 ( -1.196 0.000 -2.572) 2.837 7.230 ( -0.051 0.000 -4.493) 4.493 7.362 ( -0.436 0.000 2.800) 2.833 7.383 ( 0.538 0.000 2.730) 2.782 11.715 ( 2.702 0.000 2.037) 3.384 12.147 ( 2.939 0.000 -4.995) 5.795 12.380 ( -2.429 0.000 1.133) 2.681 12.430 ( -2.553 0.000 2.560) 3.615 13.983 ( 1.005 0.000 -0.423) 1.090 14.030 ( 0.357 0.000 -0.814) 0.889 14.582 ( -1.073 0.000 1.287) 1.676 14.798 ( 0.074 0.000 -1.225) 1.227 16.775 ( 1.553 0.000 0.942) 1.816 16.901 ( -0.542 0.000 4.305) 4.339 17.077 ( -0.037 0.000 -1.087) 1.087 17.431 ( 1.484 0.000 -4.189) 4.444 17.464 ( 0.436 0.000 -0.138) 0.457 17.594 ( -0.371 0.000 -0.130) 0.393 17.604 ( 1.457 0.000 1.782) 2.302 17.820 ( 1.625 0.000 -1.222) 2.033 19.238 ( -3.351 0.000 0.985) 3.493 19.437 ( -0.912 0.000 -0.973) 1.333 19.502 ( 1.288 0.000 0.612) 1.426 19.672 ( 0.232 0.000 -1.704) 1.720 28.129 ( -0.283 0.000 0.060) 0.289 28.287 ( 2.648 0.000 -1.413) 3.002 28.709 ( -1.915 0.000 -0.628) 2.015 28.799 ( 1.216 0.000 -0.491) 1.311 29.575 ( -0.805 0.000 0.367) 0.885 29.746 ( -0.865 0.000 -2.461) 2.608 30.051 ( 0.090 0.000 1.600) 1.603 30.490 ( 0.885 0.000 -5.346) 5.419 32.130 ( -1.519 0.000 3.251) 3.588 32.706 ( -6.119 0.000 -3.580) 7.089 33.464 ( 0.539 0.000 13.171) 13.182 35.413 ( 8.317 0.000 -9.352) 12.515 35.471 ( -6.658 0.000 3.320) 7.440 35.711 ( 0.969 0.000 -1.050) 1.429 35.920 ( 0.281 0.000 -1.820) 1.842 35.978 ( 3.881 -0.000 -2.073) 4.400 ======================= Grid point 143 (61/132) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 12.553 0.000 18.015) 21.958 0.901 ( 0.558 0.000 22.065) 22.072 1.395 ( -7.433 0.000 31.039) 31.917 1.607 ( -5.637 0.000 -11.129) 12.476 1.858 ( -0.286 0.000 -6.589) 6.595 1.951 ( 2.056 0.000 13.355) 13.512 2.342 ( 2.273 0.000 -5.489) 5.941 2.405 ( -0.280 0.000 -0.055) 0.286 2.564 ( 1.791 0.000 -2.676) 3.220 2.618 ( 7.624 0.000 0.644) 7.652 2.883 ( 0.731 0.000 -4.833) 4.887 3.294 ( -1.873 0.000 -7.017) 7.263 3.428 ( -4.783 0.000 3.055) 5.675 3.565 ( 2.868 0.000 2.046) 3.523 3.710 ( -0.416 0.000 0.166) 0.448 3.768 ( -3.368 0.000 -2.276) 4.065 3.960 ( -2.860 0.000 3.591) 4.591 4.127 ( -0.247 0.000 4.723) 4.730 4.327 ( -1.770 0.000 3.817) 4.208 4.652 ( 9.028 0.000 -8.468) 12.378 5.167 ( -1.920 0.000 1.322) 2.331 5.275 ( 0.865 0.000 -2.135) 2.303 5.295 ( 5.495 0.000 1.607) 5.725 5.489 ( 0.177 0.000 -2.302) 2.309 5.611 ( -0.023 0.000 2.551) 2.551 5.788 ( 0.980 0.000 -2.630) 2.806 6.050 ( -1.662 0.000 1.389) 2.166 6.087 ( 1.624 0.000 -2.111) 2.664 6.330 ( 0.965 0.000 0.908) 1.325 6.558 ( -18.725 0.000 -0.951) 18.749 6.559 ( 1.475 0.000 0.331) 1.512 6.591 ( -5.028 0.000 -2.932) 5.820 6.731 ( -1.521 0.000 0.546) 1.616 7.005 ( 2.597 0.000 -6.242) 6.761 7.268 ( 2.480 0.000 6.918) 7.349 7.681 ( 2.635 0.000 -6.817) 7.308 11.883 ( -0.434 0.000 2.917) 2.949 12.108 ( -0.298 0.000 -4.034) 4.045 12.314 ( 1.149 0.000 0.699) 1.345 12.340 ( -0.545 0.000 0.091) 0.552 14.037 ( -0.016 0.000 0.361) 0.361 14.097 ( 0.265 0.000 -1.874) 1.892 14.311 ( -0.513 0.000 3.188) 3.229 14.458 ( 0.247 0.000 -1.641) 1.659 17.083 ( 0.917 0.000 3.489) 3.607 17.137 ( -0.615 0.000 -0.169) 0.638 17.188 ( -8.354 0.000 -0.606) 8.376 17.314 ( 1.311 0.000 -2.366) 2.705 17.364 ( 5.390 0.000 1.080) 5.497 17.466 ( -1.671 0.000 -2.052) 2.646 17.719 ( -0.183 0.000 1.196) 1.210 17.734 ( 0.951 0.000 0.684) 1.171 19.163 ( -2.444 0.000 1.160) 2.705 19.257 ( 0.208 0.000 -1.520) 1.535 19.678 ( 1.214 0.000 1.002) 1.574 19.721 ( -1.574 0.000 -0.239) 1.592 28.378 ( -0.932 0.000 1.031) 1.390 28.536 ( 9.356 0.000 -3.801) 10.098 28.713 ( 0.371 0.000 4.269) 4.285 28.984 ( -1.335 0.000 -4.055) 4.270 29.842 ( -1.757 0.000 5.377) 5.656 30.220 ( -0.588 0.000 -6.871) 6.896 30.907 ( -1.405 0.000 4.691) 4.897 31.162 ( 21.796 0.000 -4.219) 22.200 31.794 ( 4.810 0.000 1.149) 4.945 31.876 ( -0.783 0.000 -1.376) 1.583 31.963 ( 12.831 0.000 6.297) 14.293 32.161 ( -0.576 0.000 -0.654) 0.872 35.772 ( -45.731 0.000 0.699) 45.737 35.831 ( 8.242 0.000 -1.302) 8.344 36.257 ( -5.072 0.000 7.580) 9.121 36.801 ( 5.981 0.000 -9.156) 10.936 ======================= Grid point 144 (62/132) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 15.096 0.000 18.554) 23.919 1.110 ( 19.354 0.000 16.257) 25.276 1.362 ( -0.162 0.000 24.302) 24.302 1.597 ( 6.537 0.000 -13.611) 15.099 1.882 ( 4.088 0.000 -8.901) 9.795 1.961 ( -4.453 0.000 15.826) 16.441 2.295 ( -6.547 0.000 0.234) 6.551 2.416 ( 1.262 0.000 -3.698) 3.907 2.554 ( -2.365 0.000 -1.895) 3.030 2.695 ( 0.542 0.000 -0.445) 0.701 2.904 ( 2.936 0.000 -6.857) 7.459 3.202 ( -4.867 0.000 -10.949) 11.982 3.417 ( 1.679 0.000 9.826) 9.968 3.652 ( 5.423 0.000 1.447) 5.613 3.718 ( -2.209 0.000 0.062) 2.210 3.734 ( 2.272 0.000 -1.051) 2.503 3.946 ( 1.351 0.000 1.243) 1.835 4.135 ( 0.423 0.000 3.710) 3.734 4.290 ( -2.569 0.000 2.431) 3.537 4.721 ( -0.126 0.000 -6.229) 6.230 5.096 ( -4.898 0.000 2.313) 5.416 5.277 ( -0.411 0.000 -1.019) 1.099 5.345 ( -2.170 0.000 1.471) 2.621 5.458 ( -3.061 0.000 -0.543) 3.108 5.627 ( 1.479 0.000 -0.039) 1.479 5.760 ( -4.113 0.000 -0.540) 4.149 5.983 ( -7.406 0.000 5.369) 9.147 6.012 ( -2.163 0.000 1.435) 2.596 6.306 ( -2.778 0.000 -1.653) 3.233 6.320 ( 0.392 0.000 -1.316) 1.373 6.597 ( 1.025 0.000 4.253) 4.375 6.643 ( 4.002 0.000 -2.599) 4.772 6.740 ( 2.557 0.000 0.216) 2.566 7.027 ( 0.607 0.000 -5.381) 5.415 7.305 ( -0.185 0.000 7.489) 7.491 7.743 ( 5.167 0.000 -14.026) 14.948 11.826 ( -5.056 0.000 3.237) 6.004 12.065 ( -2.525 0.000 -4.553) 5.206 12.353 ( 1.453 0.000 0.177) 1.463 12.380 ( 4.531 0.000 0.598) 4.571 14.038 ( 0.036 0.000 0.414) 0.416 14.100 ( 0.400 0.000 -1.853) 1.896 14.306 ( -0.579 0.000 3.173) 3.226 14.458 ( 0.114 0.000 -1.618) 1.622 17.016 ( -6.920 0.000 4.801) 8.423 17.116 ( -1.089 0.000 -0.438) 1.173 17.117 ( 0.245 0.000 3.220) 3.230 17.335 ( 0.574 0.000 -1.807) 1.896 17.423 ( -1.672 0.000 -2.580) 3.075 17.424 ( 1.268 0.000 0.189) 1.282 17.717 ( -0.293 0.000 0.959) 1.003 17.759 ( 1.280 0.000 0.538) 1.389 19.146 ( 0.550 0.000 0.801) 0.972 19.345 ( 6.772 0.000 -1.582) 6.955 19.701 ( 0.740 0.000 1.673) 1.829 19.708 ( 0.686 0.000 -0.908) 1.138 28.338 ( -2.951 0.000 0.039) 2.951 28.621 ( 0.450 0.000 -7.817) 7.830 28.730 ( 0.397 0.000 4.622) 4.639 28.961 ( 0.009 0.000 -4.074) 4.074 29.835 ( -0.139 0.000 6.278) 6.279 30.218 ( 1.670 0.000 -6.512) 6.723 30.869 ( -2.925 0.000 2.476) 3.832 31.190 ( -11.884 0.000 -1.503) 11.978 31.830 ( 0.101 0.000 1.694) 1.697 31.864 ( -0.068 0.000 -1.842) 1.843 32.154 ( -0.004 0.000 -1.345) 1.345 32.194 ( -1.371 0.000 0.510) 1.463 35.387 ( 8.714 0.000 3.244) 9.299 36.005 ( 8.654 0.000 4.115) 9.583 36.159 ( -6.087 0.000 5.510) 8.210 36.885 ( 4.707 0.000 -8.289) 9.532 ======================= Grid point 145 (63/132) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 1.557 0.000 18.709) 18.773 1.439 ( 14.061 0.000 14.126) 19.931 1.563 ( 8.387 0.000 13.503) 15.896 1.767 ( 12.657 0.000 -13.086) 18.205 1.828 ( -4.006 0.000 8.962) 9.816 2.020 ( 8.581 0.000 -3.920) 9.434 2.136 ( -9.016 0.000 0.568) 9.034 2.393 ( -3.311 0.000 -2.264) 4.011 2.471 ( -5.890 0.000 -2.088) 6.249 2.652 ( -4.716 0.000 -4.238) 6.340 2.930 ( -1.337 0.000 -3.818) 4.045 3.141 ( 1.197 0.000 -5.888) 6.008 3.477 ( 1.875 0.000 10.329) 10.498 3.671 ( -0.788 0.000 1.414) 1.619 3.739 ( 2.926 0.000 -1.665) 3.366 3.793 ( 3.358 0.000 -0.470) 3.391 4.023 ( 6.307 0.000 1.182) 6.417 4.148 ( -0.160 0.000 2.639) 2.644 4.239 ( -3.196 0.000 1.617) 3.582 4.623 ( -9.199 0.000 3.600) 9.879 5.031 ( -1.283 0.000 0.194) 1.298 5.256 ( -1.519 0.000 0.484) 1.595 5.303 ( -0.685 0.000 1.151) 1.340 5.395 ( -2.873 0.000 -0.047) 2.874 5.651 ( 0.829 0.000 -1.642) 1.840 5.693 ( -2.092 0.000 0.242) 2.106 5.934 ( -0.808 0.000 2.866) 2.978 5.986 ( -0.600 0.000 1.058) 1.217 6.248 ( -2.407 0.000 -2.308) 3.335 6.365 ( 3.540 0.000 -5.459) 6.506 6.606 ( -0.643 0.000 5.027) 5.068 6.728 ( 5.145 0.000 -0.498) 5.169 6.806 ( 3.557 0.000 0.292) 3.569 7.017 ( -0.172 0.000 -5.382) 5.385 7.281 ( -3.685 0.000 7.527) 8.381 7.804 ( 3.671 0.000 -16.573) 16.975 11.739 ( -4.142 0.000 3.647) 5.519 12.018 ( -1.149 0.000 -5.840) 5.951 12.381 ( 1.233 0.000 1.081) 1.640 12.453 ( 2.579 0.000 -0.075) 2.580 14.040 ( 0.082 0.000 0.506) 0.512 14.104 ( 0.321 0.000 -1.783) 1.812 14.303 ( -0.370 0.000 3.160) 3.181 14.457 ( 0.029 0.000 -1.666) 1.666 16.945 ( -1.587 0.000 5.114) 5.354 17.103 ( -0.149 0.000 -0.437) 0.461 17.119 ( -0.851 0.000 4.027) 4.116 17.318 ( -1.291 0.000 -2.660) 2.957 17.413 ( 0.683 0.000 -1.842) 1.965 17.430 ( -0.428 0.000 -0.166) 0.459 17.715 ( -0.043 0.000 1.047) 1.047 17.777 ( 0.370 0.000 0.236) 0.439 19.181 ( 2.612 0.000 1.338) 2.935 19.440 ( 3.269 0.000 -2.816) 4.315 19.707 ( -0.487 0.000 2.266) 2.317 19.744 ( 2.770 0.000 -1.175) 3.008 28.286 ( -1.950 0.000 -0.597) 2.040 28.552 ( -5.158 0.000 -8.852) 10.245 28.739 ( -0.393 0.000 4.620) 4.637 28.969 ( 1.328 0.000 -3.855) 4.077 29.853 ( 0.601 0.000 7.509) 7.533 30.255 ( 3.057 0.000 -6.148) 6.866 30.821 ( -2.008 0.000 1.160) 2.319 30.864 ( -20.364 0.000 10.440) 22.884 31.827 ( -0.660 0.000 1.575) 1.707 31.868 ( 0.744 0.000 -1.762) 1.913 32.050 ( -8.978 0.000 7.798) 11.892 32.156 ( 0.510 0.000 -1.223) 1.325 35.793 ( 26.617 0.000 -14.584) 30.351 36.009 ( -7.669 0.000 4.496) 8.890 36.190 ( 6.478 0.000 6.301) 9.037 36.953 ( 4.065 0.000 -8.768) 9.665 ======================= Grid point 146 (64/132) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.148 0.000 5.915) 10.068 1.495 ( -4.690 0.000 20.070) 20.611 1.564 ( -5.869 0.000 10.800) 12.292 1.937 ( 2.873 0.000 14.579) 14.859 1.986 ( 9.976 0.000 -9.643) 13.875 2.061 ( 5.048 0.000 1.880) 5.387 2.184 ( 7.692 0.000 -2.713) 8.156 2.314 ( -3.365 0.000 -2.639) 4.276 2.336 ( -6.367 0.000 -5.388) 8.341 2.491 ( -10.878 0.000 -7.314) 13.108 2.831 ( -5.492 0.000 -3.044) 6.280 3.219 ( 6.239 0.000 -1.029) 6.324 3.510 ( -0.361 0.000 10.574) 10.580 3.742 ( 7.015 0.000 2.841) 7.568 3.747 ( -1.337 0.000 -6.633) 6.766 3.839 ( 1.175 0.000 -0.464) 1.264 4.129 ( -2.063 0.000 2.119) 2.958 4.153 ( 3.989 0.000 3.884) 5.568 4.183 ( -0.855 0.000 1.480) 1.709 4.442 ( -9.660 0.000 6.455) 11.618 5.031 ( 0.781 0.000 -1.192) 1.425 5.232 ( -0.972 0.000 0.648) 1.168 5.315 ( 0.981 0.000 -0.311) 1.029 5.371 ( 0.750 0.000 0.185) 0.772 5.645 ( -1.087 0.000 -2.220) 2.472 5.685 ( 1.234 0.000 -0.855) 1.501 5.930 ( -0.040 0.000 2.212) 2.213 5.993 ( 1.135 0.000 0.862) 1.425 6.220 ( -0.006 0.000 -1.902) 1.902 6.423 ( 3.616 0.000 -6.150) 7.134 6.597 ( -1.102 0.000 4.515) 4.648 6.827 ( 4.674 0.000 1.507) 4.911 6.859 ( 1.749 0.000 -0.677) 1.875 7.025 ( 2.678 0.000 -7.329) 7.803 7.207 ( -4.801 0.000 7.311) 8.747 7.814 ( 0.250 0.000 -15.199) 15.201 11.699 ( -0.499 0.000 3.717) 3.751 12.004 ( 0.851 0.000 -6.161) 6.219 12.399 ( 0.247 0.000 1.699) 1.717 12.469 ( -0.838 0.000 -0.594) 1.027 14.042 ( -0.045 0.000 0.554) 0.556 14.105 ( 0.073 0.000 -1.736) 1.738 14.304 ( -0.068 0.000 3.163) 3.164 14.454 ( 0.068 0.000 -1.739) 1.741 16.963 ( 2.266 0.000 4.659) 5.181 17.101 ( -1.616 0.000 4.179) 4.481 17.106 ( 0.368 0.000 -0.515) 0.633 17.301 ( 0.202 0.000 -2.838) 2.845 17.413 ( -1.175 0.000 -0.975) 1.527 17.427 ( 1.046 0.000 -1.331) 1.693 17.720 ( 0.334 0.000 1.338) 1.379 17.773 ( -0.753 0.000 -0.021) 0.753 19.234 ( 2.174 0.000 2.117) 3.035 19.469 ( 0.807 0.000 -4.822) 4.889 19.690 ( -1.639 0.000 2.227) 2.764 19.786 ( 1.452 0.000 -0.459) 1.522 28.273 ( 0.772 0.000 -0.273) 0.819 28.423 ( -6.237 0.000 -7.959) 10.112 28.733 ( -1.006 0.000 4.349) 4.464 28.991 ( 1.536 0.000 -3.571) 3.888 29.881 ( 0.789 0.000 8.486) 8.523 30.294 ( 1.786 0.000 -6.336) 6.583 30.535 ( -15.412 0.000 15.888) 22.135 30.810 ( 0.712 0.000 2.159) 2.273 31.810 ( -1.411 0.000 0.862) 1.654 31.882 ( 0.928 0.000 -1.347) 1.635 31.938 ( -4.394 0.000 7.019) 8.281 32.167 ( 0.656 0.000 -0.463) 0.803 35.863 ( -7.523 0.000 0.447) 7.536 36.214 ( 20.042 0.000 -16.466) 25.939 36.296 ( 3.098 0.000 8.409) 8.962 37.000 ( 2.274 0.000 -11.615) 11.836 ======================= Grid point 147 (65/132) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -19.131 0.000 6.196) 20.110 1.332 ( -17.577 0.000 12.414) 21.519 1.568 ( 3.174 0.000 24.157) 24.364 1.854 ( -11.295 0.000 18.483) 21.661 2.063 ( -3.807 0.000 -3.039) 4.871 2.128 ( -8.581 0.000 -5.118) 9.991 2.246 ( 9.344 0.000 1.806) 9.517 2.280 ( -3.561 0.000 -11.871) 12.393 2.293 ( 1.970 0.000 -3.622) 4.124 2.381 ( 7.837 0.000 -5.070) 9.334 2.809 ( 3.331 0.000 -5.595) 6.511 3.316 ( 2.764 0.000 1.918) 3.364 3.509 ( -1.184 0.000 9.918) 9.989 3.673 ( -4.457 0.000 -9.743) 10.714 3.806 ( -2.462 0.000 0.603) 2.535 3.898 ( 4.049 0.000 1.244) 4.235 4.104 ( -0.031 0.000 3.679) 3.679 4.106 ( -4.212 0.000 3.973) 5.790 4.276 ( 4.290 0.000 3.565) 5.578 4.318 ( -2.548 0.000 3.047) 3.972 5.053 ( 1.821 0.000 0.628) 1.927 5.228 ( 0.731 0.000 -0.589) 0.939 5.315 ( -1.113 0.000 0.252) 1.141 5.420 ( 3.733 0.000 -0.510) 3.768 5.614 ( -1.476 0.000 -0.335) 1.514 5.724 ( 2.593 0.000 -2.469) 3.581 5.952 ( 2.211 0.000 1.969) 2.961 6.026 ( 1.892 0.000 1.142) 2.210 6.236 ( 1.760 0.000 -1.338) 2.211 6.480 ( 3.411 0.000 -5.668) 6.615 6.580 ( -1.359 0.000 2.332) 2.699 6.852 ( -2.515 0.000 -0.598) 2.585 6.895 ( 2.629 0.000 -0.603) 2.697 7.083 ( 3.353 0.000 -8.729) 9.351 7.162 ( -0.547 0.000 6.795) 6.817 7.762 ( -2.975 0.000 -11.749) 12.120 11.735 ( 3.503 0.000 3.455) 4.920 12.029 ( 2.712 0.000 -5.425) 6.065 12.395 ( -0.963 0.000 1.757) 2.004 12.423 ( -3.600 0.000 -0.529) 3.639 14.040 ( -0.197 0.000 0.544) 0.578 14.101 ( -0.079 0.000 -1.765) 1.766 14.310 ( -0.008 0.000 3.176) 3.176 14.454 ( 0.197 0.000 -1.762) 1.773 17.031 ( 2.966 0.000 3.238) 4.391 17.092 ( 1.252 0.000 5.246) 5.393 17.115 ( 0.821 0.000 -0.672) 1.061 17.306 ( 0.490 0.000 -2.729) 2.773 17.383 ( -1.805 0.000 -1.717) 2.492 17.451 ( 1.655 0.000 -0.947) 1.907 17.727 ( 0.044 0.000 1.517) 1.517 17.752 ( -1.340 0.000 -0.027) 1.340 19.256 ( -0.619 0.000 2.677) 2.748 19.450 ( -2.081 0.000 -7.872) 8.143 19.663 ( -1.196 0.000 1.375) 1.822 19.791 ( -0.935 0.000 -0.000) 0.935 28.310 ( 2.746 0.000 0.647) 2.822 28.318 ( -2.664 0.000 -3.669) 4.534 28.719 ( -1.148 0.000 4.051) 4.211 29.010 ( 0.969 0.000 -3.502) 3.633 29.905 ( -0.378 0.000 7.501) 7.510 30.293 ( -0.622 0.000 -6.848) 6.876 30.380 ( -2.544 0.000 19.667) 19.831 30.850 ( 2.466 0.000 4.349) 4.999 31.777 ( -1.966 0.000 0.498) 2.029 31.894 ( 0.409 0.000 -0.947) 1.031 31.894 ( -1.766 0.000 6.074) 6.326 32.176 ( 0.214 0.000 0.405) 0.458 35.747 ( -3.795 0.000 -3.208) 4.969 36.337 ( -0.300 0.000 8.799) 8.805 36.500 ( 13.230 0.000 -13.750) 19.081 36.957 ( -5.879 0.000 -18.156) 19.084 ======================= Grid point 148 (66/132) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -12.730 0.000 13.172) 18.319 1.025 ( -15.460 0.000 18.070) 23.781 1.527 ( -11.670 0.000 33.519) 35.493 1.816 ( 4.289 0.000 11.845) 12.597 1.826 ( -14.195 0.000 -7.268) 15.948 1.969 ( -5.909 0.000 -6.731) 8.956 2.292 ( 3.452 0.000 -8.499) 9.173 2.374 ( 3.922 0.000 1.864) 4.342 2.434 ( 10.565 0.000 -2.219) 10.796 2.501 ( 5.271 0.000 -3.476) 6.314 2.865 ( 2.494 0.000 -4.685) 5.308 3.326 ( -1.250 0.000 1.129) 1.684 3.506 ( -1.484 0.000 6.827) 6.986 3.567 ( -3.933 0.000 -8.227) 9.119 3.745 ( -3.084 0.000 0.286) 3.097 3.864 ( -5.412 0.000 -1.549) 5.630 4.027 ( -4.623 0.000 4.570) 6.500 4.123 ( -0.131 0.000 5.832) 5.833 4.332 ( 0.834 0.000 4.184) 4.266 4.430 ( 12.796 0.000 -3.087) 13.163 5.113 ( 4.294 0.000 2.688) 5.066 5.253 ( 1.744 0.000 -2.075) 2.710 5.279 ( -2.440 0.000 1.385) 2.805 5.474 ( 1.790 0.000 -2.333) 2.940 5.604 ( 0.175 0.000 2.835) 2.840 5.762 ( 1.995 0.000 -2.952) 3.563 6.019 ( 4.202 0.000 0.454) 4.227 6.057 ( 0.721 0.000 1.373) 1.551 6.281 ( 3.023 0.000 0.343) 3.043 6.532 ( 3.058 0.000 -4.831) 5.717 6.558 ( -0.927 0.000 -0.351) 0.991 6.783 ( -3.835 0.000 0.449) 3.862 6.928 ( -0.700 0.000 -4.403) 4.459 7.027 ( -8.173 0.000 -11.833) 14.382 7.202 ( 2.785 0.000 6.383) 6.965 7.686 ( -2.228 0.000 -5.466) 5.903 11.827 ( 4.746 0.000 3.092) 5.664 12.081 ( 3.252 0.000 -4.487) 5.541 12.346 ( -3.829 0.000 0.064) 3.829 12.369 ( -1.970 0.000 1.086) 2.250 14.038 ( -0.127 0.000 0.468) 0.485 14.097 ( 0.032 0.000 -1.832) 1.832 14.313 ( -0.242 0.000 3.187) 3.196 14.455 ( 0.292 0.000 -1.710) 1.734 17.058 ( 0.775 0.000 2.607) 2.720 17.133 ( 0.903 0.000 -0.323) 0.959 17.202 ( 7.468 0.000 3.999) 8.471 17.306 ( 0.179 0.000 -2.820) 2.826 17.330 ( -3.625 0.000 -1.772) 4.036 17.477 ( 0.847 0.000 -1.198) 1.467 17.725 ( -0.550 0.000 1.412) 1.515 17.730 ( -0.674 0.000 0.357) 0.762 19.220 ( -3.240 0.000 2.253) 3.946 19.350 ( -6.487 0.000 -7.866) 10.196 19.658 ( 0.499 0.000 0.749) 0.900 19.758 ( -2.142 0.000 0.027) 2.142 28.353 ( 7.168 0.000 0.754) 7.208 28.363 ( 2.113 0.000 1.318) 2.490 28.708 ( -0.637 0.000 3.965) 4.016 29.010 ( -0.373 0.000 -3.747) 3.766 29.880 ( -2.885 0.000 5.405) 6.127 30.256 ( -1.592 0.000 -7.013) 7.191 30.593 ( 22.790 0.000 19.605) 30.062 30.899 ( 1.255 0.000 5.545) 5.685 31.747 ( -0.857 0.000 1.289) 1.548 31.885 ( -0.237 0.000 5.965) 5.970 31.892 ( -0.466 0.000 -0.895) 1.009 32.173 ( -0.526 0.000 0.357) 0.636 35.727 ( 2.719 0.000 -4.291) 5.080 36.320 ( -2.979 0.000 8.468) 8.976 36.605 ( -30.012 0.000 -21.896) 37.151 36.683 ( 8.244 0.000 -11.212) 13.917 ======================= Grid point 149 (67/132) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 6.640 14.046 14.437) 21.209 1.084 ( -0.964 10.878 21.068) 23.730 1.565 ( -2.590 17.138 17.323) 24.505 1.647 ( -4.131 4.923 -4.237) 7.698 1.949 ( 2.439 4.678 12.668) 13.723 2.036 ( -1.463 11.509 -5.028) 12.644 2.363 ( 3.225 2.438 -6.251) 7.445 2.421 ( -1.475 1.424 0.526) 2.117 2.559 ( 7.894 -1.486 0.177) 8.034 2.606 ( 0.061 0.595 -1.561) 1.671 2.841 ( 1.790 -4.109 -4.378) 6.266 3.288 ( -1.379 -1.100 -7.582) 7.784 3.407 ( -4.434 -2.349 4.669) 6.854 3.579 ( 2.015 1.736 1.754) 3.186 3.745 ( -2.983 -1.294 -3.589) 4.843 3.781 ( -0.153 5.566 -1.432) 5.749 4.000 ( -4.225 3.829 5.337) 7.810 4.117 ( -0.311 -0.514 4.226) 4.269 4.344 ( 0.226 0.621 3.197) 3.265 4.442 ( 5.753 -11.543 1.774) 13.018 5.096 ( -0.738 -5.255 0.005) 5.307 5.261 ( -1.644 0.899 1.722) 2.545 5.294 ( -0.351 -5.263 -4.479) 6.920 5.387 ( 0.134 -0.569 -0.052) 0.587 5.697 ( 1.325 3.037 0.006) 3.313 5.758 ( 1.292 -2.752 0.367) 3.063 6.099 ( -1.407 7.159 2.840) 7.829 6.176 ( 3.553 -1.483 -3.734) 5.364 6.392 ( -2.792 -3.858 1.406) 4.966 6.491 ( 2.396 -1.780 -1.625) 3.398 6.515 ( 2.396 -5.566 0.628) 6.092 6.597 ( -9.916 6.022 -5.540) 12.856 6.907 ( -6.238 11.054 -7.755) 14.874 7.034 ( 1.539 3.597 -6.068) 7.220 7.292 ( 2.121 3.020 4.632) 5.922 7.655 ( 2.845 -2.377 -6.534) 7.513 11.873 ( -0.488 -1.012 2.782) 3.001 12.096 ( 0.473 -0.826 -4.185) 4.292 12.331 ( 0.196 1.365 0.953) 1.676 12.355 ( 0.007 1.341 0.322) 1.379 14.031 ( -0.051 -0.486 0.520) 0.714 14.107 ( 0.506 0.296 -2.380) 2.451 14.357 ( -1.008 4.244 1.799) 4.719 14.474 ( 0.236 1.849 -1.556) 2.428 17.022 ( 1.475 -6.508 3.192) 7.397 17.099 ( -5.005 -4.136 4.006) 7.629 17.122 ( -0.736 -1.563 -0.884) 1.941 17.317 ( 1.381 0.252 -2.847) 3.175 17.362 ( 2.867 1.165 1.979) 3.673 17.520 ( -1.098 2.421 -3.180) 4.144 17.727 ( -0.052 0.674 1.206) 1.383 17.752 ( -0.050 1.221 0.724) 1.421 19.168 ( -1.961 0.511 1.303) 2.409 19.272 ( 0.243 1.381 -1.554) 2.093 19.687 ( -2.319 -1.710 -0.186) 2.887 19.728 ( 1.658 2.043 -2.380) 3.548 28.363 ( -0.282 -1.632 0.948) 1.909 28.475 ( 6.737 -5.159 -1.285) 8.582 28.711 ( 0.979 -0.203 3.510) 3.649 28.958 ( -1.533 -2.420 -3.857) 4.805 29.793 ( -1.064 -4.401 4.605) 6.458 30.114 ( -0.236 -11.032 -4.804) 12.035 30.512 ( 6.352 -24.402 13.143) 28.435 30.841 ( 1.752 -10.509 0.155) 10.655 31.798 ( 0.549 3.924 2.091) 4.480 31.925 ( 0.089 7.685 -1.792) 7.892 32.235 ( -1.501 24.962 11.696) 27.607 33.250 ( 23.965 61.279 -31.407) 72.910 35.733 ( -35.908 -3.289 1.667) 36.097 35.820 ( 3.261 -1.311 -1.510) 3.826 36.219 ( -4.879 -3.845 7.000) 9.359 36.732 ( 5.624 -6.679 -8.685) 12.315 ======================= Grid point 150 (68/132) ======================= q-point: ( 0.17 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 12.049 3.828 14.997) 19.614 1.200 ( 6.431 4.796 20.531) 22.043 1.633 ( 3.599 6.174 -5.710) 9.148 1.659 ( 9.733 22.052 9.378) 25.865 1.988 ( -1.232 4.524 12.319) 13.181 2.021 ( 0.165 10.805 -4.670) 11.773 2.329 ( -5.691 2.857 -0.279) 6.374 2.423 ( 1.354 0.835 -3.156) 3.534 2.562 ( -2.936 0.737 -2.765) 4.100 2.673 ( 3.377 -0.984 -0.489) 3.552 2.885 ( 3.453 -1.623 -5.300) 6.530 3.204 ( -4.311 0.438 -10.425) 11.289 3.406 ( 2.044 -2.255 10.223) 10.667 3.634 ( 1.940 -1.513 2.129) 3.254 3.711 ( 0.319 -0.239 -3.309) 3.333 3.807 ( 3.102 5.759 -1.323) 6.674 3.952 ( -1.027 1.392 3.484) 3.890 4.137 ( 1.572 0.830 3.859) 4.249 4.325 ( -2.359 2.693 2.161) 4.182 4.515 ( 0.857 -12.761 3.544) 13.272 5.050 ( -3.233 -4.203 -0.351) 5.315 5.229 ( -1.889 -0.778 1.362) 2.455 5.297 ( 1.342 -3.222 -3.492) 4.937 5.375 ( -1.303 -2.618 -0.044) 2.924 5.701 ( -0.858 0.671 -1.397) 1.772 5.746 ( -2.672 -1.654 1.724) 3.584 6.067 ( -1.766 6.885 2.118) 7.416 6.210 ( 0.195 -4.257 -3.956) 5.815 6.257 ( -9.212 3.526 0.862) 9.901 6.453 ( -2.955 13.106 -5.397) 14.478 6.521 ( 1.637 -6.155 2.535) 6.855 6.611 ( 5.631 -0.806 -0.705) 5.732 6.825 ( -1.439 7.276 -1.524) 7.572 7.039 ( -0.073 1.351 -4.805) 4.992 7.317 ( -0.531 1.507 6.074) 6.280 7.703 ( 3.492 -3.644 -12.344) 13.335 11.819 ( -4.701 -0.733 2.946) 5.596 12.068 ( -2.120 0.275 -4.702) 5.165 12.353 ( 1.824 0.421 0.455) 1.926 12.400 ( 3.596 1.379 0.764) 3.926 14.031 ( -0.062 -0.610 0.524) 0.806 14.113 ( 0.461 0.460 -2.478) 2.562 14.342 ( -0.733 3.775 2.397) 4.531 14.476 ( 0.198 1.875 -1.454) 2.381 16.982 ( -5.414 -3.220 4.784) 7.910 17.063 ( 0.875 -3.864 3.924) 5.576 17.108 ( -0.704 -0.863 -1.032) 1.518 17.334 ( 0.413 -0.020 -2.332) 2.369 17.403 ( 0.947 0.083 0.919) 1.323 17.470 ( -2.601 2.001 -2.605) 4.190 17.732 ( 0.058 1.295 0.826) 1.537 17.763 ( 0.938 0.193 1.041) 1.414 19.156 ( 0.769 1.022 0.948) 1.592 19.349 ( 6.395 0.508 -1.251) 6.536 19.653 ( -1.015 -2.871 -0.212) 3.052 19.745 ( 0.510 1.337 -1.038) 1.768 28.328 ( -2.833 -0.965 -0.126) 2.996 28.546 ( 0.752 -6.640 -3.935) 7.755 28.738 ( 0.707 0.375 2.647) 2.765 28.930 ( -0.325 -2.841 -3.498) 4.518 29.795 ( 0.256 -3.619 5.306) 6.428 30.109 ( 0.851 -10.707 -4.795) 11.762 30.578 ( -1.375 -23.820 10.260) 25.972 30.846 ( -1.783 -12.267 -0.959) 12.433 31.818 ( 0.870 2.833 1.993) 3.571 31.952 ( 2.911 8.444 -2.332) 9.232 32.219 ( -2.027 23.784 10.561) 26.103 33.317 ( -14.933 59.136 -27.089) 66.737 35.388 ( 7.934 0.119 3.323) 8.603 35.976 ( 8.011 -2.899 3.818) 9.336 36.126 ( -5.689 -3.321 5.067) 8.311 36.809 ( 4.165 -7.392 -7.740) 11.485 ======================= Grid point 151 (69/132) ======================= q-point: ( 0.33 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.398 0.369 17.520) 17.850 1.403 ( 11.029 -2.134 11.600) 16.148 1.724 ( 4.584 1.505 -4.063) 6.307 1.855 ( -1.482 19.944 12.964) 23.833 1.908 ( 2.558 5.642 2.647) 6.737 2.093 ( 5.636 5.462 -5.634) 9.662 2.230 ( -2.032 7.938 0.404) 8.204 2.396 ( -3.545 -0.023 -0.364) 3.564 2.502 ( -2.725 4.652 -6.674) 8.580 2.685 ( -2.245 3.390 -2.646) 4.851 2.917 ( -1.195 -0.562 -1.510) 2.006 3.152 ( 1.326 1.305 -5.709) 6.005 3.471 ( 2.037 -1.567 11.114) 11.408 3.628 ( -0.384 -3.470 1.891) 3.970 3.751 ( 2.993 0.977 -4.297) 5.327 3.878 ( 3.406 6.827 -0.384) 7.639 3.986 ( 4.016 -2.015 1.990) 4.914 4.173 ( 0.821 1.296 4.615) 4.863 4.268 ( -3.601 2.660 0.982) 4.583 4.491 ( -3.801 -7.563 5.130) 9.898 5.005 ( -1.142 -2.629 -1.992) 3.490 5.209 ( 0.062 -1.802 0.407) 1.849 5.305 ( -1.330 -7.709 -2.251) 8.140 5.354 ( 0.365 4.569 0.083) 4.584 5.655 ( -3.136 -2.933 0.588) 4.334 5.699 ( -2.039 0.920 -0.194) 2.245 6.049 ( -0.586 7.524 1.819) 7.763 6.135 ( -3.585 5.934 -0.882) 6.989 6.195 ( -0.156 -4.072 -2.746) 4.914 6.424 ( 0.021 8.493 -4.655) 9.685 6.543 ( 0.168 -4.600 4.034) 6.120 6.715 ( 5.209 -1.125 -0.426) 5.346 6.834 ( 2.077 2.465 -0.190) 3.229 7.021 ( -0.541 0.849 -4.837) 4.940 7.289 ( -3.547 1.063 6.351) 7.351 7.734 ( 2.098 -6.343 -13.871) 15.396 11.737 ( -3.916 -0.239 3.432) 5.212 12.022 ( -1.291 0.369 -5.815) 5.968 12.388 ( 1.520 0.729 1.115) 2.021 12.461 ( 2.184 0.651 0.174) 2.286 14.031 ( -0.045 -0.843 0.582) 1.025 14.115 ( 0.196 0.359 -2.346) 2.381 14.340 ( -0.045 3.965 2.637) 4.762 14.476 ( 0.114 2.002 -1.446) 2.472 16.918 ( -2.148 -2.314 5.293) 6.164 17.079 ( -0.218 -3.358 4.259) 5.428 17.102 ( 0.453 -0.380 -1.385) 1.506 17.317 ( -1.252 -0.105 -2.772) 3.043 17.413 ( 0.342 -0.041 -0.268) 0.436 17.432 ( -1.180 0.568 -1.295) 1.842 17.732 ( -0.133 1.503 1.113) 1.875 17.782 ( 0.704 0.211 0.524) 0.902 19.194 ( 2.627 1.320 1.469) 3.287 19.449 ( 3.689 0.816 -2.716) 4.653 19.655 ( 0.932 -4.150 0.753) 4.319 19.746 ( -0.189 -0.660 -0.334) 0.763 28.278 ( -1.897 -0.831 -0.695) 2.185 28.498 ( -4.292 -5.011 -6.015) 8.928 28.743 ( -0.546 0.209 2.954) 3.011 28.936 ( 1.363 -3.022 -3.037) 4.496 29.815 ( 0.556 -3.413 6.246) 7.139 30.127 ( 1.402 -11.832 -3.082) 12.307 30.524 ( -5.648 -17.242 10.055) 20.743 30.783 ( -3.467 -7.281 -1.845) 8.273 31.834 ( 0.334 3.345 2.184) 4.009 32.010 ( 3.240 11.204 -3.335) 12.131 32.202 ( -1.578 22.318 9.891) 24.462 32.882 ( -20.450 48.166 -6.787) 52.766 35.765 ( 24.779 -2.712 -13.005) 28.116 35.980 ( -7.170 -2.788 4.251) 8.789 36.152 ( 6.054 -3.725 5.745) 9.139 36.865 ( 3.143 -8.553 -7.936) 12.083 ======================= Grid point 152 (70/132) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -6.743 0.099 7.629) 10.183 1.491 ( -1.934 2.178 16.029) 16.291 1.723 ( -5.989 -2.843 7.717) 10.174 1.860 ( 3.146 13.458 12.290) 18.495 1.979 ( 5.393 0.184 -7.433) 9.185 2.160 ( 0.709 -2.089 -3.803) 4.396 2.280 ( 1.581 9.327 3.113) 9.959 2.341 ( -0.623 6.012 -0.695) 6.084 2.450 ( 0.300 9.360 -9.318) 13.211 2.572 ( -8.429 8.245 -3.681) 12.352 2.826 ( -5.707 0.446 -1.028) 5.816 3.223 ( 5.452 0.589 -1.155) 5.604 3.508 ( -0.261 -1.028 11.658) 11.706 3.680 ( 3.770 -3.457 -0.245) 5.121 3.786 ( 2.593 1.245 -5.092) 5.848 3.911 ( 0.136 6.545 -0.173) 6.549 4.069 ( 2.557 -2.710 2.857) 4.696 4.154 ( -4.009 -1.287 4.371) 6.069 4.239 ( 1.718 4.030 1.643) 4.679 4.405 ( -5.837 -1.270 4.293) 7.356 4.993 ( 0.179 -2.889 -2.000) 3.518 5.234 ( 2.304 -3.358 -1.961) 4.520 5.268 ( -0.964 -6.017 0.214) 6.097 5.378 ( 1.445 6.358 -0.005) 6.520 5.618 ( -0.984 -4.660 0.819) 4.833 5.663 ( -1.281 1.274 -1.285) 2.217 6.044 ( -0.417 8.421 1.566) 8.576 6.095 ( -0.183 1.335 -3.221) 3.492 6.225 ( 3.263 -0.853 0.340) 3.389 6.422 ( 0.508 4.638 -4.572) 6.533 6.553 ( 0.192 -2.630 3.794) 4.621 6.801 ( 3.531 -3.620 0.703) 5.105 6.886 ( 3.464 1.887 -1.415) 4.191 7.013 ( 0.959 0.519 -6.779) 6.866 7.217 ( -4.634 1.251 6.287) 7.910 7.731 ( -0.023 -7.426 -12.309) 14.375 11.700 ( -0.467 0.001 3.625) 3.655 12.005 ( 0.638 0.036 -6.144) 6.178 12.409 ( 0.331 1.017 1.724) 2.029 12.474 ( -0.837 0.427 -0.385) 1.016 14.031 ( -0.062 -0.983 0.632) 1.171 14.112 ( -0.025 0.147 -2.173) 2.178 14.348 ( 0.409 4.503 2.537) 5.185 14.475 ( 0.061 2.101 -1.525) 2.597 16.914 ( 0.595 -3.848 5.061) 6.385 17.073 ( -0.978 -2.355 4.167) 4.885 17.116 ( 1.112 0.194 -1.226) 1.666 17.299 ( 0.067 -0.291 -3.075) 3.089 17.397 ( -1.683 -0.792 -0.334) 1.890 17.432 ( 1.119 0.495 -1.304) 1.788 17.733 ( -0.061 1.131 1.379) 1.784 17.788 ( -0.099 0.852 0.199) 0.881 19.243 ( 1.608 0.964 2.231) 2.915 19.483 ( 0.894 1.171 -4.935) 5.150 19.662 ( -0.746 -2.626 1.963) 3.363 19.750 ( 0.783 -3.355 -0.329) 3.461 28.265 ( 0.790 -0.775 -0.339) 1.157 28.388 ( -5.446 -3.212 -6.041) 8.745 28.733 ( -1.060 -0.091 3.313) 3.479 28.961 ( 1.662 -2.797 -2.961) 4.399 29.834 ( 0.184 -4.023 6.933) 8.018 30.133 ( -0.816 -12.900 0.251) 12.928 30.423 ( -5.916 -8.325 8.147) 13.065 30.742 ( -0.264 -5.818 -1.343) 5.977 31.836 ( -0.560 4.151 2.400) 4.827 32.047 ( 0.794 13.635 -4.192) 14.287 32.189 ( -1.623 22.688 10.251) 24.949 32.622 ( -5.705 38.501 -2.411) 38.996 35.843 ( -7.096 -1.953 0.386) 7.370 36.162 ( 19.070 -5.004 -14.866) 24.692 36.253 ( 3.011 -4.294 7.777) 9.380 36.891 ( 0.802 -10.392 -9.986) 14.434 ======================= Grid point 153 (71/132) ======================= q-point: (-0.33 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -14.943 5.830 7.012) 17.506 1.421 ( -12.339 6.186 16.852) 21.783 1.662 ( 2.513 2.456 12.414) 12.902 1.873 ( -7.895 8.734 17.069) 20.736 1.999 ( -5.814 -1.755 -4.495) 7.556 2.175 ( 5.706 -0.899 -4.837) 7.534 2.289 ( 0.140 1.467 -3.769) 4.047 2.328 ( 0.673 7.175 0.707) 7.241 2.383 ( -8.030 10.770 -3.596) 13.907 2.503 ( 4.707 9.810 -7.087) 12.985 2.792 ( 2.049 -0.946 -3.939) 4.540 3.303 ( 2.095 -1.305 1.631) 2.959 3.512 ( -1.192 -0.450 10.592) 10.669 3.661 ( -3.632 -0.692 -8.472) 9.244 3.865 ( -0.109 3.616 -0.758) 3.696 3.894 ( 1.082 1.320 0.358) 1.744 4.067 ( -1.961 -2.664 3.816) 5.050 4.108 ( -0.222 -0.030 4.346) 4.352 4.283 ( -2.488 2.123 1.836) 3.751 4.321 ( 0.534 0.724 4.022) 4.121 5.014 ( 2.509 -2.609 -0.504) 3.654 5.270 ( 1.106 -0.036 -0.665) 1.291 5.279 ( 2.260 -10.247 -2.798) 10.860 5.397 ( 0.141 8.709 -1.471) 8.833 5.604 ( 0.033 -3.079 2.977) 4.283 5.673 ( 2.163 -1.443 -1.067) 2.810 6.045 ( 0.684 6.853 0.910) 6.947 6.111 ( 1.801 1.713 -2.099) 3.253 6.302 ( 4.560 0.632 0.434) 4.625 6.422 ( 0.160 1.658 -4.530) 4.827 6.556 ( -0.600 -1.679 2.585) 3.140 6.826 ( -1.336 -3.279 -0.177) 3.545 6.958 ( 3.772 3.981 -2.313) 5.952 7.031 ( 2.256 -2.227 -10.069) 10.556 7.173 ( -0.240 1.449 6.185) 6.357 7.691 ( -1.955 -6.211 -8.905) 11.032 11.735 ( 3.340 -0.096 3.430) 4.789 12.024 ( 2.409 -0.384 -5.501) 6.018 12.404 ( -1.389 0.828 1.432) 2.160 12.434 ( -2.944 0.913 0.018) 3.082 14.031 ( -0.062 -0.855 0.624) 1.061 14.107 ( -0.061 0.058 -2.090) 2.092 14.361 ( 0.399 4.954 2.159) 5.418 14.474 ( 0.079 2.041 -1.596) 2.592 16.947 ( 1.694 -6.055 4.258) 7.594 17.068 ( 0.114 -1.548 4.254) 4.529 17.139 ( 1.501 0.095 -0.576) 1.611 17.301 ( 0.389 -0.780 -3.246) 3.361 17.361 ( -1.922 -0.373 -0.404) 1.999 17.462 ( 2.297 0.785 -1.086) 2.659 17.733 ( -0.221 0.743 1.462) 1.655 17.780 ( -0.702 1.542 0.122) 1.699 19.251 ( -1.218 -0.128 2.323) 2.626 19.456 ( -3.246 0.548 -5.237) 6.186 19.659 ( 0.980 -0.796 -0.702) 1.445 19.757 ( -0.437 -3.052 0.167) 3.088 28.298 ( -1.796 -1.754 -2.522) 3.558 28.304 ( 2.371 -0.782 0.170) 2.503 28.716 ( -1.222 -0.296 3.332) 3.562 28.983 ( 1.068 -2.543 -3.144) 4.182 29.841 ( -0.948 -5.284 6.345) 8.311 30.108 ( -1.282 -12.538 3.888) 13.189 30.351 ( -2.706 -4.304 5.841) 7.743 30.761 ( 1.958 -7.068 0.403) 7.346 31.821 ( -1.360 4.655 2.218) 5.333 32.013 ( -3.066 12.134 -2.845) 12.834 32.196 ( 0.529 23.906 10.165) 25.982 32.634 ( 6.615 39.935 -4.121) 40.689 35.734 ( -3.584 -1.311 -3.051) 4.886 36.292 ( -0.253 -4.450 8.321) 9.439 36.438 ( 12.724 -6.066 -12.669) 18.952 36.823 ( -7.296 -12.444 -14.521) 20.467 ======================= Grid point 154 (72/132) ======================= q-point: (-0.17 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -7.419 14.064 11.623) 19.696 1.192 ( -12.519 10.434 18.011) 24.289 1.671 ( -10.503 14.142 20.914) 27.344 1.756 ( -3.341 -1.082 5.605) 6.615 1.874 ( -1.013 4.097 4.613) 6.252 2.141 ( -7.879 12.536 -6.676) 16.242 2.304 ( 4.414 1.180 -8.888) 9.994 2.386 ( 8.411 -0.654 -0.044) 8.437 2.404 ( 3.095 2.424 1.709) 4.287 2.577 ( 3.441 5.214 -4.122) 7.484 2.824 ( 1.385 -3.662 -3.717) 5.398 3.311 ( -0.865 -2.068 0.607) 2.322 3.493 ( -3.291 -1.657 4.666) 5.945 3.578 ( -2.315 1.740 -4.761) 5.573 3.808 ( -2.980 5.006 -1.052) 5.920 3.844 ( -5.473 -1.112 -2.475) 6.108 4.061 ( -2.191 2.552 4.839) 5.894 4.128 ( -0.844 0.594 5.956) 6.044 4.270 ( 4.752 -5.888 2.062) 7.842 4.365 ( 1.838 -0.361 2.799) 3.367 5.072 ( 2.855 -3.116 0.281) 4.235 5.278 ( -0.187 0.077 -0.141) 0.246 5.310 ( 0.627 -10.876 -4.106) 11.642 5.380 ( -0.363 8.142 -0.993) 8.210 5.650 ( 3.234 2.063 2.648) 4.661 5.717 ( 2.466 -3.848 -0.475) 4.595 6.079 ( 2.362 6.393 2.293) 7.191 6.137 ( 1.180 1.209 -2.372) 2.912 6.392 ( 4.000 5.576 0.740) 6.903 6.417 ( 1.019 -6.893 -3.887) 7.979 6.537 ( -1.746 -2.372 0.739) 3.036 6.754 ( -5.786 -2.646 -1.499) 6.537 7.003 ( 1.609 3.505 -5.408) 6.643 7.030 ( -1.457 3.101 -12.259) 12.729 7.225 ( 3.702 2.944 4.008) 6.200 7.644 ( -1.027 -3.790 -4.241) 5.780 11.822 ( 4.423 -0.536 3.064) 5.407 12.068 ( 2.798 -0.948 -4.570) 5.442 12.356 ( -2.895 0.885 0.193) 3.034 12.386 ( -2.352 1.442 1.252) 3.030 14.031 ( -0.041 -0.583 0.573) 0.819 14.104 ( 0.196 0.111 -2.165) 2.176 14.367 ( -0.256 4.900 1.674) 5.184 14.473 ( 0.171 1.905 -1.616) 2.504 16.985 ( 1.617 -6.660 3.228) 7.575 17.097 ( 1.712 -2.056 3.174) 4.151 17.160 ( -0.131 -3.421 1.022) 3.572 17.301 ( 0.618 -0.297 -3.102) 3.177 17.331 ( -0.630 1.741 0.368) 1.887 17.508 ( 2.311 1.538 -1.726) 3.269 17.730 ( -0.302 0.686 1.436) 1.620 17.763 ( -1.024 1.782 0.122) 2.059 19.212 ( -2.793 -0.351 1.785) 3.333 19.350 ( -6.115 0.331 -4.089) 7.363 19.693 ( 2.414 1.500 -2.923) 4.077 19.732 ( -2.071 -2.036 0.050) 2.904 28.315 ( 3.980 -2.860 0.943) 4.991 28.367 ( 3.595 -0.384 0.966) 3.742 28.703 ( -0.657 -0.490 3.432) 3.528 28.985 ( -0.360 -2.381 -3.553) 4.292 29.818 ( -2.178 -5.371 4.802) 7.526 30.115 ( 0.879 -13.272 0.116) 13.302 30.366 ( 3.793 -9.668 11.365) 15.395 30.803 ( 2.026 -8.289 1.137) 8.609 31.800 ( -1.041 4.805 2.037) 5.321 31.952 ( -2.420 8.993 -1.794) 9.484 32.227 ( 0.195 24.910 11.414) 27.401 32.849 ( 18.090 51.535 -12.742) 56.084 35.715 ( 2.500 -1.252 -4.041) 4.914 36.275 ( -3.162 -4.457 7.933) 9.632 36.474 ( -26.580 -11.702 -15.368) 32.857 36.622 ( 7.308 -5.977 -10.982) 14.482 ======================= Grid point 155 (73/132) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.282 14.411 8.838) 17.059 1.255 ( 1.133 11.235 17.525) 20.848 1.695 ( -0.300 3.389 -4.825) 5.904 1.949 ( 2.045 9.929 8.233) 13.059 2.167 ( 1.190 17.346 11.948) 21.096 2.223 ( 1.284 6.717 -5.376) 8.698 2.390 ( 2.496 -1.873 -1.359) 3.404 2.494 ( -3.203 3.196 1.476) 4.759 2.508 ( 2.472 1.087 3.388) 4.333 2.715 ( 1.900 0.872 -4.245) 4.732 2.751 ( 2.805 5.738 -5.534) 8.451 3.235 ( 0.753 -4.121 -0.377) 4.206 3.364 ( -5.599 0.102 -2.418) 6.099 3.630 ( 0.822 2.817 1.771) 3.427 3.733 ( -3.158 0.221 -4.473) 5.480 3.881 ( -1.298 3.428 -1.251) 3.873 4.091 ( -4.526 4.285 3.986) 7.398 4.124 ( 1.325 1.630 4.116) 4.620 4.303 ( 3.974 0.888 2.413) 4.733 4.408 ( 0.872 2.260 1.081) 2.652 5.016 ( -0.787 -4.908 -3.386) 6.015 5.027 ( 0.207 -12.426 -4.173) 13.110 5.359 ( -0.962 5.479 4.166) 6.950 5.474 ( -2.836 4.568 1.400) 5.556 5.706 ( 2.390 -1.637 0.480) 2.937 5.733 ( -0.192 1.204 0.501) 1.319 6.082 ( 2.190 -6.851 -2.379) 7.576 6.165 ( -2.644 -3.394 -3.871) 5.788 6.279 ( 0.553 -4.713 4.298) 6.402 6.367 ( -3.530 -6.254 1.381) 7.313 6.478 ( 3.380 0.116 0.377) 3.403 6.693 ( -1.408 2.465 -2.848) 4.022 7.039 ( -1.032 4.244 -5.521) 7.040 7.115 ( -0.552 2.547 -4.180) 4.926 7.382 ( 0.728 4.240 -1.990) 4.740 7.601 ( 2.927 -2.838 -5.912) 7.181 11.847 ( -0.709 -1.497 2.737) 3.199 12.085 ( 1.434 -0.263 -4.869) 5.082 12.358 ( -0.124 1.245 1.582) 2.017 12.384 ( -0.215 1.432 0.856) 1.682 14.020 ( -0.040 -0.679 0.506) 0.848 14.096 ( 0.501 -1.350 -1.934) 2.411 14.450 ( -0.995 4.493 0.807) 4.672 14.539 ( 0.069 4.690 -2.033) 5.112 16.905 ( 1.378 -4.169 4.193) 6.072 17.034 ( -3.115 -2.756 3.981) 5.757 17.094 ( -0.013 -1.327 -0.967) 1.642 17.325 ( 1.558 0.518 -3.929) 4.258 17.398 ( 1.331 2.163 1.731) 3.074 17.549 ( -0.840 0.871 -2.534) 2.808 17.732 ( -0.132 -0.526 1.809) 1.889 17.772 ( -0.150 0.947 0.471) 1.068 19.183 ( -1.229 0.996 1.568) 2.227 19.306 ( 0.149 1.983 -1.851) 2.717 19.635 ( -1.909 -3.022 0.487) 3.608 19.746 ( 1.253 -0.676 -4.454) 4.676 28.303 ( 2.226 -4.327 1.498) 5.091 28.381 ( 0.740 -3.621 -0.497) 3.730 28.706 ( 1.559 -0.274 2.441) 2.909 28.899 ( -1.604 -3.332 -3.377) 5.008 29.700 ( -0.081 -4.350 2.786) 5.166 29.879 ( -0.237 -9.674 0.112) 9.678 30.246 ( 0.701 -7.156 6.774) 9.878 30.658 ( 1.059 -8.162 -4.694) 9.475 31.911 ( -0.268 6.868 3.278) 7.615 32.126 ( 0.153 11.512 -3.263) 11.966 32.791 ( -2.094 28.989 17.638) 33.998 34.212 ( 22.624 36.448 -33.098) 54.182 35.664 ( -24.496 -3.395 2.267) 24.834 35.780 ( 1.068 -2.573 -1.461) 3.146 36.111 ( -4.042 -6.715 5.816) 9.760 36.553 ( 4.728 -10.873 -7.751) 14.165 ======================= Grid point 156 (74/132) ======================= q-point: ( 0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 2.650 7.638 11.571) 14.116 1.347 ( 3.776 10.786 14.786) 18.688 1.716 ( 3.225 4.085 -5.590) 7.638 2.009 ( 1.703 7.277 6.735) 10.060 2.167 ( 0.235 7.150 -4.309) 8.351 2.307 ( 2.318 22.685 9.992) 24.897 2.360 ( -3.340 -0.534 -0.104) 3.384 2.439 ( -2.340 -0.166 0.853) 2.496 2.557 ( 4.152 -1.548 -2.221) 4.957 2.770 ( 3.193 11.553 -5.678) 13.263 2.848 ( 6.769 -2.266 -2.302) 7.500 3.236 ( -1.821 3.432 -8.339) 9.200 3.306 ( 1.589 -5.961 9.136) 11.023 3.619 ( -3.161 -0.191 2.896) 4.291 3.712 ( 2.415 0.141 -5.705) 6.197 3.887 ( 2.218 2.491 -0.423) 3.362 4.041 ( -1.270 6.623 3.159) 7.447 4.158 ( 1.164 0.674 5.031) 5.207 4.366 ( 0.991 2.104 2.002) 3.069 4.416 ( 0.630 1.756 0.688) 1.988 4.984 ( -1.351 -2.223 -3.771) 4.581 5.032 ( 0.825 -14.342 -3.925) 14.893 5.327 ( -2.793 5.328 4.692) 7.629 5.447 ( -0.211 4.525 0.762) 4.594 5.689 ( -4.370 -2.005 1.561) 5.055 5.711 ( -1.251 -0.189 -0.846) 1.522 6.083 ( -2.930 -5.930 -3.567) 7.514 6.121 ( 0.425 -4.565 -3.047) 5.505 6.266 ( -3.803 1.035 3.171) 5.058 6.337 ( 1.208 -10.215 2.485) 10.582 6.565 ( 4.789 0.571 0.459) 4.845 6.685 ( 1.373 3.699 -3.266) 5.122 6.992 ( -3.230 7.497 -4.848) 9.494 7.080 ( -1.586 2.310 -3.149) 4.215 7.372 ( -1.357 3.544 1.953) 4.268 7.618 ( 0.157 -4.516 -8.496) 9.623 11.798 ( -4.124 -1.314 2.730) 5.117 12.075 ( -1.461 0.418 -5.154) 5.374 12.370 ( 1.594 1.205 0.920) 2.200 12.422 ( 2.935 0.816 1.382) 3.345 14.017 ( -0.325 -0.794 0.485) 0.986 14.101 ( 0.359 -1.522 -2.068) 2.593 14.440 ( -0.136 5.297 1.003) 5.393 14.536 ( 0.045 4.277 -1.523) 4.540 16.915 ( -1.859 -2.876 4.632) 5.760 16.996 ( -0.704 -2.817 4.216) 5.119 17.087 ( -0.227 -1.135 -1.836) 2.170 17.337 ( 0.180 0.398 -3.428) 3.456 17.419 ( 0.387 1.321 1.466) 2.011 17.499 ( -3.109 1.065 -2.327) 4.027 17.746 ( 1.044 -0.581 1.203) 1.696 17.771 ( -0.167 1.007 0.967) 1.406 19.184 ( 1.290 1.718 1.231) 2.476 19.365 ( 5.404 0.926 -1.208) 5.615 19.594 ( -2.175 -2.905 -0.297) 3.641 19.746 ( -0.603 -1.269 -2.532) 2.895 28.299 ( -2.289 -1.996 -0.460) 3.071 28.398 ( 0.617 -7.402 -0.309) 7.434 28.741 ( 1.054 -0.056 1.407) 1.759 28.865 ( -0.830 -3.351 -2.723) 4.397 29.716 ( 1.001 -3.991 3.193) 5.208 29.880 ( 0.461 -9.696 -0.618) 9.727 30.270 ( 0.249 -9.137 7.018) 11.524 30.659 ( -0.117 -7.998 -5.450) 9.679 31.923 ( 0.778 6.823 3.564) 7.737 32.169 ( 4.789 12.215 -3.901) 13.688 32.764 ( -3.494 28.900 15.828) 33.135 34.271 ( -15.298 37.000 -31.654) 51.039 35.394 ( 5.812 0.523 3.548) 6.830 35.897 ( 6.335 -4.807 3.173) 8.562 36.034 ( -4.596 -5.649 3.993) 8.305 36.612 ( 2.886 -11.921 -6.641) 13.948 ======================= Grid point 157 (75/132) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 5.178 4.039 11.522) 13.262 1.423 ( 1.865 4.977 11.539) 12.704 1.767 ( 1.455 3.212 -1.911) 4.011 1.994 ( -3.468 3.564 3.212) 5.920 2.169 ( 0.358 3.902 -5.244) 6.546 2.228 ( -5.276 8.845 2.438) 10.583 2.385 ( -2.295 1.803 1.486) 3.275 2.455 ( 6.570 13.714 2.952) 15.490 2.618 ( 1.124 4.111 -5.446) 6.916 2.810 ( 2.468 8.294 -7.599) 11.517 2.935 ( 1.106 3.112 3.681) 4.945 3.214 ( 1.656 5.953 -4.393) 7.581 3.388 ( 3.625 -5.655 11.710) 13.500 3.572 ( -0.747 -1.761 1.812) 2.635 3.758 ( 2.776 -0.279 -5.926) 6.550 3.958 ( 4.758 1.461 0.654) 5.020 4.043 ( 0.757 6.723 1.364) 6.901 4.174 ( -0.827 -0.726 6.516) 6.609 4.337 ( -2.966 3.939 0.330) 4.942 4.446 ( 1.378 2.338 0.670) 2.796 4.959 ( -0.655 -1.419 -3.620) 3.943 5.036 ( 0.237 -12.826 -4.621) 13.636 5.289 ( -1.670 3.953 5.391) 6.890 5.456 ( -0.114 3.586 1.806) 4.017 5.603 ( -2.788 -1.972 -0.426) 3.441 5.686 ( -0.986 -0.571 -1.727) 2.069 6.023 ( -2.204 -7.492 -3.423) 8.527 6.108 ( -1.286 -4.494 -5.395) 7.139 6.225 ( -0.649 3.600 4.519) 5.814 6.355 ( 0.117 -9.218 3.104) 9.727 6.649 ( 4.105 1.316 -0.465) 4.336 6.710 ( 0.280 3.607 -2.179) 4.223 6.925 ( -1.636 7.350 -2.259) 7.862 7.059 ( 0.023 2.692 -3.822) 4.675 7.335 ( -3.245 3.486 3.411) 5.858 7.594 ( -0.656 -6.848 -8.314) 10.790 11.727 ( -3.367 -0.764 3.213) 4.717 12.031 ( -1.581 0.472 -5.851) 6.080 12.409 ( 1.864 1.299 1.250) 2.593 12.472 ( 1.711 0.430 0.810) 1.941 14.011 ( -0.347 -1.119 0.536) 1.289 14.101 ( 0.053 -1.654 -2.133) 2.700 14.448 ( 0.642 6.074 1.070) 6.201 14.536 ( 0.123 4.041 -1.129) 4.198 16.872 ( -2.661 -1.852 5.333) 6.241 17.009 ( 0.487 -3.262 4.612) 5.670 17.087 ( 0.747 -1.047 -2.657) 2.952 17.317 ( -1.272 0.273 -3.436) 3.674 17.420 ( -0.476 0.844 0.674) 1.181 17.450 ( -1.351 1.062 -1.613) 2.357 17.760 ( -0.092 0.719 0.720) 1.021 17.775 ( 0.578 -0.681 1.299) 1.576 19.231 ( 2.861 2.238 1.564) 3.954 19.467 ( 4.427 0.803 -2.091) 4.962 19.567 ( 0.077 -4.343 -0.109) 4.345 19.715 ( -2.304 -2.245 -0.925) 3.348 28.254 ( -1.709 -1.584 -1.008) 2.539 28.378 ( -2.496 -6.409 -1.896) 7.134 28.743 ( -0.647 -0.153 0.870) 1.095 28.867 ( 1.187 -3.530 -1.701) 4.094 29.740 ( 0.740 -3.805 3.662) 5.333 29.894 ( 0.911 -9.460 0.184) 9.505 30.276 ( -0.833 -8.839 5.852) 10.633 30.637 ( -0.869 -7.109 -5.740) 9.178 31.947 ( 0.780 7.232 4.278) 8.439 32.273 ( 6.209 13.905 -5.670) 16.250 32.727 ( -2.937 28.206 14.333) 31.775 33.786 ( -24.017 40.770 -12.827) 49.026 35.696 ( 20.201 -3.885 -9.485) 22.653 35.905 ( -5.791 -4.560 3.617) 8.210 36.050 ( 4.888 -6.275 4.471) 9.125 36.640 ( 1.177 -13.448 -6.240) 14.872 ======================= Grid point 158 (76/132) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -4.260 6.281 8.697) 11.543 1.522 ( 6.220 -0.023 11.012) 12.648 1.708 ( -8.280 4.647 8.654) 12.847 1.961 ( 0.240 -1.369 -4.670) 4.872 2.126 ( -2.444 4.376 -4.720) 6.885 2.197 ( 0.577 8.034 2.359) 8.393 2.354 ( -0.712 3.437 0.070) 3.511 2.558 ( 2.370 5.983 -0.728) 6.477 2.578 ( -3.485 7.577 -3.090) 8.893 2.820 ( -0.635 13.237 -6.615) 14.812 2.893 ( -5.043 6.950 4.221) 9.568 3.258 ( 2.256 3.588 -0.439) 4.261 3.461 ( 1.794 -2.443 11.732) 12.117 3.620 ( 4.333 -2.301 0.344) 4.918 3.790 ( 2.207 -0.738 -6.324) 6.739 4.042 ( 2.589 1.226 0.585) 2.924 4.059 ( 0.748 5.715 0.667) 5.802 4.141 ( -4.020 0.478 6.172) 7.381 4.294 ( -0.611 1.478 1.142) 1.965 4.445 ( -1.919 4.692 -0.016) 5.070 4.949 ( 0.534 -1.235 -2.935) 3.229 5.030 ( 0.396 -11.050 -5.259) 12.244 5.289 ( 0.512 2.819 5.011) 5.772 5.433 ( -1.235 -2.273 4.588) 5.267 5.607 ( 1.281 2.938 -3.630) 4.842 5.676 ( 0.714 1.752 -2.023) 2.770 5.992 ( -0.219 -9.204 -3.805) 9.962 6.090 ( 1.115 -4.495 -5.773) 7.401 6.227 ( -0.626 2.744 6.895) 7.448 6.384 ( 2.748 -7.124 1.155) 7.722 6.659 ( -4.607 0.087 0.081) 4.608 6.719 ( 3.110 2.699 -1.131) 4.270 6.944 ( 3.356 4.991 -3.034) 6.736 7.064 ( 1.114 3.602 -4.910) 6.190 7.269 ( -3.790 4.052 3.806) 6.729 7.573 ( -0.150 -7.296 -6.683) 9.895 11.696 ( -0.275 -0.330 3.555) 3.581 12.006 ( 0.155 0.037 -6.150) 6.152 12.435 ( 0.424 1.508 1.775) 2.368 12.483 ( -0.710 0.415 0.186) 0.843 14.007 ( -0.102 -1.337 0.601) 1.470 14.097 ( -0.068 -1.646 -2.074) 2.649 14.465 ( 0.800 6.271 0.944) 6.392 14.536 ( 0.113 4.110 -1.114) 4.260 16.845 ( -1.195 -2.663 5.404) 6.142 17.022 ( 0.082 -2.476 4.793) 5.395 17.103 ( 1.192 -1.322 -2.593) 3.146 17.293 ( -0.420 -0.056 -3.797) 3.821 17.400 ( -1.303 1.047 0.212) 1.685 17.447 ( 1.043 0.990 -1.146) 1.838 17.755 ( -0.448 0.765 1.072) 1.391 17.787 ( 0.257 -1.059 0.913) 1.422 19.274 ( 0.752 2.189 2.171) 3.173 19.503 ( 0.818 0.422 -4.411) 4.506 19.598 ( 1.184 -3.518 1.246) 3.915 19.673 ( -0.759 -3.878 -0.491) 3.982 28.243 ( 0.891 -1.413 -0.551) 1.759 28.310 ( -3.693 -4.311 -2.785) 6.323 28.729 ( -1.030 -0.201 1.536) 1.861 28.893 ( 1.665 -3.774 -1.893) 4.539 29.751 ( -0.420 -4.080 3.837) 5.616 29.906 ( -0.020 -8.857 1.468) 8.978 30.263 ( -1.403 -7.231 4.484) 8.623 30.616 ( -0.043 -6.529 -5.400) 8.473 31.960 ( -0.389 7.615 4.709) 8.961 32.344 ( 1.389 14.852 -7.260) 16.590 32.710 ( -1.478 27.774 14.543) 31.386 33.455 ( -7.279 42.018 -7.173) 43.242 35.791 ( -5.924 -3.064 0.221) 6.674 36.032 ( 16.472 -7.669 -11.332) 21.414 36.135 ( 2.652 -7.268 6.476) 10.089 36.626 ( -1.746 -15.348 -6.884) 16.911 ======================= Grid point 159 (77/132) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -5.949 12.981 8.324) 16.528 1.519 ( -11.421 1.914 11.911) 16.612 1.663 ( 4.941 3.375 12.063) 13.465 1.930 ( -2.617 -1.634 -5.773) 6.546 2.116 ( 2.019 3.386 -3.424) 5.222 2.234 ( 2.530 6.709 3.876) 8.151 2.352 ( -0.415 5.363 -2.454) 5.912 2.466 ( -6.801 6.932 2.728) 10.087 2.551 ( -2.129 5.421 0.496) 5.845 2.778 ( -1.828 15.249 -5.588) 16.343 2.817 ( -2.941 4.953 -2.709) 6.365 3.272 ( -1.024 -1.023 2.366) 2.773 3.495 ( -0.309 -0.036 7.669) 7.676 3.650 ( -0.901 -0.420 -4.404) 4.515 3.852 ( 3.463 -2.020 -2.645) 4.803 4.010 ( -3.861 6.230 -1.294) 7.443 4.045 ( -3.044 0.645 3.618) 4.772 4.121 ( 1.850 2.037 4.637) 5.392 4.323 ( 2.329 -0.363 2.190) 3.218 4.374 ( -5.155 5.595 0.133) 7.609 4.977 ( 2.724 -1.385 -2.679) 4.064 5.034 ( 0.770 -11.322 -5.180) 12.474 5.313 ( 1.084 3.025 3.445) 4.711 5.471 ( 4.589 -4.841 3.700) 7.628 5.590 ( -2.009 4.754 -1.523) 5.381 5.702 ( 1.653 4.229 -1.370) 4.743 6.007 ( 2.297 -8.240 -4.600) 9.713 6.123 ( 2.780 -3.630 -3.175) 5.567 6.243 ( 1.457 -1.764 4.674) 5.204 6.424 ( 0.089 -3.326 1.477) 3.640 6.563 ( -4.885 -2.964 0.236) 5.719 6.756 ( 0.643 0.003 -1.774) 1.887 7.022 ( 5.382 4.109 -5.840) 8.942 7.074 ( 0.572 3.683 -5.251) 6.439 7.240 ( 1.122 5.295 3.095) 6.235 7.562 ( -0.076 -5.936 -4.183) 7.262 11.731 ( 3.037 -0.314 3.500) 4.645 12.016 ( 1.941 -0.421 -5.728) 6.062 12.424 ( -2.073 1.085 1.064) 2.570 12.455 ( -1.879 1.191 0.948) 2.418 14.010 ( 0.230 -1.229 0.608) 1.390 14.092 ( 0.012 -1.505 -1.946) 2.460 14.476 ( 0.123 5.562 0.673) 5.604 14.537 ( 0.219 4.540 -1.448) 4.770 16.845 ( 0.219 -3.694 4.938) 6.170 17.036 ( 0.583 -1.616 4.888) 5.181 17.114 ( 0.217 -1.996 -1.779) 2.682 17.288 ( 0.571 -0.195 -4.168) 4.212 17.381 ( -0.718 1.773 0.174) 1.921 17.480 ( 2.584 1.081 -1.032) 2.985 17.748 ( -0.462 0.449 1.298) 1.449 17.787 ( -0.345 -0.780 0.707) 1.107 19.261 ( -2.148 1.205 1.821) 3.063 19.467 ( -4.341 0.467 -2.012) 4.808 19.617 ( 2.292 -3.476 -2.061) 4.646 19.693 ( 1.671 -2.811 -0.678) 3.340 28.250 ( -1.718 -2.840 -1.504) 3.644 28.283 ( 3.094 -1.334 0.200) 3.375 28.710 ( -1.291 -0.257 1.885) 2.299 28.918 ( 1.199 -3.822 -2.409) 4.675 29.738 ( -1.579 -4.679 3.458) 6.028 29.898 ( -0.935 -8.122 2.269) 8.485 30.243 ( -1.352 -5.610 3.873) 6.950 30.619 ( 1.223 -6.982 -4.621) 8.461 31.948 ( -1.606 7.562 4.313) 8.853 32.286 ( -5.293 14.015 -5.941) 16.116 32.730 ( 0.724 28.060 15.984) 32.301 33.490 ( 11.369 42.481 -10.106) 45.122 35.700 ( -3.022 -1.968 -2.612) 4.453 36.171 ( -0.097 -7.467 7.055) 10.273 36.274 ( 10.765 -9.928 -9.662) 17.545 36.526 ( -7.934 -16.121 -8.909) 20.055 ======================= Grid point 160 (78/132) ======================= q-point: (-0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -1.630 19.361 9.132) 21.468 1.335 ( -9.614 5.149 14.789) 18.375 1.725 ( -0.903 0.908 2.571) 2.872 1.904 ( 1.269 5.064 3.203) 6.125 2.132 ( -0.885 13.542 7.466) 15.489 2.268 ( -2.219 2.365 -5.477) 6.365 2.324 ( 2.880 5.819 1.967) 6.784 2.434 ( 2.449 0.767 1.622) 3.036 2.523 ( -0.782 6.365 1.705) 6.636 2.744 ( -1.039 7.873 -3.368) 8.626 2.754 ( -2.783 3.733 -6.514) 8.007 3.244 ( -1.636 -3.677 1.531) 4.306 3.463 ( -3.915 -0.194 0.176) 3.924 3.624 ( -0.539 2.473 -1.280) 2.836 3.817 ( -4.619 -0.373 -2.880) 5.456 3.932 ( -3.568 5.294 -1.308) 6.517 4.075 ( 3.166 -0.700 3.600) 4.845 4.155 ( -0.296 2.585 5.314) 5.917 4.270 ( -3.358 4.647 0.708) 5.776 4.375 ( 2.135 0.978 1.730) 2.916 5.017 ( 1.317 -5.382 -3.066) 6.333 5.034 ( 0.190 -10.179 -4.574) 11.161 5.345 ( 1.412 4.279 3.238) 5.549 5.534 ( -2.971 4.063 0.653) 5.075 5.603 ( 6.971 -2.642 1.602) 7.625 5.725 ( 0.840 3.121 0.072) 3.233 6.045 ( 2.245 -6.512 -3.625) 7.784 6.171 ( 2.186 -2.851 -1.012) 3.733 6.278 ( 0.619 -5.986 0.839) 6.076 6.397 ( -1.729 -1.104 3.025) 3.655 6.486 ( -3.274 -4.044 -0.171) 5.206 6.734 ( -2.061 0.548 -2.203) 3.066 7.062 ( -0.392 3.739 -5.926) 7.018 7.100 ( 2.955 2.113 -4.727) 5.962 7.323 ( 5.867 5.474 -2.893) 8.530 7.562 ( 1.120 -3.924 -2.273) 4.671 11.807 ( 3.670 -0.857 3.159) 4.917 12.052 ( 2.586 -0.644 -5.068) 5.726 12.376 ( -2.323 1.026 0.698) 2.634 12.417 ( -2.416 1.624 1.488) 3.270 14.016 ( 0.276 -0.896 0.564) 1.094 14.092 ( 0.266 -1.344 -1.873) 2.320 14.469 ( -0.912 4.522 0.617) 4.654 14.539 ( 0.293 4.921 -1.986) 5.315 16.869 ( 1.340 -4.139 4.385) 6.177 17.058 ( 0.294 -2.055 5.326) 5.716 17.101 ( -0.981 -2.245 -1.732) 3.000 17.301 ( 1.533 0.275 -4.217) 4.496 17.377 ( 0.366 2.495 0.801) 2.646 17.531 ( 2.560 1.027 -1.552) 3.165 17.740 ( -0.691 -0.109 1.626) 1.770 17.778 ( -0.559 0.052 0.412) 0.697 19.216 ( -2.458 0.746 1.544) 2.997 19.365 ( -5.073 1.072 -1.863) 5.509 19.651 ( 0.578 -3.754 -0.092) 3.800 19.721 ( 1.883 -0.759 -4.112) 4.586 28.251 ( 1.886 -3.349 0.781) 3.922 28.347 ( 3.029 -1.529 0.316) 3.408 28.693 ( -0.601 -0.409 2.220) 2.336 28.923 ( -0.216 -3.611 -3.005) 4.702 29.711 ( -1.510 -4.752 2.862) 5.749 29.886 ( -0.668 -8.700 1.796) 8.909 30.232 ( -0.437 -5.225 4.926) 7.194 30.640 ( 1.562 -7.736 -4.216) 8.948 31.923 ( -1.513 7.218 3.598) 8.206 32.175 ( -4.435 12.346 -3.955) 13.702 32.776 ( 0.303 28.522 17.710) 33.575 33.797 ( 22.520 41.378 -19.268) 50.898 35.682 ( 1.870 -1.926 -3.310) 4.262 36.155 ( -3.933 -7.165 6.285) 10.311 36.212 ( -18.988 -13.434 -6.367) 24.116 36.459 ( 6.514 -10.084 -9.777) 15.482 ======================= Grid point 161 (79/132) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -1.782 5.765 8.273) 10.240 1.597 ( -0.036 16.681 5.131) 17.453 1.766 ( 0.706 3.788 -2.940) 4.846 2.071 ( 1.914 3.894 7.019) 8.252 2.263 ( 2.400 0.185 -7.944) 8.301 2.308 ( 2.840 -0.690 2.937) 4.143 2.401 ( -0.202 0.855 0.816) 1.199 2.443 ( -1.020 -3.243 3.422) 4.823 2.591 ( 5.607 -6.722 -1.449) 8.873 2.729 ( -2.764 8.949 0.735) 9.395 3.002 ( 1.059 13.186 -0.613) 13.242 3.206 ( -1.538 2.482 2.678) 3.963 3.455 ( -2.726 8.634 -4.415) 10.073 3.676 ( -0.708 1.612 1.819) 2.531 3.731 ( -3.892 -0.965 -7.320) 8.346 3.932 ( -1.242 2.489 1.195) 3.027 4.091 ( 0.747 -1.784 2.114) 2.865 4.234 ( -1.192 6.517 1.399) 6.771 4.376 ( 3.103 4.419 -0.931) 5.479 4.456 ( 1.832 2.395 0.577) 3.070 4.770 ( -0.838 -9.040 0.802) 9.114 4.998 ( -0.732 -0.202 -6.312) 6.357 5.431 ( -0.031 -0.046 4.370) 4.371 5.498 ( -1.764 -1.890 2.732) 3.761 5.690 ( 3.434 -0.056 1.296) 3.671 5.782 ( -3.159 3.115 0.035) 4.436 5.950 ( 2.695 -4.971 -2.081) 6.025 6.089 ( -2.273 -2.534 -6.049) 6.941 6.128 ( -0.809 -6.927 1.800) 7.203 6.304 ( -1.837 -2.316 0.560) 3.009 6.507 ( 2.883 2.089 4.767) 5.950 6.709 ( -0.425 -0.354 -1.537) 1.634 7.100 ( -0.335 1.634 -3.471) 3.851 7.148 ( -0.158 1.245 -3.295) 3.526 7.426 ( 0.504 0.701 -0.565) 1.032 7.537 ( 1.732 -3.793 -3.423) 5.395 11.818 ( -0.969 -1.319 2.964) 3.386 12.084 ( 2.005 0.095 -5.493) 5.848 12.379 ( 0.283 0.843 1.970) 2.162 12.408 ( -1.073 0.989 1.258) 1.927 14.005 ( 0.070 -0.734 0.249) 0.778 14.062 ( 0.316 -1.835 -1.430) 2.348 14.528 ( -0.488 3.459 1.379) 3.755 14.642 ( -0.180 5.082 -2.506) 5.669 16.855 ( 1.461 -1.217 3.614) 4.084 16.992 ( -2.542 -1.426 4.138) 5.061 17.070 ( -0.074 -1.083 -1.097) 1.543 17.337 ( 1.661 0.712 -4.981) 5.298 17.440 ( 0.788 1.927 1.310) 2.460 17.562 ( -1.068 0.454 -2.040) 2.347 17.707 ( -0.008 -1.675 2.549) 3.050 17.790 ( 0.292 0.788 -0.633) 1.052 19.205 ( -0.718 1.099 1.773) 2.206 19.345 ( -0.014 1.785 -2.214) 2.844 19.579 ( -1.170 -2.429 0.962) 2.862 19.709 ( 0.853 -2.598 -3.792) 4.675 28.218 ( 1.863 -3.743 1.508) 4.444 28.320 ( -1.115 -2.804 -1.784) 3.506 28.703 ( 1.731 -0.006 1.570) 2.337 28.836 ( -1.344 -2.757 -2.565) 3.998 29.629 ( -0.004 -2.909 1.341) 3.203 29.749 ( -0.115 -3.930 -1.097) 4.082 30.146 ( -0.509 -3.527 4.028) 5.378 30.514 ( 1.157 -6.331 -6.623) 9.235 32.049 ( -0.548 6.560 4.432) 7.935 32.345 ( 0.265 9.937 -4.501) 10.912 33.324 ( -1.959 23.886 20.752) 31.702 34.768 ( 15.982 21.465 -24.817) 36.497 35.602 ( -14.371 -3.002 1.575) 14.765 35.727 ( -0.770 -2.561 -1.362) 3.001 35.971 ( -2.921 -6.897 4.391) 8.683 36.321 ( 3.688 -12.051 -6.556) 14.207 ======================= Grid point 162 (80/132) ======================= q-point: ( 0.17 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 1.352 6.737 6.354) 9.359 1.602 ( -0.878 13.415 8.448) 15.878 1.792 ( 2.433 3.420 -4.182) 5.925 2.085 ( -1.381 1.535 4.799) 5.224 2.280 ( 1.204 5.220 -4.996) 7.325 2.314 ( -1.464 -2.773 1.472) 3.464 2.418 ( -1.294 -1.206 1.681) 2.440 2.508 ( 7.546 -2.129 -0.060) 7.840 2.652 ( 1.257 6.184 -1.104) 6.406 2.773 ( 5.807 -5.279 -3.333) 8.526 3.044 ( 3.250 16.100 1.805) 16.524 3.215 ( 2.371 -1.136 5.552) 6.143 3.406 ( -1.688 10.972 -3.639) 11.683 3.605 ( -4.655 -1.571 0.189) 4.916 3.713 ( 1.997 0.003 -6.008) 6.331 3.949 ( 2.291 3.647 1.610) 4.598 4.102 ( 0.036 -1.166 4.506) 4.655 4.216 ( -1.027 5.575 -0.117) 5.670 4.439 ( 2.882 4.367 -1.394) 5.415 4.472 ( 0.290 2.789 0.208) 2.812 4.768 ( 0.479 -9.512 0.861) 9.563 4.982 ( 0.293 0.612 -5.609) 5.650 5.404 ( -3.004 0.980 4.554) 5.543 5.485 ( 0.211 -0.668 1.859) 1.987 5.644 ( -6.977 -1.762 1.463) 7.343 5.750 ( -1.111 3.285 -1.609) 3.823 5.982 ( -0.520 -2.539 -2.401) 3.533 6.038 ( -1.043 -3.413 -4.093) 5.431 6.107 ( -0.675 -10.132 0.798) 10.186 6.284 ( -0.660 -0.462 1.547) 1.744 6.586 ( 3.988 1.400 4.208) 5.964 6.717 ( 1.532 0.293 -1.399) 2.095 7.094 ( 0.228 2.727 -4.043) 4.883 7.118 ( -2.041 1.800 -2.811) 3.913 7.425 ( -0.492 1.468 0.533) 1.637 7.530 ( -1.709 -4.421 -3.954) 6.173 11.772 ( -3.737 -1.218 2.857) 4.859 12.083 ( -1.088 0.376 -5.651) 5.767 12.395 ( 1.473 1.149 1.367) 2.315 12.433 ( 2.475 0.300 1.879) 3.122 14.001 ( -0.542 -0.794 0.222) 0.986 14.063 ( 0.067 -2.032 -1.535) 2.547 14.532 ( 0.559 3.872 1.336) 4.134 14.635 ( -0.085 5.050 -2.089) 5.466 16.878 ( -0.294 -0.911 4.018) 4.131 16.954 ( -1.630 -1.405 4.408) 4.905 17.064 ( -0.087 -1.116 -2.053) 2.339 17.349 ( 0.245 0.692 -4.518) 4.578 17.449 ( -0.123 1.592 1.306) 2.063 17.516 ( -2.774 0.661 -1.872) 3.411 17.719 ( 0.610 -1.797 2.058) 2.799 17.789 ( -0.288 0.669 -0.367) 0.816 19.220 ( 1.992 1.746 1.482) 3.035 19.381 ( 3.815 0.591 -1.541) 4.156 19.546 ( -2.241 -1.747 0.237) 2.851 19.704 ( -0.855 -2.654 -2.738) 3.908 28.247 ( 0.020 -3.367 0.627) 3.425 28.280 ( -1.703 -4.018 -1.205) 4.527 28.739 ( 1.115 -0.019 0.580) 1.257 28.806 ( -0.817 -2.490 -1.939) 3.260 29.641 ( 0.899 -3.571 1.518) 3.984 29.756 ( 0.986 -3.235 -1.315) 3.629 30.145 ( -0.396 -4.308 4.179) 6.015 30.518 ( 0.436 -6.203 -6.832) 9.238 32.062 ( 0.907 6.612 4.806) 8.224 32.397 ( 5.775 10.143 -5.213) 12.783 33.301 ( -3.970 24.231 19.264) 31.209 34.832 ( -9.798 21.144 -27.176) 35.800 35.411 ( 3.053 1.282 3.825) 5.059 35.795 ( 4.179 -5.283 2.556) 7.205 35.916 ( -3.154 -5.783 2.631) 7.093 36.359 ( 1.467 -13.094 -5.425) 14.249 ======================= Grid point 163 (81/132) ======================= q-point: ( 0.33 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 3.768 5.313 5.243) 8.361 1.589 ( -2.145 10.939 10.520) 15.328 1.825 ( 1.420 1.519 -4.044) 4.547 2.037 ( -4.620 2.172 3.326) 6.092 2.270 ( -1.522 4.622 -4.573) 6.678 2.295 ( -0.574 1.756 0.786) 2.008 2.408 ( 0.158 1.539 0.387) 1.595 2.577 ( -0.085 -2.001 -1.223) 2.347 2.730 ( 5.786 3.991 -1.845) 7.267 2.830 ( 1.889 -3.706 -7.028) 8.166 3.125 ( 3.257 13.144 5.168) 14.494 3.310 ( 5.090 -0.983 7.549) 9.157 3.385 ( 0.670 8.251 -1.264) 8.374 3.558 ( -0.255 0.163 1.090) 1.131 3.744 ( 1.945 -1.065 -5.625) 6.046 4.012 ( 3.755 3.125 0.833) 4.956 4.113 ( 0.365 -1.038 5.383) 5.494 4.187 ( -2.011 3.603 -0.226) 4.133 4.423 ( -3.113 4.760 0.141) 5.689 4.513 ( 2.667 2.658 -2.589) 4.569 4.790 ( 1.578 -8.518 1.000) 8.721 4.983 ( 0.538 2.045 -4.692) 5.146 5.358 ( -2.475 2.021 4.296) 5.354 5.472 ( -4.862 -1.140 3.620) 6.168 5.547 ( 0.385 -3.263 -1.662) 3.682 5.719 ( -0.505 2.025 -4.444) 4.909 5.920 ( -4.090 -1.196 -1.159) 4.416 6.013 ( -1.235 -4.507 -4.375) 6.402 6.143 ( 3.829 -8.809 0.890) 9.647 6.265 ( -1.911 -0.955 1.878) 2.845 6.648 ( 1.035 0.589 4.527) 4.681 6.753 ( 1.943 0.604 -0.346) 2.064 7.061 ( -1.667 5.024 -3.292) 6.234 7.111 ( 1.294 2.220 -4.049) 4.796 7.405 ( -2.125 2.901 1.370) 3.848 7.482 ( -1.767 -4.470 -3.469) 5.928 11.710 ( -2.856 -0.851 3.242) 4.404 12.039 ( -1.850 0.336 -5.999) 6.287 12.435 ( 2.075 1.218 1.423) 2.795 12.478 ( 1.496 0.128 1.492) 2.117 13.989 ( -0.645 -1.056 0.255) 1.263 14.060 ( -0.083 -2.227 -1.691) 2.797 14.549 ( 0.903 4.022 1.124) 4.273 14.633 ( 0.225 5.201 -1.567) 5.437 16.852 ( -2.658 -0.219 5.013) 5.678 16.957 ( 0.660 -1.929 4.617) 5.047 17.065 ( 0.591 -1.139 -2.820) 3.098 17.329 ( -1.235 0.838 -4.398) 4.644 17.443 ( -0.650 1.317 0.691) 1.623 17.472 ( -1.183 1.140 -1.442) 2.187 17.732 ( 0.305 -2.410 1.742) 2.990 17.780 ( -0.535 0.280 0.005) 0.604 19.278 ( 3.443 2.401 1.385) 4.420 19.465 ( 4.716 -1.602 -0.375) 4.995 19.502 ( -1.999 -1.413 -1.001) 2.645 19.667 ( -2.474 -2.236 -1.880) 3.828 28.218 ( -1.369 -1.879 -1.485) 2.759 28.265 ( -1.131 -4.783 0.180) 4.918 28.738 ( -0.578 -0.399 -0.681) 0.978 28.809 ( 0.826 -2.143 -0.652) 2.387 29.663 ( 0.911 -3.962 1.758) 4.429 29.776 ( 1.130 -2.950 -1.187) 3.375 30.146 ( -0.254 -4.667 3.962) 6.127 30.507 ( -0.148 -5.851 -6.919) 9.063 32.092 ( 1.076 6.902 5.698) 9.014 32.519 ( 7.172 10.388 -7.142) 14.504 33.256 ( -3.891 24.024 17.794) 30.148 34.469 ( -18.358 28.374 -14.798) 36.893 35.622 ( 14.598 -3.339 -5.736) 16.036 35.811 ( -3.633 -4.585 2.868) 6.515 35.917 ( 3.193 -6.717 2.900) 7.983 36.358 ( -0.661 -14.444 -4.566) 15.162 ======================= Grid point 164 (82/132) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 3.383 3.489 4.342) 6.517 1.565 ( -2.478 9.831 11.383) 15.243 1.827 ( -0.812 3.899 0.785) 4.060 1.935 ( -5.237 1.064 -0.165) 5.347 2.221 ( -2.696 5.673 -5.593) 8.410 2.287 ( 0.016 1.713 0.614) 1.820 2.420 ( 0.673 2.874 -0.762) 3.049 2.552 ( -1.614 -3.120 -2.357) 4.230 2.739 ( -3.654 5.325 0.199) 6.461 2.895 ( 4.589 -2.870 -7.165) 8.980 3.132 ( -3.447 12.456 5.957) 14.231 3.354 ( -1.015 4.236 2.800) 5.178 3.462 ( 5.030 2.288 4.982) 7.440 3.601 ( 4.035 0.625 1.854) 4.484 3.762 ( 1.298 -2.122 -6.398) 6.864 4.079 ( 2.832 2.680 -1.064) 4.042 4.133 ( -2.387 -1.657 6.454) 7.077 4.151 ( 1.212 2.918 0.323) 3.176 4.348 ( -4.147 4.489 0.003) 6.111 4.528 ( -0.988 2.307 -3.270) 4.122 4.824 ( 1.337 -6.295 0.990) 6.511 4.987 ( 1.037 2.952 -4.428) 5.421 5.318 ( -2.133 0.022 4.464) 4.947 5.410 ( -0.746 -0.006 1.753) 1.906 5.578 ( 1.433 -3.336 -0.181) 3.636 5.750 ( 4.763 -1.476 -6.920) 8.529 5.848 ( -2.845 -0.431 -1.082) 3.075 5.999 ( 1.033 -3.108 -3.866) 5.067 6.196 ( -1.390 -5.770 2.012) 6.267 6.254 ( 3.232 -4.660 0.594) 5.702 6.627 ( -3.962 0.750 5.156) 6.545 6.777 ( 0.363 0.737 0.512) 0.969 7.056 ( 1.629 4.753 -3.379) 6.055 7.131 ( 1.409 2.776 -4.891) 5.798 7.356 ( -2.461 3.941 1.686) 4.943 7.464 ( 0.225 -3.710 -2.438) 4.445 11.688 ( 0.013 -0.492 3.630) 3.663 12.006 ( -0.300 0.006 -6.220) 6.227 12.464 ( 0.295 1.291 1.814) 2.246 12.489 ( -0.333 0.269 0.881) 0.980 13.981 ( -0.156 -1.248 0.313) 1.296 14.056 ( 0.003 -2.247 -1.735) 2.839 14.564 ( 0.274 3.734 0.955) 3.864 14.637 ( 0.517 5.459 -1.448) 5.671 16.815 ( -1.891 -0.420 5.152) 5.504 16.981 ( 0.876 -1.592 5.115) 5.428 17.074 ( 0.789 -1.360 -2.770) 3.185 17.301 ( -0.628 0.763 -4.794) 4.895 17.427 ( -0.870 1.459 0.203) 1.711 17.471 ( 1.127 1.332 -1.059) 2.041 17.735 ( -0.281 -2.653 1.711) 3.169 17.773 ( -0.155 -0.093 0.145) 0.232 19.325 ( 0.264 2.852 1.750) 3.357 19.483 ( 0.911 -2.342 -1.549) 2.952 19.533 ( 0.894 -3.036 0.281) 3.178 19.621 ( -0.682 -1.111 -2.305) 2.648 28.212 ( 1.059 -1.650 -0.908) 2.161 28.230 ( -2.143 -3.531 -0.753) 4.199 28.727 ( -0.611 0.049 0.150) 0.631 28.824 ( 0.997 -2.925 -1.227) 3.325 29.673 ( -0.238 -3.676 1.815) 4.106 29.789 ( 0.307 -3.404 -0.858) 3.523 30.148 ( -0.188 -4.283 3.653) 5.632 30.493 ( 0.111 -5.648 -6.860) 8.887 32.112 ( -0.398 7.129 6.231) 9.477 32.596 ( 1.288 10.171 -8.624) 13.397 33.230 ( -1.906 23.609 17.731) 29.587 34.207 ( -5.224 33.035 -10.899) 35.176 35.731 ( -4.260 -2.780 0.006) 5.087 35.879 ( 12.873 -7.361 -7.461) 16.600 35.980 ( 2.149 -7.937 4.829) 9.536 36.314 ( -3.255 -15.598 -4.302) 16.505 ======================= Grid point 165 (83/132) ======================= q-point: (-0.33 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -5.623 0.577 8.537) 10.239 1.560 ( 0.988 14.041 5.143) 14.986 1.811 ( -2.139 8.899 8.137) 12.246 1.894 ( 2.662 -1.553 -4.876) 5.769 2.173 ( -0.798 3.345 -3.684) 5.040 2.303 ( 1.404 1.570 -0.279) 2.125 2.413 ( -1.094 1.112 -1.656) 2.275 2.517 ( -2.115 -1.731 -0.053) 2.734 2.644 ( -5.696 2.652 0.756) 6.328 2.909 ( -2.518 0.405 -4.224) 4.934 3.059 ( -3.778 13.720 2.405) 14.432 3.311 ( -3.659 4.535 3.358) 6.725 3.529 ( 1.029 2.614 1.325) 3.107 3.662 ( 1.405 2.144 1.811) 3.139 3.796 ( 3.050 -3.819 -6.115) 7.828 4.068 ( -4.083 0.684 5.752) 7.087 4.092 ( -1.433 3.035 -3.913) 5.155 4.197 ( 1.970 3.644 3.308) 5.301 4.316 ( 1.647 1.207 0.887) 2.226 4.467 ( -4.256 2.977 -3.173) 6.086 4.828 ( -1.176 -6.505 1.103) 6.701 5.009 ( 1.820 2.560 -5.229) 6.100 5.321 ( 1.702 -3.059 4.094) 5.386 5.443 ( 3.801 2.344 0.270) 4.474 5.591 ( -0.260 -3.031 2.662) 4.043 5.807 ( 0.443 -5.168 -2.245) 5.652 5.850 ( 4.318 2.970 -5.611) 7.678 6.043 ( 3.851 -3.007 -3.279) 5.884 6.158 ( -1.755 -4.576 0.994) 5.001 6.323 ( 2.537 -6.963 0.025) 7.411 6.543 ( -5.086 2.390 5.804) 8.078 6.767 ( -1.331 -0.203 0.139) 1.353 7.093 ( 2.419 2.601 -3.486) 4.976 7.141 ( 0.447 2.669 -4.990) 5.677 7.344 ( 1.272 4.171 0.664) 4.410 7.473 ( 0.918 -3.085 -1.045) 3.383 11.723 ( 2.792 -0.425 3.712) 4.664 12.009 ( 1.684 -0.277 -5.996) 6.234 12.442 ( -2.531 0.712 1.109) 2.854 12.478 ( -1.169 1.099 1.515) 2.207 13.985 ( 0.493 -1.184 0.331) 1.324 14.055 ( 0.214 -2.080 -1.622) 2.646 14.561 ( -0.744 3.312 0.981) 3.533 14.645 ( 0.511 5.511 -1.841) 5.833 16.804 ( -0.223 -0.757 4.626) 4.693 17.007 ( 0.758 -1.223 5.550) 5.734 17.078 ( -0.001 -1.451 -2.271) 2.695 17.294 ( 0.852 0.690 -5.247) 5.361 17.417 ( -0.188 1.693 0.123) 1.708 17.505 ( 2.549 1.378 -1.022) 3.073 17.728 ( -0.773 -2.448 1.971) 3.236 17.775 ( 0.298 -0.138 -0.056) 0.334 19.294 ( -3.074 1.880 1.371) 3.855 19.469 ( -4.117 -0.435 -0.475) 4.168 19.541 ( 2.664 -3.602 -0.818) 4.554 19.649 ( 2.595 -1.689 -2.569) 4.023 28.194 ( -1.209 -2.606 -0.581) 2.931 28.252 ( 3.049 -1.687 -0.383) 3.506 28.710 ( -1.295 0.289 0.506) 1.420 28.843 ( 1.135 -3.454 -1.663) 3.998 29.660 ( -1.321 -3.136 1.563) 3.745 29.782 ( -0.766 -3.921 -0.596) 4.039 30.150 ( -0.310 -3.562 3.511) 5.011 30.491 ( 0.883 -5.839 -6.684) 8.919 32.098 ( -2.013 7.055 5.771) 9.334 32.530 ( -5.780 10.107 -7.464) 13.830 33.251 ( 0.524 23.442 19.121) 30.255 34.241 ( 9.894 32.749 -12.697) 36.491 35.663 ( -2.381 -1.586 -1.949) 3.462 36.009 ( 0.004 -8.579 5.246) 10.056 36.071 ( 7.456 -9.875 -5.872) 13.697 36.217 ( -5.392 -14.702 -5.768) 16.689 ======================= Grid point 166 (84/132) ======================= q-point: (-0.17 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -5.286 3.192 8.792) 10.744 1.584 ( 0.674 17.359 4.036) 17.835 1.778 ( -1.501 3.785 -0.036) 4.072 1.987 ( 5.426 3.778 4.541) 8.021 2.189 ( 3.227 -0.118 -2.033) 3.815 2.310 ( -0.928 2.026 -3.245) 3.936 2.415 ( 2.081 -2.634 1.759) 3.790 2.456 ( -4.038 1.139 2.259) 4.765 2.561 ( -2.422 -2.844 0.010) 3.735 2.817 ( -5.574 5.795 -0.717) 8.073 3.009 ( -1.574 11.994 -1.207) 12.157 3.247 ( -3.201 4.792 2.684) 6.358 3.513 ( -2.142 5.038 -2.992) 6.238 3.676 ( 0.095 2.798 1.154) 3.028 3.802 ( -1.637 -1.713 -5.001) 5.534 3.995 ( -4.827 0.842 2.622) 5.558 4.069 ( 0.881 0.509 -1.753) 2.027 4.238 ( 1.082 4.879 3.974) 6.385 4.354 ( -0.161 3.038 -1.005) 3.204 4.411 ( 1.298 2.694 -0.602) 3.051 4.796 ( -1.919 -7.926 1.034) 8.220 5.019 ( 0.084 0.713 -6.299) 6.340 5.385 ( 3.530 -2.795 3.889) 5.950 5.515 ( 1.274 -0.698 0.823) 1.669 5.602 ( 2.783 -0.474 3.601) 4.575 5.815 ( 0.037 3.666 -0.684) 3.729 5.906 ( 2.526 -5.342 -3.785) 7.017 6.103 ( 2.186 -2.177 -2.476) 3.956 6.137 ( -0.697 -5.342 -1.661) 5.638 6.337 ( -0.961 -5.418 -0.123) 5.504 6.483 ( -1.705 2.934 6.009) 6.901 6.734 ( -1.765 -0.769 -0.773) 2.075 7.114 ( -0.037 1.097 -3.349) 3.524 7.141 ( 1.028 2.163 -4.101) 4.749 7.395 ( 3.139 1.722 -1.658) 3.945 7.497 ( 1.982 -2.693 -0.752) 3.427 11.790 ( 2.902 -0.846 3.444) 4.582 12.043 ( 2.814 -0.238 -5.594) 6.266 12.394 ( -2.226 0.724 1.218) 2.639 12.446 ( -2.399 1.231 1.574) 3.122 13.997 ( 0.624 -0.932 0.299) 1.161 14.058 ( 0.369 -1.864 -1.472) 2.403 14.543 ( -1.155 3.183 1.192) 3.590 14.647 ( 0.116 5.287 -2.378) 5.799 16.822 ( 1.188 -1.006 3.938) 4.235 17.019 ( -0.897 -1.617 5.326) 5.638 17.071 ( -0.018 -1.006 -1.780) 2.045 17.311 ( 1.837 0.727 -5.297) 5.654 17.422 ( 0.670 1.988 0.621) 2.188 17.552 ( 2.152 1.032 -1.483) 2.810 17.714 ( -1.007 -2.190 2.397) 3.400 17.783 ( 0.516 0.376 -0.449) 0.780 19.237 ( -2.788 1.169 1.544) 3.395 19.386 ( -3.616 0.973 -1.708) 4.116 19.580 ( 1.026 -3.108 0.689) 3.344 19.688 ( 2.004 -2.191 -3.781) 4.807 28.189 ( 0.732 -2.749 0.516) 2.891 28.309 ( 2.413 -2.148 -0.729) 3.312 28.689 ( -0.594 0.073 0.967) 1.137 28.853 ( 0.095 -3.192 -2.108) 3.826 29.637 ( -1.117 -2.760 1.325) 3.259 29.763 ( -1.004 -4.163 -0.703) 4.340 30.149 ( -0.492 -3.166 3.665) 4.869 30.501 ( 1.338 -6.169 -6.534) 9.085 32.066 ( -1.995 6.775 4.870) 8.579 32.403 ( -5.139 10.042 -5.392) 12.503 33.300 ( 0.425 23.473 20.700) 31.299 34.479 ( 16.737 28.263 -17.677) 37.301 35.643 ( 0.728 -1.912 -2.128) 2.952 35.964 ( -11.659 -11.594 -2.244) 16.595 36.013 ( -3.563 -6.688 4.320) 8.722 36.241 ( 5.931 -11.322 -7.902) 15.027 ======================= Grid point 167 (85/132) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.583 4.057 2.864) 5.000 1.782 ( -0.081 1.085 -6.722) 6.809 1.898 ( -0.140 9.577 2.336) 9.859 2.136 ( -0.382 3.124 4.240) 5.280 2.223 ( 1.925 -1.905 2.606) 3.759 2.346 ( 0.765 1.886 -1.054) 2.292 2.358 ( 0.283 -3.634 1.630) 3.992 2.399 ( 1.079 -1.335 -0.589) 1.815 2.475 ( 5.197 -4.596 -0.632) 6.966 2.777 ( -1.912 0.092 -8.337) 8.554 3.223 ( -2.049 6.175 5.973) 8.832 3.334 ( -0.413 9.490 2.974) 9.953 3.576 ( -1.466 -0.641 -5.284) 5.521 3.685 ( -3.945 0.384 2.796) 4.851 3.724 ( -0.604 1.901 -7.983) 8.228 3.958 ( -0.896 -0.510 9.096) 9.154 4.080 ( 0.895 1.430 -5.887) 6.124 4.328 ( -0.209 2.677 1.174) 2.931 4.447 ( 1.652 2.257 -4.635) 5.413 4.498 ( 2.859 2.404 -0.091) 3.737 4.716 ( -1.272 2.910 4.524) 5.528 4.958 ( -0.920 -4.872 -3.455) 6.043 5.339 ( 2.163 -7.099 2.417) 7.805 5.470 ( -0.479 -0.071 -1.413) 1.493 5.683 ( 1.828 -0.751 3.444) 3.971 5.838 ( -3.384 2.542 0.484) 4.260 5.882 ( 4.001 -2.442 -1.497) 4.921 6.024 ( -5.264 -1.899 -3.150) 6.422 6.132 ( -1.539 3.815 -0.665) 4.168 6.273 ( 1.141 -0.565 -0.172) 1.285 6.544 ( 2.000 1.533 4.938) 5.544 6.688 ( 0.238 -1.541 -0.958) 1.830 7.111 ( -0.203 -0.145 -3.036) 3.046 7.156 ( 0.107 -0.591 -4.064) 4.108 7.428 ( 0.736 -0.289 1.471) 1.670 7.465 ( -0.006 -2.876 0.584) 2.935 11.797 ( -1.129 -0.731 3.255) 3.522 12.086 ( 2.272 0.124 -5.845) 6.272 12.391 ( 0.622 0.438 2.080) 2.215 12.422 ( -1.688 0.453 1.490) 2.296 13.993 ( 0.166 -0.438 -0.086) 0.476 14.030 ( 0.225 -1.261 -1.134) 1.710 14.585 ( -0.238 2.084 1.975) 2.881 14.724 ( -0.249 2.986 -2.509) 3.908 16.843 ( 1.315 -0.265 3.020) 3.304 16.980 ( -2.168 0.180 4.898) 5.359 17.049 ( -0.224 -1.009 -1.560) 1.871 17.350 ( 1.592 0.478 -5.532) 5.777 17.471 ( 0.701 1.121 0.939) 1.622 17.565 ( -1.388 -0.150 -1.632) 2.148 17.678 ( 0.334 -1.029 2.596) 2.812 17.802 ( 0.448 0.430 -1.649) 1.762 19.223 ( -0.442 0.704 1.882) 2.057 19.374 ( -0.182 1.050 -2.465) 2.685 19.543 ( -0.457 -1.200 1.157) 1.729 19.659 ( 0.501 -2.113 -2.691) 3.458 28.162 ( 1.116 -1.910 1.046) 2.446 28.272 ( -1.243 -1.894 -2.737) 3.553 28.705 ( 1.744 0.215 0.981) 2.012 28.794 ( -1.132 -1.475 -1.835) 2.613 29.584 ( -0.536 -1.521 0.810) 1.805 29.703 ( 0.733 -1.199 -2.485) 2.855 30.097 ( -0.861 -1.522 2.897) 3.384 30.413 ( 1.167 -3.661 -7.020) 8.003 32.156 ( -0.690 3.902 5.094) 6.454 32.500 ( 0.405 5.445 -5.281) 7.596 33.703 ( -1.591 13.656 22.107) 26.034 35.107 ( 9.321 13.337 -19.004) 25.019 35.533 ( -6.462 -4.307 1.146) 7.850 35.684 ( -1.361 -1.753 -1.816) 2.868 35.868 ( -2.523 -2.706 2.333) 4.374 36.098 ( 2.566 -9.752 -4.734) 11.140 ======================= Grid point 168 (86/132) ======================= q-point: ( 0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.991 5.189 2.173) 5.967 1.775 ( 0.524 1.134 -4.969) 5.123 1.883 ( -2.131 7.399 2.102) 7.981 2.123 ( -0.826 2.977 4.870) 5.767 2.250 ( 0.496 -2.972 3.035) 4.276 2.364 ( 1.635 2.227 -2.092) 3.466 2.400 ( 2.864 -0.509 -0.175) 2.914 2.464 ( 4.649 -1.779 0.535) 5.007 2.623 ( 9.262 -5.737 -2.034) 11.083 2.718 ( -2.426 0.201 -9.653) 9.955 3.233 ( 2.612 3.550 5.077) 6.723 3.336 ( -0.246 10.102 5.365) 11.441 3.540 ( -1.324 -4.269 -4.053) 6.034 3.592 ( -4.694 5.689 -0.321) 7.383 3.718 ( 0.659 0.835 -5.442) 5.545 3.964 ( -0.411 -2.388 9.241) 9.553 4.104 ( 2.295 2.152 -3.772) 4.912 4.310 ( -1.554 3.551 -0.749) 3.947 4.467 ( 0.508 -2.069 -3.568) 4.155 4.537 ( 1.680 4.411 -0.911) 4.807 4.720 ( 0.838 3.563 4.746) 5.993 4.960 ( 1.670 -3.693 -2.991) 5.037 5.347 ( -1.029 -5.287 2.359) 5.881 5.475 ( 1.130 0.697 -1.266) 1.834 5.634 ( -7.046 0.443 2.230) 7.404 5.804 ( -2.758 1.632 -1.977) 3.765 5.902 ( -0.552 -6.202 -1.815) 6.486 5.958 ( 0.766 -1.336 -1.712) 2.303 6.078 ( -3.525 3.842 0.777) 5.272 6.285 ( -0.196 0.701 0.146) 0.743 6.610 ( 3.441 0.916 4.380) 5.644 6.711 ( 2.013 -0.791 -0.247) 2.177 7.113 ( 1.013 -0.123 -3.272) 3.427 7.143 ( -0.625 0.313 -3.905) 3.967 7.433 ( -0.510 -0.814 0.672) 1.173 7.456 ( -0.889 -2.148 0.993) 2.528 11.753 ( -3.531 -0.675 3.077) 4.732 12.089 ( -0.969 0.204 -5.980) 6.061 12.414 ( 1.357 0.721 1.603) 2.220 12.436 ( 2.319 0.007 2.163) 3.172 13.987 ( -0.684 -0.496 -0.106) 0.852 14.028 ( -0.158 -1.338 -1.241) 1.832 14.593 ( 0.646 2.205 1.988) 3.039 14.717 ( 0.043 3.012 -2.304) 3.792 16.869 ( 0.516 -0.252 3.229) 3.279 16.943 ( -2.339 0.214 5.230) 5.733 17.043 ( 0.012 -0.993 -2.322) 2.525 17.361 ( 0.410 0.431 -5.115) 5.150 17.477 ( -0.251 1.144 1.052) 1.575 17.524 ( -2.193 0.144 -1.558) 2.694 17.686 ( -0.047 -1.327 2.190) 2.561 17.798 ( -0.603 0.212 -1.440) 1.575 19.248 ( 2.567 0.996 1.729) 3.252 19.388 ( 1.997 0.253 -1.958) 2.808 19.524 ( -1.644 -0.630 0.822) 1.943 19.655 ( -0.455 -1.958 -2.486) 3.196 28.185 ( 0.854 -2.289 1.341) 2.787 28.227 ( -2.431 -1.747 -2.746) 4.063 28.741 ( 0.629 0.210 -0.249) 0.708 28.768 ( -0.194 -1.359 -1.000) 1.698 29.584 ( 0.360 -1.982 0.711) 2.136 29.723 ( 1.614 -0.718 -2.529) 3.085 30.086 ( -0.770 -1.803 2.997) 3.581 30.419 ( 0.658 -3.606 -6.942) 7.850 32.169 ( 0.999 3.922 5.462) 6.798 32.554 ( 5.873 5.418 -5.918) 9.943 33.688 ( -3.951 14.005 21.190) 25.705 35.145 ( -4.931 10.817 -23.635) 26.456 35.443 ( 1.392 1.702 3.688) 4.294 35.699 ( 2.016 -4.048 2.048) 4.965 35.828 ( -1.937 -2.485 1.028) 3.314 36.116 ( 0.068 -10.785 -3.750) 11.418 ======================= Grid point 169 (87/132) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 2.197 4.959 1.515) 5.631 1.788 ( 1.534 1.750 -1.855) 2.976 1.834 ( -3.034 6.178 3.518) 7.729 2.098 ( -3.394 3.187 4.541) 6.503 2.271 ( 1.651 -1.834 0.323) 2.489 2.371 ( -1.107 2.888 -2.711) 4.113 2.454 ( 2.441 1.874 -2.751) 4.127 2.519 ( -0.250 -1.524 1.899) 2.448 2.701 ( 4.155 -2.755 -10.552) 11.671 2.767 ( 4.958 -4.395 -2.130) 6.960 3.317 ( 2.206 3.576 2.846) 5.075 3.350 ( 2.527 6.578 7.199) 10.073 3.494 ( -2.466 2.173 0.545) 3.331 3.561 ( 1.782 -0.295 -1.813) 2.560 3.723 ( 0.585 -0.869 -4.304) 4.429 3.972 ( -0.241 -4.790 8.809) 10.030 4.150 ( 2.891 3.624 -2.680) 5.355 4.271 ( -2.183 4.204 -0.936) 4.828 4.442 ( -2.439 -3.929 -1.993) 5.036 4.562 ( 1.010 4.047 -2.480) 4.852 4.764 ( 2.796 4.221 4.045) 6.480 4.995 ( 2.058 -1.807 -2.041) 3.416 5.337 ( -0.245 -3.714 1.996) 4.224 5.468 ( -6.695 1.432 3.193) 7.554 5.515 ( 0.122 0.166 -3.576) 3.582 5.705 ( -4.549 -2.944 -5.554) 7.759 5.921 ( 0.317 -1.043 -0.387) 1.157 5.975 ( 1.343 -0.723 -4.042) 4.320 6.033 ( -0.465 0.282 3.519) 3.561 6.259 ( -2.406 0.529 0.025) 2.463 6.666 ( 1.002 0.819 5.478) 5.629 6.752 ( 1.889 -0.440 1.221) 2.292 7.124 ( -0.273 1.752 -3.836) 4.226 7.136 ( 1.826 0.203 -3.949) 4.355 7.414 ( -1.202 -2.383 -0.078) 2.670 7.440 ( -1.020 0.846 1.496) 1.999 11.696 ( -2.556 -0.500 3.357) 4.249 12.044 ( -2.030 0.149 -6.150) 6.478 12.455 ( 2.214 0.693 1.544) 2.787 12.479 ( 1.405 0.018 1.964) 2.415 13.971 ( -0.841 -0.652 -0.073) 1.067 14.022 ( -0.241 -1.469 -1.429) 2.064 14.611 ( 0.691 2.146 1.813) 2.893 14.718 ( 0.465 3.128 -1.937) 3.708 16.857 ( -2.384 0.444 4.415) 5.037 16.933 ( 0.440 -0.557 4.910) 4.961 17.044 ( 0.557 -0.868 -2.684) 2.876 17.345 ( -0.973 0.638 -5.045) 5.177 17.468 ( -0.766 1.100 0.621) 1.477 17.491 ( -0.695 0.712 -1.421) 1.735 17.685 ( -0.370 -1.983 2.113) 2.921 17.780 ( -0.839 -0.199 -1.045) 1.355 19.317 ( 4.127 1.357 1.373) 4.556 19.429 ( 1.921 -1.180 -0.626) 2.340 19.488 ( -1.848 -0.650 0.216) 1.971 19.634 ( -1.122 -1.027 -2.720) 3.117 28.185 ( -0.998 -1.310 -1.813) 2.449 28.194 ( -0.516 -2.361 0.560) 2.481 28.728 ( -0.430 -0.549 -1.460) 1.618 28.784 ( 0.557 -0.558 -0.076) 0.792 29.599 ( 0.934 -2.250 0.807) 2.566 29.745 ( 1.017 -0.706 -2.733) 3.000 30.082 ( -0.155 -1.925 3.180) 3.721 30.413 ( 0.119 -3.433 -6.896) 7.704 32.204 ( 1.251 4.050 6.354) 7.638 32.673 ( 6.919 5.147 -7.614) 11.504 33.640 ( -4.431 13.995 19.980) 24.793 34.915 ( -11.445 16.547 -16.765) 26.189 35.570 ( 9.168 -1.903 -1.888) 9.552 35.730 ( -0.349 -3.701 2.772) 4.637 35.813 ( 0.887 -2.765 0.386) 2.929 36.089 ( -2.174 -12.051 -2.764) 12.554 ======================= Grid point 170 (88/132) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.769 2.202 2.030) 3.092 1.797 ( -0.632 4.387 0.486) 4.459 1.827 ( 2.153 5.096 2.998) 6.293 2.030 ( -3.596 5.863 4.139) 8.028 2.281 ( -2.420 -1.291 -0.632) 2.814 2.326 ( -0.695 2.818 -4.761) 5.576 2.456 ( -1.395 -2.131 -1.939) 3.201 2.512 ( -0.347 3.592 -0.917) 3.723 2.772 ( -2.933 -2.198 -2.091) 4.220 2.797 ( 4.713 -5.135 -6.344) 9.425 3.308 ( -1.767 5.045 4.620) 7.066 3.421 ( 0.988 3.375 1.287) 3.745 3.493 ( 2.483 0.304 2.097) 3.265 3.627 ( 4.712 0.681 1.105) 4.888 3.721 ( -0.027 -1.121 -3.428) 3.607 4.000 ( 1.555 -6.486 8.376) 10.707 4.178 ( -0.040 4.048 -5.428) 6.772 4.244 ( 0.015 4.904 2.370) 5.447 4.381 ( -3.065 -2.575 -1.752) 4.370 4.554 ( -1.442 2.232 -3.240) 4.190 4.817 ( 1.067 4.459 3.626) 5.846 5.026 ( 1.613 -0.587 -2.314) 2.882 5.315 ( -4.282 -0.916 2.873) 5.237 5.379 ( 0.641 -2.520 1.088) 2.818 5.531 ( 0.612 -1.114 -2.546) 2.846 5.652 ( 0.431 -3.764 -6.087) 7.170 5.919 ( 0.986 3.435 -2.233) 4.214 5.993 ( 1.456 1.757 -2.369) 3.289 6.073 ( 2.674 -4.930 2.706) 6.227 6.211 ( -1.881 -0.184 -0.220) 1.903 6.660 ( -2.711 1.676 6.727) 7.444 6.772 ( -0.272 -0.742 1.759) 1.928 7.122 ( 0.761 2.179 -4.097) 4.703 7.161 ( 1.289 0.279 -4.253) 4.453 7.398 ( -0.555 -0.231 1.308) 1.439 7.425 ( -0.536 0.029 0.400) 0.670 11.679 ( 0.214 -0.325 3.736) 3.756 12.006 ( -0.565 -0.012 -6.304) 6.329 12.483 ( -0.445 0.548 1.785) 1.920 12.495 ( 0.570 0.284 1.465) 1.598 13.961 ( -0.180 -0.750 -0.019) 0.772 14.017 ( 0.031 -1.524 -1.505) 2.142 14.620 ( -0.085 1.978 1.629) 2.564 14.726 ( 0.637 3.212 -1.779) 3.727 16.819 ( -2.077 0.446 4.619) 5.084 16.960 ( 1.192 -0.580 5.228) 5.393 17.052 ( 0.689 -0.813 -2.432) 2.655 17.317 ( -0.637 0.756 -5.473) 5.562 17.453 ( -0.769 1.041 0.177) 1.306 17.496 ( 1.295 1.044 -1.197) 2.049 17.682 ( -0.400 -2.323 2.204) 3.228 17.768 ( -0.169 -0.406 -0.860) 0.966 19.380 ( -0.044 2.563 1.411) 2.926 19.434 ( 1.102 -2.079 0.089) 2.354 19.479 ( -0.160 -2.362 0.128) 2.371 19.614 ( -0.005 0.031 -3.460) 3.460 28.176 ( -1.292 -1.859 -0.022) 2.264 28.183 ( 1.176 -1.167 -1.305) 2.109 28.729 ( 0.472 0.066 -0.534) 0.716 28.782 ( -0.371 -1.329 -0.955) 1.678 29.615 ( 0.403 -2.074 0.996) 2.336 29.747 ( -0.245 -1.182 -2.860) 3.105 30.090 ( 0.322 -1.737 3.248) 3.697 30.402 ( 0.129 -3.322 -6.946) 7.701 32.226 ( -0.384 4.159 6.899) 8.065 32.743 ( 1.033 4.769 -8.796) 10.059 33.607 ( -2.394 13.720 19.629) 24.068 34.743 ( -2.482 20.612 -13.990) 25.035 35.688 ( -1.622 -1.482 -0.201) 2.207 35.752 ( 8.053 -5.292 -2.887) 10.060 35.847 ( 1.511 -4.449 2.115) 5.152 36.029 ( -3.445 -12.629 -2.219) 13.277 ======================= Grid point 171 (89/132) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -3.535 0.627 2.743) 4.518 1.809 ( 1.055 3.289 -2.489) 4.257 1.867 ( 1.212 6.579 2.999) 7.332 2.006 ( 0.920 8.723 5.718) 10.470 2.218 ( -2.549 -0.476 -0.753) 2.700 2.322 ( 0.304 1.087 -3.368) 3.552 2.412 ( -2.717 -1.323 -1.334) 3.303 2.487 ( -2.032 0.332 -0.493) 2.117 2.649 ( -8.359 -1.599 -0.882) 8.556 2.845 ( 0.884 -4.581 -6.914) 8.340 3.289 ( -1.249 8.166 5.185) 9.753 3.394 ( -3.063 3.844 2.157) 5.368 3.557 ( 3.152 -0.274 -0.373) 3.185 3.712 ( 1.675 -3.544 -8.715) 9.556 3.722 ( 2.646 2.637 5.244) 6.438 4.018 ( -2.204 -4.984 9.168) 10.665 4.150 ( -1.374 2.662 -8.163) 8.696 4.269 ( 1.774 4.212 3.036) 5.487 4.355 ( 1.430 0.607 -0.542) 1.645 4.504 ( -2.774 1.758 -4.159) 5.299 4.802 ( -2.829 3.446 4.084) 6.047 5.034 ( -0.645 -2.035 -3.092) 3.757 5.253 ( -1.714 -3.134 3.366) 4.909 5.460 ( 6.737 -1.436 0.768) 6.931 5.522 ( -0.955 -2.056 -1.571) 2.758 5.694 ( 4.493 -2.818 -4.663) 7.062 5.938 ( 0.279 2.606 -2.610) 3.699 6.043 ( 4.466 2.864 -2.551) 5.887 6.102 ( -0.024 -1.897 1.825) 2.632 6.214 ( 1.932 -2.906 -0.597) 3.541 6.599 ( -4.463 2.493 7.178) 8.812 6.749 ( -2.193 -1.328 1.156) 2.812 7.131 ( 0.679 1.352 -4.089) 4.360 7.165 ( -0.005 -0.114 -4.070) 4.071 7.394 ( 0.046 1.275 1.181) 1.738 7.430 ( 0.906 -1.429 1.058) 1.995 11.715 ( 2.635 -0.292 3.913) 4.726 12.005 ( 1.616 -0.120 -6.185) 6.394 12.452 ( -2.616 0.313 1.393) 2.980 12.496 ( -0.978 0.634 1.673) 2.039 13.966 ( 0.687 -0.700 0.001) 0.981 14.018 ( 0.388 -1.444 -1.395) 2.045 14.613 ( -0.957 1.857 1.619) 2.643 14.733 ( 0.384 3.175 -1.979) 3.761 16.802 ( -0.431 0.266 4.070) 4.101 16.990 ( 0.750 -0.463 5.704) 5.772 17.057 ( 0.202 -0.706 -2.050) 2.177 17.309 ( 0.865 0.707 -5.930) 6.034 17.445 ( -0.011 1.060 0.021) 1.060 17.530 ( 2.332 0.975 -1.158) 2.781 17.677 ( -0.497 -2.195 2.457) 3.332 17.772 ( 0.742 -0.223 -1.016) 1.278 19.326 ( -4.040 1.139 1.252) 4.380 19.450 ( -2.353 -1.127 -0.866) 2.749 19.491 ( 2.968 -1.345 0.784) 3.352 19.626 ( 1.477 -0.753 -3.218) 3.619 28.153 ( -0.889 -1.461 -0.240) 1.727 28.222 ( 2.819 -1.270 -0.987) 3.246 28.720 ( -1.426 0.735 -0.519) 1.687 28.787 ( 1.143 -2.184 -0.939) 2.638 29.614 ( -0.651 -1.539 1.033) 1.965 29.729 ( -0.996 -1.698 -2.760) 3.390 30.101 ( 0.153 -1.478 3.146) 3.479 30.397 ( 0.674 -3.399 -7.048) 7.854 32.212 ( -2.238 4.140 6.465) 7.996 32.679 ( -5.416 4.904 -7.894) 10.756 33.624 ( 0.185 13.473 20.571) 24.592 34.778 ( 7.805 21.052 -14.429) 26.689 35.643 ( -2.267 -0.215 -0.998) 2.486 35.830 ( -2.093 -9.666 2.353) 10.166 35.908 ( 5.387 -6.099 -3.306) 8.783 35.972 ( -0.912 -8.858 -2.459) 9.239 ======================= Grid point 172 (90/132) ======================= q-point: (-0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -1.791 2.170 2.914) 4.051 1.801 ( -0.613 1.185 -6.138) 6.281 1.889 ( 0.505 9.907 3.684) 10.582 2.079 ( 4.515 5.206 5.014) 8.523 2.195 ( 0.089 0.175 1.457) 1.470 2.330 ( 1.024 -0.581 -1.709) 2.075 2.365 ( -1.523 -0.949 -0.320) 1.823 2.447 ( -1.503 -1.992 0.176) 2.502 2.483 ( -8.029 -2.881 -0.521) 8.546 2.822 ( -1.328 -2.040 -8.005) 8.367 3.263 ( -2.816 10.916 7.468) 13.523 3.348 ( -1.607 4.461 0.765) 4.803 3.595 ( 0.778 0.875 -2.873) 3.103 3.709 ( -0.009 -0.258 -3.830) 3.838 3.760 ( -0.289 -1.077 -1.115) 1.577 3.976 ( -2.856 -1.425 8.980) 9.530 4.100 ( -1.614 1.805 -8.046) 8.403 4.310 ( 1.611 2.521 2.599) 3.963 4.420 ( 3.853 3.091 0.705) 4.990 4.455 ( -0.658 1.858 -5.256) 5.613 4.750 ( -2.958 2.764 4.232) 5.856 4.997 ( -2.156 -4.415 -3.411) 5.981 5.273 ( 2.927 -6.189 3.154) 7.538 5.494 ( -1.434 -0.950 -1.725) 2.436 5.597 ( 6.209 -0.349 2.496) 6.701 5.789 ( 5.693 -2.291 -2.779) 6.737 5.907 ( -3.014 1.814 -0.580) 3.565 6.093 ( -1.383 -0.425 -1.126) 1.834 6.121 ( 3.065 3.445 -2.166) 5.095 6.249 ( 1.548 -2.765 -0.750) 3.257 6.538 ( -2.579 2.301 6.723) 7.559 6.707 ( -1.941 -1.805 -0.092) 2.652 7.126 ( -0.509 0.303 -3.431) 3.482 7.158 ( 0.246 -0.512 -4.098) 4.137 7.407 ( 0.992 -0.047 0.925) 1.358 7.453 ( 0.971 -1.655 1.424) 2.390 11.776 ( 2.400 -0.510 3.728) 4.463 12.041 ( 3.071 -0.043 -5.905) 6.656 12.404 ( -2.193 0.359 1.533) 2.699 12.465 ( -2.461 0.621 1.587) 2.993 13.982 ( 0.881 -0.546 -0.033) 1.037 14.025 ( 0.495 -1.310 -1.211) 1.851 14.595 ( -1.068 1.903 1.790) 2.823 14.732 ( -0.080 3.066 -2.341) 3.859 16.815 ( 0.939 0.008 3.380) 3.508 17.001 ( -0.810 -0.284 5.429) 5.497 17.055 ( -0.047 -0.728 -1.650) 1.804 17.326 ( 1.824 0.619 -5.912) 6.218 17.453 ( 0.811 1.118 0.383) 1.433 17.568 ( 1.435 0.448 -1.551) 2.160 17.673 ( -0.368 -1.654 2.834) 3.302 17.789 ( 1.115 0.202 -1.405) 1.805 19.256 ( -3.166 0.706 1.644) 3.637 19.402 ( -2.132 0.526 -2.024) 2.986 19.534 ( 1.262 -1.533 1.102) 2.271 19.647 ( 1.234 -1.660 -2.919) 3.578 28.147 ( 0.266 -1.489 0.284) 1.539 28.270 ( 1.912 -1.643 -1.660) 3.018 28.694 ( -0.729 0.331 0.006) 0.801 28.804 ( 0.461 -1.748 -1.177) 2.158 29.598 ( -1.004 -1.247 0.935) 1.854 29.707 ( -0.634 -1.714 -2.580) 3.162 30.105 ( -0.412 -1.381 2.976) 3.307 30.403 ( 1.169 -3.564 -7.076) 8.009 32.176 ( -2.286 4.010 5.558) 7.225 32.557 ( -4.926 5.273 -6.129) 9.467 33.672 ( 0.477 13.391 21.840) 25.623 34.939 ( 10.957 18.338 -16.143) 26.775 35.603 ( -2.113 -2.628 0.071) 3.372 35.757 ( -4.719 -8.579 -1.613) 9.923 35.912 ( -2.208 -3.108 1.678) 4.165 36.035 ( 4.962 -8.780 -5.317) 11.400 ======================= Grid point 173 (91/132) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.742 0.000 1.074) 2.047 1.778 ( -0.249 0.000 -8.572) 8.575 2.010 ( -1.224 0.000 2.134) 2.461 2.160 ( 1.931 0.000 -0.493) 1.993 2.215 ( -1.925 0.000 6.965) 7.226 2.313 ( 0.948 0.000 0.787) 1.232 2.363 ( 1.311 0.000 -0.342) 1.355 2.382 ( 2.802 0.000 -1.153) 3.030 2.428 ( 2.659 0.000 -0.223) 2.669 2.781 ( -0.711 0.000 -9.423) 9.449 3.301 ( -3.429 0.000 4.601) 5.738 3.418 ( -0.752 0.000 0.471) 0.888 3.540 ( -1.924 0.000 -1.118) 2.226 3.684 ( -1.709 0.000 -0.938) 1.950 3.764 ( 0.008 0.000 -2.869) 2.869 3.947 ( -1.888 0.000 10.271) 10.443 4.103 ( 1.143 0.000 -8.131) 8.211 4.354 ( 0.195 0.000 1.409) 1.422 4.462 ( -0.103 0.000 -4.896) 4.897 4.537 ( 3.623 0.000 -0.003) 3.623 4.809 ( -1.965 0.000 3.000) 3.587 4.842 ( 0.350 0.000 -0.178) 0.393 5.250 ( 2.451 0.000 1.755) 3.014 5.477 ( 0.280 0.000 -4.560) 4.569 5.673 ( 1.668 0.000 4.512) 4.810 5.858 ( 3.179 0.000 -1.171) 3.388 5.867 ( -3.217 0.000 0.462) 3.250 6.008 ( -5.953 0.000 -2.648) 6.515 6.185 ( -1.452 0.000 -1.010) 1.769 6.271 ( 2.138 0.000 0.153) 2.143 6.562 ( 1.633 0.000 4.231) 4.535 6.666 ( 0.667 0.000 -0.699) 0.967 7.107 ( -0.419 0.000 -3.006) 3.035 7.143 ( 0.368 0.000 -4.103) 4.119 7.423 ( 1.015 0.000 2.390) 2.597 7.437 ( -0.890 0.000 2.051) 2.236 11.790 ( -1.178 0.000 3.381) 3.580 12.088 ( 2.346 0.000 -5.955) 6.400 12.396 ( 0.756 0.000 2.090) 2.223 12.427 ( -1.910 0.000 1.570) 2.472 13.989 ( 0.192 0.000 -0.246) 0.313 14.017 ( 0.212 0.000 -1.024) 1.046 14.606 ( -0.164 0.000 2.215) 2.221 14.754 ( -0.272 0.000 -2.464) 2.479 16.841 ( 1.201 0.000 2.833) 3.077 16.986 ( -2.062 0.000 6.019) 6.363 17.036 ( -0.208 0.000 -2.572) 2.581 17.355 ( 1.514 0.000 -5.655) 5.854 17.482 ( 0.729 0.000 0.765) 1.057 17.562 ( -1.445 0.000 -1.344) 1.973 17.668 ( 0.403 0.000 2.393) 2.426 17.807 ( 0.480 0.000 -2.051) 2.106 19.231 ( -0.355 0.000 1.915) 1.948 19.384 ( -0.248 0.000 -2.561) 2.573 19.531 ( -0.162 0.000 1.174) 1.185 19.637 ( 0.348 0.000 -2.180) 2.208 28.143 ( 0.878 0.000 0.851) 1.223 28.252 ( -1.206 0.000 -3.068) 3.296 28.708 ( 1.771 0.000 0.766) 1.929 28.779 ( -1.106 0.000 -1.569) 1.919 29.569 ( -0.763 0.000 0.679) 1.021 29.692 ( 1.110 0.000 -2.966) 3.167 30.082 ( -0.951 0.000 2.542) 2.714 30.376 ( 1.148 0.000 -7.017) 7.111 32.195 ( -0.738 0.000 5.294) 5.345 32.555 ( 0.471 0.000 -5.528) 5.548 33.842 ( -1.410 0.000 22.547) 22.591 35.269 ( 5.519 0.000 -20.036) 20.782 35.460 ( -2.672 0.000 4.178) 4.959 35.664 ( -0.807 0.000 -2.072) 2.224 35.858 ( -2.431 0.000 -0.216) 2.441 35.981 ( 1.752 0.000 -2.577) 3.116 ======================= Grid point 175 (92/132) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.732 0.000 1.076) 2.936 1.762 ( 0.210 0.000 -8.701) 8.704 1.972 ( -2.550 0.000 2.910) 3.869 2.188 ( 1.493 -0.000 1.429) 2.066 2.192 ( -2.259 0.000 7.582) 7.912 2.389 ( 1.545 -0.000 -0.275) 1.569 2.389 ( 5.652 0.000 -3.555) 6.677 2.456 ( 4.872 0.000 0.631) 4.913 2.542 ( 8.015 0.000 -2.236) 8.321 2.727 ( -2.854 0.000 -10.327) 10.714 3.310 ( 3.723 0.000 6.619) 7.594 3.386 ( -1.668 0.000 -2.022) 2.621 3.500 ( -2.385 0.000 2.018) 3.124 3.638 ( -3.187 0.000 -1.049) 3.355 3.740 ( -1.459 0.000 -4.088) 4.340 3.934 ( -1.607 0.000 10.449) 10.572 4.130 ( 2.927 0.000 -5.530) 6.256 4.350 ( -0.696 0.000 -0.526) 0.873 4.439 ( -1.944 0.000 -3.209) 3.751 4.590 ( 2.131 0.000 -1.150) 2.422 4.800 ( 0.509 0.000 3.366) 3.405 4.879 ( 3.289 0.000 -0.018) 3.289 5.279 ( 0.458 0.000 1.340) 1.416 5.491 ( 1.911 0.000 -4.061) 4.488 5.642 ( -6.241 0.000 3.804) 7.309 5.807 ( -7.636 0.000 -4.775) 9.006 5.851 ( 2.108 0.000 0.342) 2.136 5.946 ( 0.284 0.000 -0.388) 0.481 6.131 ( -3.620 0.000 0.228) 3.627 6.296 ( 0.093 0.000 0.263) 0.279 6.620 ( 3.166 0.000 3.628) 4.815 6.699 ( 2.458 0.000 0.288) 2.475 7.107 ( 1.061 0.000 -3.196) 3.368 7.142 ( 0.278 0.000 -4.077) 4.087 7.414 ( -1.624 0.000 1.480) 2.197 7.444 ( 0.538 0.000 2.405) 2.464 11.746 ( -3.466 0.000 3.175) 4.700 12.091 ( -0.952 0.000 -6.090) 6.164 12.421 ( 1.141 0.000 1.600) 1.965 12.435 ( 2.463 0.000 2.327) 3.388 13.982 ( -0.749 0.000 -0.263) 0.793 14.015 ( -0.227 0.000 -1.135) 1.158 14.615 ( 0.631 0.000 2.256) 2.342 14.748 ( 0.087 0.000 -2.330) 2.332 16.866 ( 0.736 0.000 2.960) 3.050 16.949 ( -2.699 0.000 5.959) 6.542 17.031 ( 0.196 0.000 -2.829) 2.836 17.365 ( 0.469 0.000 -5.247) 5.268 17.490 ( -0.147 0.000 0.924) 0.935 17.524 ( -1.912 0.000 -1.410) 2.376 17.672 ( -0.423 0.000 2.109) 2.151 17.800 ( -0.793 0.000 -1.868) 2.030 19.258 ( 2.706 0.000 1.863) 3.285 19.391 ( 1.349 0.000 -2.209) 2.588 19.518 ( -1.475 0.000 1.135) 1.861 19.635 ( -0.109 0.000 -2.368) 2.371 28.162 ( 0.765 0.000 1.212) 1.433 28.209 ( -2.252 0.000 -3.006) 3.756 28.746 ( -1.681 0.000 -1.967) 2.587 28.752 ( 2.167 0.000 0.767) 2.299 29.564 ( 0.168 0.000 0.489) 0.517 29.716 ( 1.792 0.000 -3.002) 3.496 30.069 ( -0.859 0.000 2.646) 2.782 30.382 ( 0.720 0.000 -6.848) 6.886 32.209 ( 1.026 0.000 5.648) 5.740 32.607 ( 5.791 0.000 -6.112) 8.420 33.830 ( -3.890 0.000 21.904) 22.247 35.256 ( -3.617 0.000 -22.161) 22.454 35.463 ( 2.313 0.000 3.136) 3.897 35.654 ( 0.562 0.000 1.756) 1.844 35.818 ( -1.377 0.000 -0.796) 1.590 35.985 ( -0.969 0.000 -1.751) 2.001 ======================= Grid point 177 (93/132) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.394 0.000 0.743) 1.580 1.760 ( 1.159 0.000 -7.422) 7.512 1.943 ( -1.255 0.000 6.465) 6.586 2.146 ( -3.027 0.000 4.457) 5.388 2.229 ( 2.344 0.000 1.205) 2.636 2.416 ( -3.387 -0.000 -2.027) 3.947 2.417 ( 1.286 0.000 -0.612) 1.425 2.571 ( 6.078 0.000 -2.266) 6.486 2.676 ( 5.415 0.000 -1.841) 5.720 2.682 ( 1.395 0.000 -11.403) 11.488 3.364 ( -0.751 0.000 0.900) 1.172 3.445 ( 7.460 0.000 8.188) 11.077 3.463 ( -1.216 -0.000 0.371) 1.271 3.563 ( -3.240 0.000 -2.527) 4.109 3.714 ( -0.394 0.000 -3.373) 3.396 3.923 ( -1.370 0.000 10.573) 10.662 4.190 ( 3.861 0.000 -3.672) 5.328 4.328 ( -1.272 0.000 -1.685) 2.111 4.379 ( -3.568 -0.000 -1.659) 3.935 4.612 ( 0.280 0.000 -1.848) 1.869 4.843 ( 3.495 0.000 2.542) 4.321 4.943 ( 2.726 0.000 0.575) 2.786 5.285 ( 0.060 0.000 1.940) 1.941 5.493 ( -8.851 0.000 2.880) 9.308 5.522 ( 1.516 0.000 -4.709) 4.947 5.664 ( -4.839 0.000 -6.335) 7.972 5.907 ( 2.958 0.000 -0.978) 3.115 5.957 ( 1.148 0.000 -1.350) 1.772 6.069 ( -2.727 0.000 2.063) 3.420 6.269 ( -2.679 0.000 0.109) 2.681 6.674 ( 1.283 0.000 5.088) 5.248 6.745 ( 1.831 0.000 1.857) 2.608 7.132 ( 2.018 0.000 -3.615) 4.141 7.141 ( 0.442 0.000 -4.409) 4.431 7.390 ( -0.941 0.000 1.351) 1.646 7.447 ( -0.609 0.000 1.822) 1.921 11.691 ( -2.462 0.000 3.410) 4.206 12.045 ( -2.093 0.000 -6.210) 6.553 12.462 ( 2.271 0.000 1.583) 2.769 12.479 ( 1.371 0.000 2.132) 2.535 13.965 ( -0.907 0.000 -0.217) 0.932 14.007 ( -0.314 0.000 -1.342) 1.378 14.632 ( 0.586 0.000 2.102) 2.182 14.750 ( 0.534 0.000 -2.018) 2.087 16.862 ( -2.099 0.000 4.014) 4.529 16.929 ( 0.085 0.000 5.320) 5.321 17.034 ( 0.646 0.000 -2.734) 2.809 17.352 ( -0.809 0.000 -5.212) 5.274 17.481 ( -0.859 0.000 0.613) 1.055 17.498 ( -0.335 0.000 -1.460) 1.498 17.664 ( -0.711 0.000 2.152) 2.267 17.777 ( -1.023 0.000 -1.468) 1.789 19.330 ( 4.220 0.000 1.620) 4.520 19.421 ( 1.876 0.000 -1.386) 2.332 19.479 ( -2.800 0.000 1.115) 3.014 19.625 ( -0.371 0.000 -2.987) 3.010 28.170 ( -0.236 0.000 0.845) 0.877 28.172 ( -0.956 -0.000 -2.240) 2.436 28.721 ( -0.395 0.000 -1.488) 1.539 28.779 ( 0.502 0.000 -0.084) 0.509 29.576 ( 0.909 0.000 0.538) 1.056 29.738 ( 0.909 0.000 -3.324) 3.446 30.064 ( -0.095 0.000 2.939) 2.941 30.378 ( 0.201 0.000 -6.748) 6.751 32.245 ( 1.309 0.000 6.519) 6.649 32.724 ( 6.675 0.000 -7.668) 10.167 33.783 ( -4.619 0.000 20.809) 21.315 35.091 ( -7.732 0.000 -19.207) 20.705 35.549 ( 5.912 0.000 1.385) 6.072 35.684 ( 1.223 0.000 2.494) 2.778 35.809 ( 0.971 0.000 -2.054) 2.271 35.938 ( -3.751 0.000 -0.647) 3.807 ======================= Grid point 179 (94/132) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.699 0.000 0.676) 2.782 1.778 ( 1.810 0.000 -5.631) 5.915 1.949 ( 0.714 0.000 7.300) 7.335 2.121 ( -0.199 -0.000 4.008) 4.013 2.257 ( -1.708 0.000 -1.743) 2.440 2.315 ( -3.180 0.000 -0.867) 3.296 2.427 ( -0.258 0.000 -1.066) 1.097 2.605 ( -2.171 0.000 -5.340) 5.764 2.710 ( -1.798 0.000 -0.701) 1.930 2.737 ( 4.824 0.000 -7.858) 9.221 3.352 ( -0.752 0.000 3.636) 3.713 3.475 ( 2.578 0.000 -1.964) 3.241 3.485 ( -1.316 0.000 1.131) 1.735 3.619 ( 5.228 0.000 -0.504) 5.252 3.719 ( 1.430 0.000 1.929) 2.401 3.927 ( 0.077 0.000 9.936) 9.936 4.231 ( 0.217 0.000 -5.956) 5.960 4.306 ( -0.226 0.000 1.229) 1.249 4.321 ( -1.312 0.000 -1.379) 1.903 4.588 ( -2.402 0.000 -2.199) 3.257 4.919 ( 2.802 0.000 1.383) 3.125 4.965 ( -0.763 -0.000 0.737) 1.061 5.288 ( -1.335 0.000 2.582) 2.907 5.360 ( -3.241 -0.000 2.701) 4.219 5.518 ( -0.153 0.000 -6.465) 6.466 5.627 ( 1.426 0.000 -5.546) 5.726 5.949 ( 1.763 0.000 -2.296) 2.894 6.000 ( 3.860 0.000 -3.451) 5.177 6.048 ( 0.228 0.000 4.260) 4.266 6.216 ( -2.395 0.000 0.224) 2.406 6.677 ( -2.069 0.000 6.553) 6.872 6.762 ( -0.650 0.000 2.282) 2.373 7.144 ( 0.683 0.000 -4.722) 4.771 7.159 ( 1.126 0.000 -3.845) 4.007 7.389 ( 0.535 0.000 1.885) 1.960 7.430 ( -1.317 0.000 1.228) 1.801 11.676 ( 0.278 0.000 3.779) 3.790 12.006 ( -0.644 0.000 -6.340) 6.373 12.487 ( -0.877 0.000 1.772) 1.977 12.498 ( 1.053 0.000 1.684) 1.986 13.953 ( -0.179 0.000 -0.159) 0.239 14.001 ( 0.027 0.000 -1.430) 1.430 14.640 ( -0.201 0.000 1.912) 1.922 14.759 ( 0.657 0.000 -1.848) 1.961 16.824 ( -2.126 0.000 4.332) 4.826 16.955 ( 1.239 0.000 5.343) 5.485 17.044 ( 0.730 0.000 -2.304) 2.417 17.325 ( -0.606 0.000 -5.663) 5.695 17.464 ( -0.799 0.000 0.156) 0.814 17.507 ( 1.390 0.000 -1.283) 1.892 17.657 ( -0.457 0.000 2.318) 2.362 17.763 ( -0.140 0.000 -1.258) 1.266 19.412 ( 3.137 0.000 0.839) 3.247 19.417 ( -3.161 0.000 1.725) 3.601 19.446 ( 0.649 0.000 -0.740) 0.984 19.615 ( 0.077 0.000 -3.588) 3.589 28.157 ( -1.048 0.000 0.108) 1.054 28.171 ( 1.218 0.000 -1.471) 1.910 28.729 ( 1.341 0.000 -0.609) 1.473 28.770 ( -1.343 0.000 -0.987) 1.667 29.594 ( 0.649 0.000 0.764) 1.002 29.736 ( -0.509 0.000 -3.552) 3.588 30.074 ( 0.478 0.000 3.079) 3.116 30.368 ( 0.132 0.000 -6.820) 6.822 32.268 ( -0.368 0.000 7.058) 7.068 32.790 ( 0.920 0.000 -8.723) 8.771 33.747 ( -2.620 0.000 20.308) 20.476 34.968 ( -0.686 0.000 -16.678) 16.692 35.669 ( 5.556 0.000 0.296) 5.564 35.690 ( -0.606 0.000 0.546) 0.816 35.846 ( 2.661 0.000 -1.239) 2.935 35.849 ( -4.845 -0.000 0.035) 4.845 ======================= Grid point 181 (95/132) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -3.134 0.000 0.756) 3.224 1.799 ( 1.142 0.000 -5.275) 5.398 1.986 ( 1.297 0.000 6.752) 6.875 2.144 ( 1.654 -0.000 4.433) 4.732 2.166 ( -4.165 0.000 -0.881) 4.258 2.317 ( 0.859 0.000 -2.466) 2.611 2.405 ( -1.601 0.000 -1.419) 2.139 2.506 ( -6.377 0.000 -3.047) 7.067 2.617 ( -7.250 0.000 -0.301) 7.256 2.792 ( 2.197 0.000 -8.102) 8.394 3.362 ( 1.237 0.000 4.123) 4.305 3.460 ( -2.477 0.000 2.493) 3.514 3.531 ( 3.037 0.000 -2.164) 3.729 3.671 ( 2.457 0.000 -7.841) 8.217 3.754 ( 0.245 0.000 7.032) 7.037 3.955 ( 0.593 0.000 9.081) 9.100 4.181 ( -3.006 0.000 -8.434) 8.953 4.321 ( 0.724 0.000 2.882) 2.971 4.349 ( 4.253 0.000 -1.200) 4.419 4.529 ( -2.785 0.000 -3.007) 4.098 4.920 ( -2.592 0.000 1.691) 3.095 4.923 ( -3.336 -0.000 0.746) 3.418 5.219 ( -3.664 0.000 4.176) 5.556 5.439 ( 7.915 0.000 1.643) 8.084 5.510 ( 0.144 0.000 -7.127) 7.128 5.674 ( 4.266 0.000 -3.644) 5.611 5.960 ( -0.392 0.000 -2.106) 2.142 6.074 ( 3.153 0.000 -1.793) 3.627 6.091 ( 3.936 0.000 1.177) 4.108 6.197 ( 0.504 0.000 0.047) 0.506 6.626 ( -4.224 0.000 7.042) 8.211 6.731 ( -2.663 0.000 1.510) 3.061 7.147 ( 0.412 -0.000 -4.675) 4.693 7.156 ( -0.647 0.000 -3.548) 3.606 7.409 ( -0.910 -0.000 1.189) 1.497 7.412 ( 1.283 0.000 2.456) 2.771 11.712 ( 2.579 0.000 3.989) 4.750 12.004 ( 1.613 0.000 -6.250) 6.455 12.455 ( -2.609 0.000 1.527) 3.023 12.503 ( -0.961 0.000 1.699) 1.952 13.959 ( 0.770 0.000 -0.139) 0.782 14.003 ( 0.446 0.000 -1.320) 1.393 14.631 ( -1.000 0.000 1.878) 2.128 14.765 ( 0.341 0.000 -1.980) 2.009 16.806 ( -0.536 0.000 3.810) 3.847 16.986 ( 0.815 0.000 5.825) 5.882 17.050 ( 0.240 0.000 -1.984) 1.998 17.317 ( 0.840 0.000 -6.124) 6.181 17.456 ( -0.000 0.000 -0.041) 0.041 17.540 ( 2.136 0.000 -1.242) 2.471 17.654 ( -0.293 0.000 2.612) 2.628 17.769 ( 1.007 0.000 -1.417) 1.739 19.336 ( -4.428 0.000 1.378) 4.637 19.438 ( -1.180 0.000 -1.223) 1.700 19.479 ( 2.733 0.000 1.272) 3.015 19.618 ( 0.845 0.000 -3.265) 3.373 28.138 ( -0.784 0.000 -0.173) 0.803 28.208 ( 2.690 0.000 -1.247) 2.965 28.732 ( -2.137 0.000 -1.258) 2.480 28.761 ( 1.806 0.000 -0.269) 1.826 29.599 ( -0.348 0.000 0.954) 1.016 29.712 ( -1.099 0.000 -3.521) 3.688 30.088 ( 0.258 0.000 2.964) 2.975 30.363 ( 0.592 0.000 -7.008) 7.033 32.254 ( -2.299 0.000 6.647) 7.034 32.727 ( -5.185 0.000 -7.933) 9.477 33.761 ( 0.021 0.000 21.016) 21.016 35.013 ( 7.738 0.000 -16.721) 18.424 35.666 ( -6.192 0.000 2.922) 6.847 35.678 ( -0.352 -0.000 -1.493) 1.534 35.845 ( 4.683 0.000 -2.395) 5.260 35.886 ( 1.469 0.000 -0.478) 1.545 ======================= Grid point 183 (96/132) ======================= q-point: (-0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.525 0.000 0.889) 1.033 1.797 ( -0.088 0.000 -7.049) 7.050 2.010 ( 0.203 0.000 4.787) 4.792 2.130 ( 0.339 0.000 0.256) 0.425 2.198 ( 2.595 0.000 5.180) 5.793 2.322 ( 0.201 0.000 -2.996) 3.003 2.370 ( -1.617 0.000 -1.501) 2.206 2.390 ( -4.465 -0.000 0.387) 4.482 2.471 ( -6.673 0.000 0.477) 6.689 2.798 ( 0.419 0.000 -9.302) 9.312 3.387 ( -5.376 0.000 3.818) 6.594 3.402 ( 1.680 0.000 3.807) 4.161 3.563 ( 0.435 0.000 -2.893) 2.926 3.700 ( 1.178 0.000 -5.649) 5.771 3.758 ( -0.040 0.000 2.698) 2.698 3.965 ( -1.419 0.000 9.763) 9.866 4.119 ( -1.298 0.000 -9.736) 9.822 4.340 ( 0.751 0.000 2.633) 2.738 4.443 ( 4.832 0.000 -1.707) 5.125 4.487 ( -0.652 0.000 -2.939) 3.011 4.859 ( -3.559 0.000 2.253) 4.212 4.864 ( -2.473 -0.000 0.339) 2.496 5.202 ( 1.123 0.000 3.739) 3.904 5.492 ( -0.570 0.000 -6.008) 6.035 5.589 ( 6.406 0.000 2.686) 6.946 5.768 ( 5.694 0.000 -1.934) 6.014 5.927 ( -2.682 0.000 -0.355) 2.706 6.088 ( -1.575 0.000 -0.866) 1.797 6.171 ( 3.332 0.000 -2.301) 4.049 6.227 ( 2.292 0.000 -0.265) 2.308 6.563 ( -2.871 0.000 6.433) 7.045 6.682 ( -2.142 0.000 0.103) 2.145 7.130 ( -1.242 -0.000 -3.115) 3.353 7.145 ( 0.280 0.000 -4.391) 4.400 7.405 ( 0.274 0.000 1.767) 1.788 7.436 ( 0.542 0.000 2.500) 2.558 11.771 ( 2.234 0.000 3.840) 4.443 12.041 ( 3.170 0.000 -6.003) 6.789 12.408 ( -2.176 0.000 1.636) 2.722 12.471 ( -2.501 0.000 1.587) 2.962 13.977 ( 0.985 0.000 -0.181) 1.001 14.011 ( 0.544 0.000 -1.120) 1.245 14.614 ( -1.010 0.000 2.027) 2.264 14.763 ( -0.140 0.000 -2.284) 2.289 16.815 ( 0.784 0.000 3.168) 3.263 17.001 ( -0.535 0.000 6.059) 6.082 17.046 ( -0.239 0.000 -2.167) 2.181 17.332 ( 1.764 0.000 -6.070) 6.322 17.465 ( 0.826 0.000 0.256) 0.865 17.571 ( 0.941 0.000 -1.503) 1.773 17.656 ( 0.123 0.000 2.882) 2.884 17.791 ( 1.390 0.000 -1.809) 2.282 19.263 ( -3.239 0.000 1.705) 3.661 19.407 ( -1.483 0.000 -2.171) 2.629 19.519 ( 1.243 0.000 1.205) 1.731 19.630 ( 0.789 0.000 -2.525) 2.645 28.132 ( 0.141 0.000 0.198) 0.243 28.252 ( 1.724 0.000 -2.019) 2.655 28.698 ( -0.847 0.000 -0.413) 0.942 28.786 ( 0.655 0.000 -0.742) 0.990 29.586 ( -1.021 0.000 0.916) 1.372 29.690 ( -0.370 0.000 -3.253) 3.274 30.091 ( -0.407 0.000 2.714) 2.745 30.366 ( 1.088 0.000 -7.104) 7.187 32.217 ( -2.379 0.000 5.759) 6.231 32.609 ( -4.722 0.000 -6.330) 7.897 33.808 ( 0.493 0.000 22.156) 22.161 35.155 ( 9.289 0.000 -17.942) 20.204 35.542 ( -6.417 0.000 4.008) 7.566 35.673 ( 0.161 0.000 -2.809) 2.813 35.893 ( -0.818 0.000 -0.423) 0.921 35.930 ( 4.096 0.000 -2.861) 4.996 ======================= Grid point 209 (97/132) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 10.991 0.000 16.078) 19.476 1.266 ( -1.938 0.000 9.216) 9.418 1.392 ( -5.999 0.000 -4.353) 7.412 1.635 ( -0.935 0.000 -14.152) 14.183 1.867 ( -8.500 0.000 18.164) 20.054 2.156 ( 6.311 0.000 -12.754) 14.230 2.336 ( 2.200 0.000 20.602) 20.719 2.429 ( -2.180 0.000 1.524) 2.660 2.535 ( 1.055 0.000 2.978) 3.160 2.665 ( 8.866 0.000 2.879) 9.321 2.790 ( 0.021 0.000 -4.396) 4.396 2.946 ( -6.320 0.000 -23.322) 24.163 3.552 ( 0.302 0.000 7.270) 7.276 3.642 ( 1.503 0.000 4.220) 4.480 3.671 ( -0.921 0.000 -4.693) 4.782 3.711 ( -1.867 0.000 -3.116) 3.633 4.095 ( -3.724 0.000 8.719) 9.481 4.193 ( 0.108 0.000 0.214) 0.240 4.391 ( -3.374 0.000 3.002) 4.516 4.484 ( 7.329 0.000 -7.858) 10.745 5.197 ( -1.888 0.000 1.788) 2.600 5.234 ( 1.527 0.000 -2.115) 2.609 5.341 ( 2.417 0.000 3.385) 4.159 5.419 ( 0.070 0.000 -4.446) 4.446 5.671 ( -1.249 0.000 3.389) 3.612 5.733 ( 1.329 0.000 -3.108) 3.380 6.054 ( -1.064 0.000 -0.375) 1.128 6.056 ( 1.038 0.000 -0.911) 1.381 6.395 ( -2.078 0.000 5.185) 5.586 6.497 ( 4.125 0.000 -4.970) 6.459 6.559 ( 6.894 0.000 -0.035) 6.894 6.563 ( -15.045 0.000 -0.478) 15.053 6.777 ( -2.237 0.000 4.149) 4.713 6.880 ( 2.596 0.000 -6.417) 6.922 7.403 ( 2.719 0.000 7.300) 7.790 7.544 ( -1.549 0.000 -7.429) 7.589 11.948 ( -0.369 0.000 3.876) 3.894 12.027 ( 0.083 0.000 -4.313) 4.313 12.327 ( 1.327 0.000 0.652) 1.478 12.337 ( -1.108 0.000 -0.352) 1.163 14.048 ( -0.099 0.000 0.757) 0.763 14.067 ( 0.189 0.000 -1.275) 1.289 14.370 ( -0.469 0.000 2.884) 2.922 14.420 ( 0.369 0.000 -2.346) 2.375 17.130 ( 1.689 0.000 0.936) 1.931 17.135 ( -0.844 0.000 -0.031) 0.844 17.202 ( -5.313 0.000 2.476) 5.862 17.261 ( 2.548 0.000 -3.192) 4.084 17.390 ( 3.616 0.000 1.669) 3.983 17.426 ( -2.550 0.000 -2.048) 3.270 17.737 ( -0.563 0.000 0.650) 0.860 17.742 ( 0.880 0.000 0.090) 0.885 19.191 ( -3.081 0.000 1.690) 3.514 19.225 ( 2.652 0.000 -1.825) 3.220 19.697 ( 1.662 0.000 0.935) 1.907 19.712 ( -1.816 0.000 -0.635) 1.924 28.409 ( -2.252 0.000 2.293) 3.214 28.465 ( 4.791 0.000 -3.485) 5.924 28.803 ( 0.751 0.000 5.010) 5.066 28.898 ( -1.163 0.000 -4.895) 5.031 29.956 ( -0.960 0.000 6.524) 6.594 30.086 ( -0.000 0.000 -7.059) 7.059 30.996 ( -4.119 0.000 4.583) 6.162 31.081 ( 9.583 0.000 -4.369) 10.532 31.819 ( 2.799 0.000 1.453) 3.154 31.848 ( -1.551 0.000 -1.556) 2.197 32.069 ( 5.860 0.000 4.621) 7.463 32.135 ( -2.201 0.000 -2.317) 3.195 35.788 ( -24.912 0.000 0.956) 24.931 35.808 ( 14.271 0.000 -1.136) 14.316 36.421 ( -6.311 0.000 9.520) 11.422 36.612 ( 6.797 0.000 -10.300) 12.341 ======================= Grid point 210 (98/132) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 7.521 0.000 -15.032) 16.808 1.397 ( 19.716 0.000 13.691) 24.004 1.462 ( 9.758 0.000 16.169) 18.885 1.667 ( 6.263 0.000 -12.374) 13.869 1.762 ( -5.563 0.000 16.924) 17.815 2.232 ( 1.752 0.000 -8.745) 8.919 2.279 ( -10.968 0.000 14.269) 17.997 2.358 ( -3.899 0.000 -0.515) 3.933 2.508 ( -3.120 0.000 -2.985) 4.318 2.694 ( -5.508 0.000 -2.992) 6.269 2.862 ( 6.869 0.000 4.712) 8.330 2.863 ( 2.135 0.000 -19.388) 19.506 3.598 ( 2.752 0.000 8.416) 8.854 3.659 ( 0.088 0.000 -4.741) 4.742 3.717 ( 2.283 0.000 -2.239) 3.197 3.719 ( 4.910 0.000 4.323) 6.542 4.053 ( -1.704 0.000 9.067) 9.226 4.198 ( 0.041 0.000 1.551) 1.551 4.317 ( -4.022 0.000 0.102) 4.023 4.557 ( 2.178 0.000 -9.382) 9.631 5.149 ( -2.866 0.000 3.057) 4.191 5.248 ( 0.312 0.000 -2.253) 2.275 5.369 ( -1.034 0.000 1.600) 1.905 5.401 ( -1.370 0.000 -4.803) 4.995 5.650 ( -1.006 0.000 2.355) 2.561 5.728 ( -1.533 0.000 -2.543) 2.969 6.021 ( -1.986 0.000 -0.185) 1.994 6.037 ( -2.979 0.000 1.051) 3.159 6.332 ( -4.215 0.000 4.030) 5.832 6.340 ( -6.560 0.000 1.820) 6.808 6.579 ( 5.438 0.000 -3.647) 6.548 6.689 ( 3.535 0.000 5.591) 6.615 6.772 ( 1.901 0.000 3.057) 3.599 6.915 ( 1.756 0.000 -5.851) 6.109 7.447 ( 0.103 0.000 7.286) 7.287 7.511 ( 0.209 0.000 -10.451) 10.453 11.900 ( -4.602 0.000 4.391) 6.360 11.978 ( -3.553 0.000 -4.528) 5.755 12.353 ( 2.249 0.000 -0.146) 2.254 12.388 ( 3.891 0.000 0.148) 3.894 14.049 ( 0.080 0.000 0.759) 0.763 14.070 ( 0.365 0.000 -1.305) 1.355 14.365 ( -0.540 0.000 2.927) 2.976 14.421 ( 0.167 0.000 -2.318) 2.324 17.088 ( -4.753 0.000 2.672) 5.453 17.109 ( -1.272 0.000 -0.408) 1.336 17.176 ( 0.972 0.000 3.375) 3.512 17.295 ( 0.198 0.000 -2.226) 2.235 17.373 ( -1.335 0.000 -2.606) 2.928 17.434 ( 0.757 0.000 0.832) 1.124 17.731 ( -0.178 0.000 0.463) 0.496 17.762 ( 1.027 0.000 -0.278) 1.064 19.175 ( 1.078 0.000 2.331) 2.568 19.311 ( 5.515 0.000 -2.104) 5.902 19.691 ( 0.089 0.000 -0.906) 0.910 19.731 ( 1.430 0.000 1.400) 2.001 28.342 ( -4.267 0.000 0.465) 4.292 28.490 ( -1.353 0.000 -5.754) 5.911 28.826 ( 0.478 0.000 5.299) 5.321 28.879 ( 0.299 0.000 -4.524) 4.534 29.969 ( 0.803 0.000 7.539) 7.582 30.097 ( 2.310 0.000 -6.160) 6.579 30.892 ( -6.086 0.000 -0.447) 6.103 31.115 ( -4.277 0.000 -5.275) 6.791 31.825 ( -0.214 0.000 -2.209) 2.219 31.855 ( 0.577 0.000 1.045) 1.194 32.106 ( -0.179 0.000 -3.838) 3.842 32.186 ( 2.854 0.000 -0.485) 2.895 35.507 ( -2.979 0.000 7.260) 7.848 36.106 ( 14.891 0.000 6.939) 16.429 36.293 ( -8.882 0.000 8.428) 12.244 36.701 ( 4.656 0.000 -10.546) 11.528 ======================= Grid point 211 (99/132) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 13.091 0.000 -14.695) 19.680 1.639 ( -4.220 0.000 16.467) 16.999 1.725 ( 13.011 0.000 14.028) 19.133 1.793 ( 5.679 0.000 -5.270) 7.748 1.830 ( 15.331 0.000 8.182) 17.378 2.102 ( -4.886 0.000 9.102) 10.330 2.133 ( -8.101 0.000 -2.448) 8.463 2.309 ( -3.280 0.000 -5.287) 6.222 2.407 ( -6.969 0.000 -4.444) 8.265 2.566 ( -6.954 0.000 -6.552) 9.554 2.911 ( 7.211 0.000 -14.955) 16.602 2.968 ( 0.235 0.000 8.234) 8.237 3.656 ( 1.567 0.000 -2.852) 3.254 3.666 ( 2.216 0.000 8.562) 8.845 3.768 ( 3.080 0.000 -2.633) 4.052 3.773 ( -1.355 0.000 4.343) 4.549 4.101 ( 5.455 0.000 6.432) 8.433 4.196 ( -0.713 0.000 1.748) 1.888 4.256 ( -2.172 0.000 -0.081) 2.173 4.538 ( -2.588 0.000 -9.085) 9.447 5.110 ( -2.014 0.000 5.897) 6.231 5.240 ( -0.497 0.000 -3.237) 3.275 5.322 ( -2.665 0.000 1.273) 2.954 5.353 ( -2.391 0.000 -3.162) 3.964 5.643 ( -0.342 0.000 0.992) 1.050 5.685 ( -1.912 0.000 -1.428) 2.386 5.987 ( -2.037 0.000 2.335) 3.099 5.991 ( -0.869 0.000 -0.447) 0.977 6.267 ( -3.023 0.000 3.996) 5.011 6.295 ( 0.376 0.000 -2.316) 2.346 6.694 ( 7.137 0.000 -3.135) 7.795 6.714 ( -0.515 0.000 6.755) 6.775 6.831 ( 2.158 0.000 2.242) 3.112 6.914 ( -0.856 0.000 -4.622) 4.700 7.427 ( -3.461 0.000 7.763) 8.499 7.520 ( 2.735 0.000 -12.858) 13.146 11.821 ( -3.943 0.000 4.928) 6.311 11.910 ( -2.108 0.000 -5.470) 5.862 12.399 ( 2.180 0.000 0.799) 2.322 12.446 ( 1.919 0.000 -0.704) 2.044 14.053 ( 0.135 0.000 0.829) 0.840 14.075 ( 0.319 0.000 -1.309) 1.347 14.361 ( -0.345 0.000 2.959) 2.979 14.418 ( 0.018 0.000 -2.364) 2.364 17.032 ( -1.553 0.000 3.932) 4.228 17.094 ( -0.302 0.000 -0.625) 0.694 17.189 ( -0.398 0.000 3.408) 3.431 17.259 ( -1.848 0.000 -3.510) 3.967 17.380 ( 1.382 0.000 -1.445) 1.999 17.428 ( -1.205 0.000 0.081) 1.208 17.734 ( 0.378 0.000 0.910) 0.985 17.774 ( 0.162 0.000 -0.599) 0.620 19.226 ( 3.199 0.000 3.473) 4.722 19.381 ( 1.801 0.000 -3.419) 3.865 19.719 ( 2.790 0.000 -1.390) 3.117 19.749 ( -0.028 0.000 1.971) 1.971 28.278 ( -1.975 0.000 -0.202) 1.985 28.413 ( -4.832 0.000 -5.591) 7.390 28.834 ( -0.658 0.000 5.194) 5.235 28.890 ( 1.497 0.000 -4.412) 4.659 30.005 ( 1.274 0.000 8.105) 8.204 30.142 ( 3.039 0.000 -5.776) 6.527 30.805 ( -1.865 0.000 -3.290) 3.782 30.951 ( -11.136 0.000 0.520) 11.148 31.832 ( 1.154 0.000 -1.943) 2.260 31.852 ( -0.888 0.000 1.194) 1.488 32.111 ( 1.356 0.000 -3.700) 3.941 32.152 ( -5.011 0.000 2.974) 5.827 35.662 ( 15.483 0.000 -1.218) 15.531 36.111 ( -11.488 0.000 6.565) 13.232 36.357 ( 9.100 0.000 11.318) 14.523 36.751 ( 2.541 0.000 -11.763) 12.034 ======================= Grid point 212 (100/132) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -13.660 0.000 11.262) 17.704 1.689 ( 7.258 0.000 -5.765) 9.269 1.846 ( 2.375 0.000 12.887) 13.104 1.852 ( -2.813 0.000 3.096) 4.184 2.079 ( 9.240 0.000 -1.840) 9.422 2.097 ( 7.196 0.000 0.990) 7.263 2.190 ( 1.345 0.000 1.407) 1.946 2.222 ( -2.655 0.000 -6.375) 6.906 2.259 ( -1.546 0.000 2.783) 3.184 2.370 ( -12.253 0.000 -5.586) 13.466 2.865 ( -10.130 0.000 7.437) 12.567 3.080 ( 11.137 0.000 -12.326) 16.612 3.691 ( -3.126 0.000 4.910) 5.821 3.705 ( -3.535 0.000 4.735) 5.909 3.747 ( 7.616 0.000 -2.275) 7.949 3.805 ( 0.894 0.000 -3.222) 3.344 4.175 ( -1.545 0.000 2.213) 2.699 4.198 ( 0.961 0.000 -0.068) 0.964 4.270 ( 4.589 0.000 8.031) 9.250 4.426 ( -7.227 0.000 -6.716) 9.866 5.099 ( -0.212 0.000 7.252) 7.255 5.221 ( -0.928 0.000 -3.200) 3.332 5.307 ( 0.672 0.000 -0.311) 0.740 5.326 ( 0.661 0.000 -3.192) 3.260 5.637 ( -0.363 0.000 1.158) 1.214 5.665 ( 0.124 0.000 -1.377) 1.382 5.967 ( -0.474 0.000 1.602) 1.671 5.991 ( 1.013 0.000 -0.912) 1.363 6.238 ( -0.683 0.000 3.223) 3.295 6.318 ( 2.517 0.000 -4.899) 5.508 6.698 ( -2.885 0.000 6.399) 7.020 6.826 ( 6.767 0.000 -3.851) 7.786 6.856 ( 0.678 0.000 0.208) 0.710 6.879 ( -1.507 0.000 -4.900) 5.126 7.360 ( -4.522 0.000 8.928) 10.007 7.554 ( 2.798 0.000 -11.803) 12.130 11.783 ( -0.765 0.000 5.056) 5.114 11.888 ( 0.949 0.000 -5.931) 6.006 12.429 ( 0.659 0.000 1.475) 1.615 12.453 ( -0.904 0.000 -1.051) 1.387 14.056 ( -0.044 0.000 0.892) 0.893 14.076 ( 0.048 0.000 -1.288) 1.289 14.363 ( -0.063 0.000 2.945) 2.946 14.414 ( 0.071 0.000 -2.442) 2.443 17.040 ( 1.398 0.000 3.347) 3.627 17.087 ( -0.213 0.000 -1.610) 1.624 17.177 ( -1.227 0.000 3.706) 3.904 17.242 ( 0.612 0.000 -3.272) 3.328 17.399 ( -1.689 0.000 -0.276) 1.712 17.405 ( 1.477 0.000 -0.862) 1.710 17.746 ( 0.591 0.000 1.296) 1.425 17.766 ( -0.754 0.000 -0.735) 1.053 19.289 ( 2.382 0.000 3.743) 4.436 19.373 ( -1.458 0.000 -4.961) 5.171 19.733 ( -2.001 0.000 2.134) 2.925 19.768 ( 1.983 0.000 -1.481) 2.475 28.277 ( 1.810 0.000 0.907) 2.025 28.317 ( -3.786 0.000 -3.508) 5.161 28.823 ( -1.378 0.000 4.898) 5.089 28.913 ( 1.603 0.000 -4.523) 4.798 30.037 ( 0.319 0.000 7.624) 7.630 30.171 ( 0.928 0.000 -6.647) 6.711 30.749 ( -9.328 0.000 6.999) 11.662 30.822 ( 3.887 0.000 -1.198) 4.067 31.829 ( -1.697 0.000 1.203) 2.080 31.855 ( 1.406 0.000 -1.456) 2.024 32.064 ( -4.275 0.000 5.640) 7.077 32.141 ( 2.264 0.000 -2.479) 3.358 35.888 ( -12.264 0.000 2.640) 12.545 35.984 ( 17.593 0.000 -8.032) 19.340 36.491 ( 3.097 0.000 12.028) 12.420 36.744 ( -1.368 0.000 -14.146) 14.212 ======================= Grid point 213 (101/132) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -15.755 0.000 13.010) 20.432 1.577 ( -13.264 0.000 12.770) 18.412 1.944 ( 8.660 0.000 -12.711) 15.381 1.957 ( 0.124 0.000 9.800) 9.801 1.977 ( -5.014 0.000 -5.447) 7.403 2.011 ( -16.295 0.000 -10.172) 19.210 2.224 ( -3.634 0.000 13.332) 13.818 2.234 ( 5.253 0.000 -4.444) 6.881 2.321 ( 7.312 0.000 4.243) 8.454 2.336 ( 5.028 0.000 6.582) 8.282 2.758 ( 0.055 0.000 0.790) 0.792 3.200 ( 1.999 0.000 -13.239) 13.389 3.595 ( -3.950 0.000 2.061) 4.455 3.677 ( -2.521 0.000 7.059) 7.496 3.782 ( -2.557 0.000 -3.514) 4.345 3.860 ( 2.434 0.000 -4.068) 4.741 4.181 ( 3.330 0.000 1.952) 3.860 4.187 ( -1.627 0.000 3.090) 3.492 4.278 ( -6.044 0.000 -4.826) 7.734 4.370 ( 3.364 0.000 7.098) 7.855 5.129 ( 1.932 0.000 6.590) 6.867 5.200 ( -0.362 0.000 -2.916) 2.938 5.322 ( 0.392 0.000 0.587) 0.706 5.368 ( 3.663 0.000 -3.594) 5.131 5.643 ( 0.826 0.000 2.559) 2.689 5.678 ( 1.335 0.000 -2.301) 2.660 5.977 ( 1.425 0.000 0.912) 1.691 6.021 ( 2.114 0.000 -1.317) 2.491 6.254 ( 1.959 0.000 2.251) 2.984 6.368 ( 3.631 0.000 -5.922) 6.946 6.627 ( -4.944 0.000 3.099) 5.836 6.851 ( -0.295 0.000 -5.074) 5.082 6.859 ( -0.900 0.000 1.382) 1.649 6.902 ( 1.255 0.000 -7.428) 7.533 7.313 ( -1.561 0.000 9.219) 9.350 7.578 ( 1.511 0.000 -8.326) 8.462 11.813 ( 2.912 0.000 4.659) 5.494 11.922 ( 3.532 0.000 -5.599) 6.620 12.412 ( -3.037 0.000 -0.638) 3.104 12.426 ( -1.343 0.000 1.382) 1.927 14.054 ( -0.269 0.000 0.896) 0.936 14.073 ( -0.146 0.000 -1.265) 1.273 14.368 ( -0.002 0.000 2.895) 2.895 14.413 ( 0.283 0.000 -2.466) 2.482 17.075 ( 1.138 0.000 1.547) 1.920 17.090 ( 1.122 0.000 -2.124) 2.403 17.184 ( 2.126 0.000 4.367) 4.857 17.250 ( 0.386 0.000 -3.087) 3.111 17.365 ( -1.950 0.000 -0.005) 1.950 17.435 ( 1.679 0.000 -0.619) 1.789 17.747 ( -0.953 0.000 -0.482) 1.068 17.755 ( -0.012 0.000 1.295) 1.295 19.314 ( -0.823 0.000 3.422) 3.519 19.315 ( -3.466 0.000 -5.969) 6.902 19.691 ( -2.161 0.000 1.525) 2.645 19.779 ( -0.511 0.000 -1.163) 1.270 28.282 ( 0.985 0.000 -0.753) 1.240 28.338 ( 3.742 0.000 2.518) 4.511 28.803 ( -1.411 0.000 4.645) 4.855 28.930 ( 0.882 0.000 -4.760) 4.841 30.031 ( -2.308 0.000 6.016) 6.444 30.155 ( -1.073 0.000 -7.602) 7.677 30.675 ( 0.955 0.000 10.937) 10.978 30.922 ( 5.526 0.000 2.991) 6.283 31.798 ( -1.664 0.000 1.539) 2.266 31.874 ( 0.714 0.000 -1.100) 1.311 32.015 ( -2.067 0.000 6.151) 6.489 32.179 ( 1.506 0.000 -0.319) 1.539 35.687 ( -7.739 0.000 -2.840) 8.244 36.269 ( 13.893 0.000 -10.263) 17.273 36.529 ( -1.034 0.000 11.191) 11.239 36.620 ( -9.865 0.000 -16.238) 19.000 ======================= Grid point 214 (102/132) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -7.588 0.000 16.243) 17.928 1.362 ( -10.746 0.000 16.647) 19.814 1.652 ( -17.312 0.000 -10.692) 20.348 1.752 ( -8.382 0.000 -13.086) 15.540 2.009 ( -8.147 0.000 14.594) 16.714 2.060 ( 6.390 0.000 -14.284) 15.648 2.202 ( 4.699 0.000 24.614) 25.059 2.405 ( 7.284 0.000 -0.361) 7.293 2.448 ( 8.812 0.000 2.659) 9.205 2.462 ( 5.648 0.000 2.026) 6.000 2.795 ( 1.679 0.000 -2.856) 3.312 3.113 ( -6.404 0.000 -18.131) 19.229 3.557 ( -1.558 0.000 5.424) 5.643 3.643 ( -1.921 0.000 5.480) 5.806 3.716 ( -3.004 0.000 -3.731) 4.790 3.801 ( -5.730 0.000 -4.296) 7.162 4.149 ( -3.184 0.000 6.363) 7.115 4.203 ( -1.500 0.000 -1.577) 2.176 4.320 ( 9.931 0.000 -4.022) 10.714 4.415 ( 0.159 0.000 5.144) 5.146 5.184 ( 2.340 0.000 4.242) 4.845 5.206 ( 1.492 0.000 -2.800) 3.173 5.319 ( -0.666 0.000 3.157) 3.226 5.415 ( 1.455 0.000 -3.164) 3.482 5.669 ( 0.832 0.000 3.499) 3.597 5.704 ( 1.946 0.000 -3.078) 3.642 6.019 ( 2.518 0.000 -0.082) 2.519 6.054 ( 1.182 0.000 -0.958) 1.521 6.330 ( 5.496 0.000 3.117) 6.318 6.430 ( 3.913 0.000 -5.658) 6.879 6.543 ( -3.608 0.000 -0.277) 3.618 6.817 ( -8.968 0.000 -7.657) 11.793 6.823 ( -2.947 0.000 3.596) 4.649 6.852 ( 1.300 0.000 -5.609) 5.757 7.338 ( 2.191 0.000 7.993) 8.288 7.577 ( -0.363 0.000 -6.308) 6.319 11.895 ( 4.241 0.000 4.039) 5.856 11.989 ( 3.975 0.000 -4.919) 6.325 12.349 ( -3.056 0.000 0.194) 3.062 12.384 ( -2.984 0.000 0.503) 3.026 14.050 ( -0.266 0.000 0.835) 0.876 14.068 ( -0.056 0.000 -1.256) 1.258 14.371 ( -0.212 0.000 2.866) 2.873 14.416 ( 0.432 0.000 -2.415) 2.454 17.095 ( 1.307 0.000 1.226) 1.792 17.121 ( 2.034 0.000 -1.010) 2.271 17.244 ( -0.027 0.000 -3.560) 3.560 17.254 ( 2.068 0.000 2.136) 2.973 17.330 ( -0.436 0.000 1.561) 1.621 17.454 ( 0.072 0.000 -1.170) 1.173 17.735 ( -0.179 0.000 0.047) 0.185 17.749 ( -0.744 0.000 1.053) 1.290 19.237 ( -2.929 0.000 -4.378) 5.267 19.266 ( -4.359 0.000 2.538) 5.045 19.674 ( 0.270 0.000 0.885) 0.925 19.751 ( -1.943 0.000 -0.759) 2.086 28.353 ( 6.023 0.000 -0.487) 6.043 28.405 ( 2.080 0.000 3.246) 3.855 28.791 ( -0.554 0.000 4.634) 4.667 28.925 ( -0.493 0.000 -4.978) 5.002 29.985 ( -3.000 0.000 5.634) 6.383 30.115 ( -1.382 0.000 -7.678) 7.801 30.831 ( 12.744 0.000 6.743) 14.418 31.008 ( 1.870 0.000 5.797) 6.091 31.782 ( 0.108 0.000 2.194) 2.196 31.874 ( -0.647 0.000 -0.968) 1.164 32.007 ( 0.248 0.000 6.293) 6.298 32.180 ( -1.591 0.000 0.292) 1.617 35.633 ( 3.756 0.000 -5.792) 6.903 36.286 ( -22.588 0.000 -12.443) 25.789 36.474 ( 9.833 0.000 -10.480) 14.371 36.500 ( -3.854 0.000 10.283) 10.982 ======================= Grid point 215 (103/132) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 6.646 9.193 13.940) 17.972 1.389 ( -3.135 7.874 -6.283) 10.550 1.493 ( -1.539 9.353 12.431) 15.633 1.795 ( -1.963 12.658 -14.367) 19.248 1.932 ( -5.723 8.202 15.038) 18.060 2.185 ( 5.410 4.301 -11.651) 13.547 2.359 ( 3.280 2.460 18.602) 19.048 2.443 ( -2.938 1.172 1.215) 3.388 2.558 ( 0.669 2.712 4.077) 4.942 2.644 ( 5.824 -2.034 3.808) 7.250 2.752 ( 1.825 -3.604 -4.254) 5.867 2.951 ( -5.220 0.978 -22.556) 23.173 3.544 ( 0.783 -2.344 7.430) 7.831 3.658 ( -0.195 -0.710 0.661) 0.989 3.673 ( -1.963 1.435 -0.822) 2.567 3.741 ( 0.012 4.744 -2.843) 5.530 4.120 ( -3.816 2.111 6.565) 7.882 4.185 ( -0.056 -0.708 1.251) 1.439 4.377 ( -1.225 -0.825 0.455) 1.546 4.404 ( 5.594 -5.646 -3.382) 8.638 5.122 ( -0.831 -8.266 2.616) 8.710 5.192 ( 0.564 -8.846 -4.569) 9.972 5.319 ( -1.643 3.530 2.822) 4.808 5.368 ( 1.129 2.295 -1.998) 3.245 5.718 ( -0.714 1.826 1.906) 2.734 5.752 ( 1.673 0.099 -1.235) 2.081 6.117 ( -2.190 3.702 -0.171) 4.304 6.124 ( 2.586 0.638 -1.429) 3.023 6.446 ( 0.983 0.476 3.044) 3.234 6.467 ( 1.415 2.336 -0.556) 2.788 6.499 ( -1.142 -4.283 -1.082) 4.562 6.528 ( -4.836 -2.135 -2.323) 5.774 6.850 ( -1.795 5.996 0.956) 6.331 6.918 ( 1.634 3.951 -5.542) 7.000 7.401 ( 2.455 -0.089 6.342) 6.801 7.526 ( -1.231 -1.549 -6.812) 7.093 11.936 ( -0.634 -1.124 3.804) 4.017 12.014 ( 0.582 -1.096 -4.314) 4.489 12.347 ( 0.396 1.690 0.671) 1.861 12.356 ( -0.314 1.650 -0.230) 1.695 14.045 ( -0.150 -0.288 0.991) 1.043 14.070 ( 0.292 0.033 -1.612) 1.639 14.398 ( -0.656 2.818 2.316) 3.706 14.440 ( 0.413 2.105 -2.051) 2.968 17.070 ( 1.367 -4.889 1.923) 5.429 17.100 ( -1.286 -3.192 -1.336) 3.691 17.177 ( -3.258 -1.676 4.153) 5.539 17.253 ( 2.182 -0.643 -3.786) 4.417 17.406 ( 2.453 1.533 2.605) 3.893 17.460 ( -1.820 2.168 -3.071) 4.177 17.748 ( -0.460 0.887 0.872) 1.326 17.758 ( 0.513 1.173 -0.151) 1.289 19.199 ( -2.434 0.779 1.864) 3.163 19.236 ( 1.968 1.106 -2.031) 3.036 19.689 ( -1.876 -1.262 0.422) 2.300 19.702 ( 1.703 -0.660 -0.851) 2.015 28.390 ( -1.584 -1.935 1.921) 3.154 28.434 ( 3.743 -2.938 -2.540) 5.394 28.789 ( 0.889 -1.216 4.532) 4.776 28.877 ( -1.256 -1.951 -4.567) 5.122 29.892 ( -0.466 -5.873 5.679) 8.183 30.005 ( -0.260 -7.602 -6.088) 9.743 30.703 ( 3.042 -20.565 7.410) 22.070 30.807 ( -0.165 -15.783 -3.642) 16.198 31.841 ( 0.367 4.922 2.379) 5.479 31.886 ( -0.126 6.218 -2.260) 6.617 32.486 ( -3.908 33.292 14.531) 36.535 32.795 ( 10.046 45.393 -18.748) 50.129 35.763 ( -19.453 -2.346 1.502) 19.652 35.791 ( 9.843 -1.682 -1.531) 10.102 36.373 ( -5.999 -4.778 8.998) 11.823 36.553 ( 6.450 -5.758 -9.744) 13.027 ======================= Grid point 216 (104/132) ======================= q-point: ( 0.17 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 9.321 3.270 1.790) 10.039 1.418 ( 7.851 5.112 -2.670) 9.742 1.588 ( 5.378 5.412 19.221) 20.680 1.807 ( 5.084 11.115 -12.278) 17.324 1.908 ( 2.349 15.483 11.512) 19.436 2.236 ( -1.946 2.502 -5.463) 6.316 2.328 ( -5.406 3.653 5.168) 8.324 2.373 ( -4.750 1.961 3.511) 6.224 2.519 ( -4.011 0.985 -1.923) 4.556 2.664 ( -2.153 -2.561 -1.858) 3.826 2.851 ( 6.053 0.391 -2.969) 6.754 2.897 ( 3.730 2.449 -11.363) 12.207 3.604 ( 3.482 -1.499 9.578) 10.301 3.638 ( -0.405 -1.918 -4.075) 4.522 3.708 ( 2.710 0.299 3.585) 4.504 3.772 ( 3.779 4.706 -2.324) 6.467 4.051 ( -3.557 0.282 6.127) 7.090 4.208 ( 1.693 1.394 2.990) 3.708 4.333 ( -2.792 1.410 -1.662) 3.543 4.482 ( 2.593 -6.182 -4.955) 8.336 5.089 ( -3.095 -8.478 3.898) 9.831 5.184 ( -0.904 -8.511 -4.528) 9.682 5.292 ( -0.617 2.592 1.565) 3.090 5.372 ( -0.567 1.753 -0.449) 1.896 5.693 ( -1.879 0.590 0.307) 1.993 5.754 ( -1.438 0.338 -1.053) 1.814 6.067 ( -2.442 1.609 -0.838) 3.042 6.150 ( -0.397 1.107 -1.557) 1.951 6.317 ( -8.155 2.677 3.294) 9.194 6.389 ( -2.718 6.571 -0.985) 7.179 6.575 ( 5.720 -0.798 0.331) 5.785 6.605 ( 3.658 -6.881 2.717) 8.253 6.831 ( -0.170 5.412 1.900) 5.738 6.939 ( 1.101 2.480 -4.825) 5.536 7.434 ( -0.261 -1.044 5.605) 5.708 7.497 ( -0.146 -1.238 -8.819) 8.907 11.886 ( -4.307 -1.141 3.890) 5.915 11.979 ( -3.027 0.050 -4.362) 5.310 12.358 ( 2.057 0.803 0.133) 2.213 12.408 ( 3.420 1.649 0.110) 3.799 14.045 ( -0.060 -0.441 0.959) 1.057 14.073 ( 0.360 0.052 -1.695) 1.733 14.391 ( -0.473 2.694 2.549) 3.739 14.444 ( 0.306 2.317 -1.906) 3.016 17.050 ( -2.944 -3.212 1.896) 4.751 17.084 ( -0.765 -2.509 -0.483) 2.667 17.147 ( -0.154 -2.144 4.388) 4.886 17.280 ( 0.485 -1.188 -3.238) 3.483 17.399 ( -1.887 2.097 -2.076) 3.502 17.445 ( 0.012 0.843 0.817) 1.174 17.747 ( 0.144 1.260 0.644) 1.423 17.772 ( 0.817 0.736 -0.106) 1.105 19.186 ( 1.174 1.108 2.207) 2.734 19.319 ( 5.596 0.758 -1.844) 5.941 19.655 ( -1.084 -2.798 0.280) 3.014 19.735 ( 1.309 -0.343 -0.232) 1.373 28.328 ( -4.020 -1.431 0.098) 4.268 28.459 ( -1.059 -3.059 -4.405) 5.467 28.813 ( 0.429 -1.297 4.521) 4.722 28.858 ( 0.311 -1.932 -3.894) 4.358 29.909 ( 0.963 -5.461 6.427) 8.489 30.010 ( 1.848 -7.995 -5.279) 9.757 30.693 ( -3.093 -15.529 0.959) 15.863 30.803 ( -1.273 -18.826 -2.061) 18.981 31.857 ( 0.876 4.994 1.835) 5.392 31.906 ( 2.275 6.805 -2.227) 7.513 32.418 ( -4.450 30.849 9.906) 32.705 32.861 ( -1.483 44.136 -20.329) 48.616 35.504 ( -2.855 -0.215 6.965) 7.530 36.067 ( 13.943 -3.804 6.162) 15.711 36.251 ( -8.425 -4.165 7.932) 12.299 36.637 ( 4.268 -6.320 -9.908) 12.503 ======================= Grid point 217 (105/132) ======================= q-point: ( 0.33 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 10.373 3.274 -11.606) 15.907 1.613 ( 4.094 -3.239 14.770) 15.666 1.652 ( 3.397 -0.936 12.692) 13.171 1.910 ( 6.330 7.456 -8.519) 12.971 2.047 ( 3.330 14.629 9.341) 17.674 2.116 ( -3.786 2.076 5.240) 6.790 2.235 ( -2.253 10.124 -0.845) 10.407 2.319 ( -1.822 2.189 -5.526) 6.217 2.404 ( -7.151 0.515 -2.743) 7.677 2.615 ( -2.858 3.833 -5.425) 7.231 2.937 ( 7.407 3.094 -13.572) 15.768 2.982 ( 0.805 1.832 7.906) 8.155 3.630 ( 1.105 -1.677 -1.602) 2.569 3.689 ( 3.137 0.059 9.511) 10.015 3.735 ( -0.975 -1.279 2.437) 2.920 3.850 ( 3.267 4.839 -2.443) 6.329 4.048 ( 3.039 -1.924 3.877) 5.289 4.253 ( 2.096 2.618 3.805) 5.072 4.265 ( -3.833 1.725 -1.652) 4.517 4.482 ( -1.714 -4.436 -4.982) 6.887 5.036 ( -2.718 -7.262 4.853) 9.148 5.148 ( -1.331 -8.386 -5.469) 10.100 5.306 ( 1.258 1.945 0.857) 2.470 5.355 ( -0.819 3.427 0.261) 3.533 5.655 ( -1.810 -0.828 -0.023) 1.991 5.703 ( -3.190 -0.291 -0.478) 3.239 6.035 ( -0.451 0.829 -1.515) 1.785 6.095 ( -3.897 1.764 -1.175) 4.436 6.248 ( -0.611 2.896 4.794) 5.635 6.358 ( -0.673 8.122 -2.287) 8.465 6.640 ( 0.211 -6.965 6.383) 9.450 6.682 ( 5.080 -1.417 -2.969) 6.052 6.850 ( 1.508 2.516 1.407) 3.254 6.933 ( -0.878 2.072 -3.547) 4.201 7.413 ( -3.130 -1.159 6.387) 7.206 7.492 ( 1.635 -2.493 -10.938) 11.337 11.815 ( -3.495 -0.550 4.614) 5.814 11.914 ( -2.274 0.328 -5.374) 5.844 12.406 ( 2.384 0.757 0.751) 2.611 12.458 ( 1.533 1.071 -0.489) 1.933 14.046 ( 0.014 -0.662 1.048) 1.240 14.076 ( 0.215 -0.138 -1.734) 1.752 14.390 ( -0.054 3.002 2.610) 3.979 14.444 ( 0.071 2.554 -1.937) 3.206 17.009 ( -1.554 -2.046 3.984) 4.740 17.071 ( -0.136 -2.015 -1.658) 2.613 17.158 ( 0.036 -2.619 3.970) 4.756 17.255 ( -1.581 -0.588 -3.645) 4.016 17.389 ( 0.790 0.970 -1.645) 2.067 17.429 ( -1.621 0.163 0.455) 1.692 17.753 ( 0.337 1.515 1.009) 1.851 17.783 ( 0.321 0.655 -0.420) 0.841 19.239 ( 3.327 1.257 3.174) 4.767 19.392 ( 1.764 1.098 -3.071) 3.708 19.666 ( 2.252 -4.233 0.214) 4.799 19.744 ( -0.453 -1.270 0.220) 1.366 28.267 ( -1.812 -1.042 -0.320) 2.114 28.391 ( -4.456 -2.164 -4.642) 6.789 28.820 ( -0.523 -1.397 4.529) 4.768 28.870 ( 1.421 -1.892 -3.783) 4.462 29.942 ( 1.035 -5.654 6.772) 8.883 30.047 ( 2.593 -8.529 -4.660) 10.059 30.643 ( -1.876 -13.181 0.462) 13.322 30.734 ( -4.853 -14.061 -1.324) 14.934 31.881 ( 1.000 6.101 2.546) 6.686 31.945 ( 2.049 8.650 -3.141) 9.428 32.375 ( -1.428 27.800 7.601) 28.856 32.698 ( -9.991 38.537 -11.306) 41.385 35.649 ( 14.497 -1.248 -0.905) 14.578 36.076 ( -10.890 -3.377 6.150) 12.954 36.304 ( 8.707 -5.119 10.255) 14.394 36.679 ( 2.050 -6.978 -10.869) 13.078 ======================= Grid point 218 (106/132) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -11.710 1.210 11.545) 16.488 1.694 ( 8.987 0.900 -7.071) 11.471 1.831 ( 6.136 -4.409 11.463) 13.729 1.938 ( -8.074 3.411 3.872) 9.582 2.018 ( 2.078 2.647 1.785) 3.809 2.110 ( -0.288 0.500 -0.524) 0.780 2.249 ( 4.367 10.151 -6.825) 12.988 2.274 ( -4.168 2.565 -3.518) 6.027 2.401 ( 7.387 10.777 4.389) 13.783 2.491 ( -9.389 9.719 -4.703) 14.308 2.891 ( -9.998 3.272 8.305) 13.403 3.099 ( 10.105 2.210 -11.148) 15.208 3.670 ( -3.913 -2.137 1.288) 4.641 3.697 ( 1.919 -0.505 2.967) 3.569 3.758 ( 3.857 0.518 4.361) 5.845 3.873 ( 0.050 5.216 -4.196) 6.694 4.135 ( 3.278 -2.089 3.523) 5.246 4.182 ( -3.976 -1.374 -1.016) 4.327 4.309 ( 2.931 2.857 5.329) 6.720 4.408 ( -4.735 -1.049 -3.818) 6.172 5.016 ( -0.107 -6.351 4.479) 7.772 5.131 ( 0.863 -9.495 -6.637) 11.617 5.315 ( -0.769 2.347 2.726) 3.678 5.360 ( 1.251 5.784 -1.827) 6.193 5.638 ( -0.071 -3.023 1.215) 3.259 5.655 ( -1.075 0.196 -0.329) 1.141 6.034 ( -1.489 1.099 -0.646) 1.960 6.050 ( 1.683 0.991 -1.829) 2.676 6.272 ( 1.633 3.645 3.713) 5.454 6.344 ( -0.056 6.696 -3.766) 7.683 6.642 ( -1.070 -4.317 5.717) 7.243 6.760 ( 3.580 -6.074 -5.510) 8.948 6.877 ( 0.566 1.828 0.635) 2.017 6.909 ( -0.199 3.137 -3.164) 4.459 7.349 ( -4.218 -0.783 7.743) 8.852 7.516 ( 2.575 -3.364 -10.005) 10.865 11.783 ( -0.630 -0.061 5.046) 5.085 11.888 ( 0.736 -0.009 -5.967) 6.012 12.439 ( 0.687 0.980 1.417) 1.854 12.462 ( -0.897 0.777 -0.907) 1.494 14.048 ( -0.069 -0.762 1.167) 1.395 14.075 ( 0.044 -0.310 -1.704) 1.732 14.397 ( 0.168 3.376 2.482) 4.194 14.441 ( -0.008 2.611 -2.108) 3.356 17.004 ( 0.004 -2.953 4.243) 5.169 17.071 ( 0.600 -1.555 -2.763) 3.227 17.160 ( -0.406 -1.594 4.125) 4.441 17.234 ( 0.162 -0.870 -3.653) 3.759 17.395 ( -1.813 0.031 0.284) 1.836 17.409 ( 1.502 0.459 -1.085) 1.909 17.760 ( 0.102 1.139 1.426) 1.828 17.782 ( -0.164 1.140 -0.794) 1.399 19.300 ( 1.678 1.090 3.843) 4.333 19.386 ( -0.812 1.162 -5.010) 5.207 19.701 ( -1.193 -3.018 1.964) 3.793 19.733 ( 1.205 -3.230 -1.380) 3.713 28.268 ( 1.780 -0.934 0.786) 2.158 28.302 ( -3.510 -1.408 -3.014) 4.836 28.810 ( -1.314 -1.245 4.447) 4.801 28.893 ( 1.579 -1.975 -4.134) 4.846 29.965 ( -0.157 -6.402 6.447) 9.087 30.074 ( 0.857 -8.674 -4.939) 10.018 30.585 ( -5.342 -11.959 7.443) 15.065 30.693 ( 2.197 -10.121 -3.996) 11.101 31.892 ( -0.604 6.847 3.461) 7.696 31.966 ( 0.656 10.115 -4.172) 10.962 32.384 ( -0.091 27.582 9.634) 29.216 32.539 ( -3.182 33.419 -6.371) 34.169 35.865 ( -11.582 -2.223 2.381) 12.032 35.952 ( 16.652 -3.056 -7.335) 18.451 36.434 ( 3.126 -5.600 11.115) 12.832 36.665 ( -1.853 -7.671 -12.742) 14.988 ======================= Grid point 219 (107/132) ======================= q-point: (-0.33 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -12.611 5.803 12.445) 18.644 1.701 ( -11.073 8.064 12.496) 18.541 1.835 ( -9.707 -5.391 -6.977) 13.113 1.895 ( 8.251 -2.334 -4.240) 9.566 2.009 ( 2.734 0.722 3.162) 4.242 2.194 ( 1.061 7.343 1.185) 7.514 2.236 ( -0.775 2.389 1.292) 2.824 2.285 ( -4.912 12.879 -1.884) 13.912 2.387 ( 7.466 5.598 -2.325) 9.617 2.451 ( -2.504 7.623 8.356) 11.584 2.767 ( -1.868 1.739 2.324) 3.452 3.201 ( 1.184 0.277 -11.943) 12.005 3.581 ( -3.732 -1.375 1.583) 4.281 3.701 ( -2.135 1.725 7.217) 7.722 3.836 ( -2.300 4.209 -3.407) 5.884 3.846 ( 1.282 -1.468 -3.927) 4.384 4.102 ( -1.418 -3.535 -0.887) 3.911 4.201 ( 2.296 0.203 4.788) 5.314 4.307 ( -4.562 1.983 -0.903) 5.056 4.378 ( 2.268 0.425 4.164) 4.761 5.048 ( 2.538 -6.033 4.059) 7.701 5.155 ( 2.528 -10.416 -6.859) 12.725 5.302 ( -0.580 2.122 1.080) 2.451 5.372 ( 0.188 6.123 -1.271) 6.257 5.647 ( 1.397 -2.097 1.244) 2.809 5.679 ( 2.406 -0.087 1.436) 2.803 6.027 ( 1.159 -0.034 -0.955) 1.502 6.097 ( 2.934 4.081 -0.562) 5.057 6.309 ( 2.116 -1.292 -0.390) 2.510 6.349 ( 1.277 7.990 -2.541) 8.482 6.614 ( -2.842 -1.160 3.602) 4.733 6.782 ( -0.634 -8.880 -6.995) 11.322 6.872 ( -0.015 2.448 -2.444) 3.460 6.920 ( 0.728 3.450 -1.846) 3.980 7.307 ( -1.128 -0.305 8.137) 8.221 7.544 ( 1.783 -3.009 -7.022) 7.845 11.812 ( 2.721 -0.093 4.570) 5.319 11.918 ( 3.297 -0.390 -5.415) 6.352 12.416 ( -2.906 0.566 -0.178) 2.966 12.443 ( -1.245 1.402 0.937) 2.097 14.048 ( -0.165 -0.638 1.143) 1.319 14.072 ( -0.043 -0.257 -1.572) 1.594 14.403 ( 0.035 3.465 2.187) 4.098 14.438 ( 0.101 2.439 -2.176) 3.271 17.015 ( 0.463 -4.259 2.792) 5.114 17.084 ( 1.102 -1.282 -2.195) 2.771 17.176 ( 1.722 -0.965 3.922) 4.390 17.235 ( 0.161 -1.672 -3.517) 3.898 17.364 ( -1.467 0.640 0.778) 1.780 17.442 ( 2.117 0.617 -0.930) 2.393 17.758 ( -0.472 0.884 0.926) 1.364 17.777 ( -0.377 1.522 -0.284) 1.593 19.288 ( -2.891 -0.540 0.167) 2.945 19.364 ( -1.574 2.729 -2.355) 3.934 19.662 ( -1.602 -2.862 0.502) 3.318 19.752 ( 0.071 -2.519 -0.509) 2.571 28.269 ( 0.727 -1.270 -0.598) 1.580 28.327 ( 3.715 -1.059 2.165) 4.429 28.790 ( -1.427 -1.277 4.181) 4.598 28.910 ( 0.867 -1.947 -4.419) 4.906 29.952 ( -2.282 -7.005 5.268) 9.057 30.064 ( -0.732 -8.232 -5.469) 9.910 30.530 ( -0.987 -10.188 9.593) 14.029 30.755 ( 3.812 -12.676 -1.233) 13.294 31.872 ( -1.883 6.957 2.902) 7.769 31.951 ( -1.399 8.579 -3.188) 9.259 32.401 ( 1.386 31.446 8.835) 32.693 32.564 ( 4.536 32.779 -1.679) 33.134 35.676 ( -7.265 -1.086 -2.781) 7.855 36.224 ( 13.258 -4.400 -9.555) 16.924 36.472 ( -0.942 -5.549 10.363) 11.792 36.539 ( -9.653 -7.741 -14.047) 18.720 ======================= Grid point 220 (108/132) ======================= q-point: (-0.17 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -5.067 10.614 14.072) 18.340 1.511 ( -10.019 10.057 13.338) 19.479 1.618 ( -10.097 0.644 -7.594) 12.651 1.926 ( -7.013 8.644 -15.255) 18.884 2.024 ( -4.081 2.718 13.334) 14.207 2.110 ( 3.019 7.786 -7.886) 11.486 2.245 ( 2.096 5.194 17.144) 18.036 2.416 ( 9.987 1.930 3.226) 10.671 2.449 ( 2.174 1.621 4.753) 5.472 2.524 ( 5.765 3.953 -0.641) 7.020 2.764 ( -0.246 -2.554 -2.397) 3.511 3.110 ( -6.432 -0.211 -17.009) 18.186 3.543 ( -1.417 -1.821 5.091) 5.590 3.669 ( -1.994 2.229 5.863) 6.581 3.762 ( -4.534 1.486 -5.674) 7.413 3.783 ( -4.373 1.077 -2.290) 5.052 4.129 ( 1.899 -1.431 0.423) 2.415 4.225 ( -3.640 1.629 1.679) 4.327 4.279 ( 5.439 -1.901 1.934) 6.077 4.403 ( -0.325 -1.245 2.487) 2.800 5.106 ( 2.055 -6.877 3.208) 7.862 5.183 ( 1.439 -9.654 -5.807) 11.357 5.310 ( 1.355 1.444 0.184) 1.989 5.366 ( -0.522 5.648 -0.313) 5.681 5.693 ( 2.741 0.486 1.180) 3.023 5.722 ( 1.452 -0.283 1.283) 1.958 6.068 ( 3.019 -0.149 -1.186) 3.247 6.138 ( 0.626 5.704 0.524) 5.762 6.359 ( 3.824 -2.232 -2.091) 4.897 6.398 ( 4.256 3.783 -0.502) 5.716 6.551 ( -4.063 0.521 1.191) 4.266 6.700 ( -6.820 -7.662 -5.094) 11.453 6.872 ( 0.061 3.314 -2.509) 4.157 6.915 ( -0.438 4.885 -3.529) 6.043 7.337 ( 2.399 0.121 7.041) 7.440 7.552 ( 0.000 -2.316 -5.521) 5.987 11.889 ( 3.921 -0.587 3.792) 5.486 11.980 ( 3.506 -0.899 -4.493) 5.770 12.359 ( -2.456 1.012 0.080) 2.657 12.404 ( -2.934 1.635 0.618) 3.415 14.046 ( -0.165 -0.382 1.062) 1.140 14.069 ( 0.051 -0.103 -1.524) 1.528 14.404 ( -0.347 3.226 2.081) 3.855 14.437 ( 0.267 2.161 -2.152) 3.061 17.036 ( 1.376 -4.700 2.110) 5.332 17.104 ( 1.029 -1.921 -1.328) 2.552 17.213 ( -0.413 -3.088 3.416) 4.624 17.231 ( 0.983 -1.005 -3.935) 4.179 17.356 ( 1.058 2.256 2.005) 3.198 17.474 ( 0.965 1.288 -1.796) 2.412 17.752 ( -0.205 1.046 0.463) 1.162 17.764 ( -0.913 1.354 0.262) 1.654 19.229 ( -2.386 -0.135 -1.205) 2.677 19.294 ( -4.986 1.940 -0.313) 5.359 19.663 ( 1.512 -1.241 -0.684) 2.072 19.733 ( -1.837 -1.706 0.021) 2.507 28.328 ( 4.952 -2.341 0.310) 5.486 28.394 ( 2.266 -1.173 2.281) 3.423 28.777 ( -0.527 -1.353 4.190) 4.435 28.905 ( -0.535 -1.914 -4.658) 5.064 29.911 ( -2.416 -6.591 4.967) 8.600 30.033 ( -1.259 -7.707 -6.162) 9.948 30.591 ( 5.015 -14.962 9.833) 18.593 30.807 ( 1.403 -14.834 -0.750) 14.919 31.844 ( -1.198 6.207 2.453) 6.780 31.912 ( -1.866 6.493 -2.165) 7.094 32.472 ( 2.812 34.463 12.007) 36.602 32.654 ( 5.948 38.550 -6.234) 39.501 35.625 ( 3.520 -0.759 -5.519) 6.590 36.222 ( -20.921 -5.999 -10.426) 24.133 36.422 ( 9.366 -5.138 -9.909) 14.570 36.447 ( -3.613 -5.205 9.646) 11.541 ======================= Grid point 221 (109/132) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.396 11.188 8.766) 14.218 1.534 ( 0.423 6.542 -6.035) 8.911 1.636 ( -1.878 5.722 16.470) 17.536 1.968 ( -0.076 4.415 -15.839) 16.443 2.161 ( -0.360 10.351 11.946) 15.811 2.332 ( 4.734 5.798 -3.978) 8.477 2.421 ( 1.083 1.369 5.041) 5.335 2.492 ( -3.076 5.930 -2.640) 7.183 2.579 ( -1.506 -3.475 2.614) 4.601 2.658 ( 2.605 -4.525 -4.649) 6.991 2.726 ( 3.199 14.807 11.547) 19.047 3.026 ( -2.185 8.206 -16.598) 18.644 3.452 ( -0.554 -5.869 8.191) 10.092 3.602 ( -1.118 -3.206 -6.652) 7.468 3.749 ( -1.547 3.576 5.842) 7.022 3.842 ( 0.069 4.330 -3.267) 5.425 4.160 ( -4.843 2.454 2.590) 6.015 4.176 ( 3.050 -0.580 1.167) 3.316 4.337 ( 2.702 0.351 2.088) 3.433 4.392 ( 0.149 1.686 -2.690) 3.178 4.964 ( -0.781 -7.011 -1.223) 7.160 4.972 ( 0.435 -10.485 -1.769) 10.642 5.433 ( 0.164 6.481 3.425) 7.332 5.479 ( -1.819 6.280 -1.138) 6.636 5.727 ( 0.741 -0.511 1.555) 1.797 5.745 ( 0.140 0.039 0.085) 0.169 6.051 ( 3.036 -6.508 -0.314) 7.188 6.084 ( -3.306 -5.492 -3.633) 7.368 6.338 ( 2.970 -8.840 2.202) 9.582 6.376 ( -4.350 -6.615 -1.452) 8.049 6.529 ( 2.564 5.114 5.271) 7.779 6.628 ( -1.811 4.738 -4.344) 6.678 6.972 ( -0.490 5.660 -0.563) 5.709 7.018 ( 0.422 4.807 -4.712) 6.745 7.410 ( 1.783 1.159 3.610) 4.190 7.495 ( -0.518 -1.288 -5.157) 5.340 11.910 ( -1.111 -1.307 3.923) 4.281 11.993 ( 1.340 -0.895 -4.677) 4.947 12.382 ( 0.057 1.691 0.912) 1.923 12.391 ( -0.162 1.763 -0.043) 1.771 14.035 ( -0.173 -0.807 1.085) 1.363 14.061 ( 0.343 -0.962 -1.658) 1.947 14.473 ( -0.714 4.376 1.476) 4.673 14.504 ( 0.373 4.253 -1.730) 4.607 16.979 ( 1.267 -3.694 3.507) 5.249 17.036 ( -1.205 -2.819 -2.451) 3.925 17.145 ( -2.237 -1.426 4.959) 5.624 17.240 ( 2.081 -0.572 -4.841) 5.300 17.440 ( 1.520 1.784 2.634) 3.525 17.495 ( -1.308 1.404 -3.006) 3.566 17.760 ( -0.317 0.110 1.151) 1.198 17.775 ( 0.247 0.402 -0.315) 0.568 19.220 ( -1.393 1.281 2.212) 2.912 19.265 ( 0.954 1.631 -2.416) 3.068 19.650 ( -2.338 -2.372 1.177) 3.533 19.683 ( 2.169 -1.462 -2.357) 3.521 28.331 ( 1.185 -3.909 1.549) 4.369 28.361 ( -0.006 -3.982 -1.484) 4.250 28.762 ( 1.228 -1.386 3.380) 3.854 28.830 ( -1.370 -2.513 -3.710) 4.685 29.763 ( 0.212 -6.210 3.751) 7.258 29.836 ( -0.549 -8.086 -3.625) 8.879 30.400 ( 0.674 -10.503 8.389) 13.459 30.547 ( 0.223 -10.476 -6.915) 12.554 31.981 ( -0.338 8.332 3.949) 9.226 32.057 ( 0.279 9.993 -3.904) 10.732 33.172 ( -4.931 33.631 22.296) 40.650 33.639 ( 11.041 37.703 -27.127) 47.742 35.706 ( -13.739 -3.149 2.178) 14.263 35.746 ( 6.427 -2.709 -2.016) 7.260 36.242 ( -5.137 -8.087 7.706) 12.295 36.397 ( 5.539 -9.587 -8.418) 13.908 ======================= Grid point 222 (110/132) ======================= q-point: ( 0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 4.389 5.284 8.976) 11.303 1.563 ( 3.212 8.178 -7.765) 11.726 1.670 ( 0.892 4.419 17.224) 17.804 1.963 ( 1.996 4.009 -13.446) 14.173 2.185 ( 0.413 7.843 8.153) 11.321 2.360 ( -5.100 5.338 -2.047) 7.662 2.385 ( 1.765 3.732 -4.229) 5.911 2.473 ( -2.808 4.421 1.392) 5.419 2.547 ( -0.284 1.662 3.389) 3.785 2.642 ( 0.282 3.294 -6.040) 6.885 2.896 ( 9.244 6.062 7.060) 13.117 3.007 ( 2.973 10.362 -12.768) 16.711 3.504 ( 3.856 -6.656 9.905) 12.541 3.595 ( 0.985 -3.217 -4.750) 5.821 3.729 ( -1.421 0.983 5.720) 5.976 3.867 ( 2.720 4.219 -1.989) 5.399 4.097 ( -2.219 4.648 2.241) 5.617 4.234 ( 2.687 0.062 3.107) 4.108 4.367 ( -1.371 1.353 -2.588) 3.227 4.397 ( 2.235 -0.186 -1.636) 2.776 4.941 ( -1.278 -5.096 -0.439) 5.272 4.974 ( -0.018 -10.960 -1.857) 11.117 5.405 ( -2.233 6.604 2.494) 7.404 5.461 ( -0.720 5.173 1.342) 5.392 5.690 ( -2.755 -0.452 -1.187) 3.034 5.729 ( -3.440 -1.794 1.684) 4.230 6.012 ( -3.021 -5.325 -3.310) 6.960 6.080 ( -0.746 -5.415 -0.328) 5.476 6.295 ( -2.574 -6.036 0.446) 6.577 6.411 ( 2.819 -8.587 3.676) 9.756 6.574 ( 0.677 7.569 -0.528) 7.618 6.626 ( 3.121 3.507 -1.374) 4.891 6.952 ( -1.470 5.859 0.577) 6.068 7.009 ( -0.448 4.028 -3.552) 5.389 7.421 ( -0.886 0.013 1.788) 1.995 7.474 ( -0.829 -0.782 -5.205) 5.328 11.862 ( -3.866 -1.230 3.790) 5.552 11.978 ( -2.075 -0.178 -4.807) 5.238 12.383 ( 1.544 1.548 0.396) 2.222 12.440 ( 2.909 1.360 0.416) 3.238 14.031 ( -0.341 -0.935 1.031) 1.433 14.063 ( 0.180 -1.126 -1.800) 2.131 14.468 ( -0.079 4.756 1.730) 5.062 14.509 ( 0.452 4.151 -1.346) 4.387 16.988 ( -1.101 -2.613 2.370) 3.695 17.025 ( 0.446 -2.929 -1.380) 3.268 17.110 ( -1.842 -1.576 4.867) 5.437 17.260 ( 0.471 -0.760 -4.588) 4.675 17.439 ( -1.933 1.868 -1.026) 2.877 17.464 ( -0.880 1.050 0.451) 1.442 17.764 ( 0.456 0.168 0.714) 0.864 17.782 ( 0.428 0.216 0.072) 0.485 19.216 ( 1.345 1.788 1.935) 2.958 19.337 ( 5.614 0.919 -1.434) 5.867 19.599 ( -2.791 -2.620 0.845) 3.921 19.709 ( 0.689 -2.099 -1.432) 2.633 28.287 ( -3.360 -2.627 -0.789) 4.337 28.377 ( -0.351 -4.851 -1.409) 5.063 28.779 ( -0.165 -1.959 1.760) 2.638 28.815 ( 0.632 -2.037 -1.694) 2.723 29.787 ( 1.344 -6.133 4.136) 7.519 29.835 ( 1.188 -8.148 -3.265) 8.857 30.410 ( -0.946 -11.221 6.680) 13.093 30.535 ( -0.198 -9.781 -7.031) 12.048 32.001 ( 1.473 8.558 4.391) 9.731 32.089 ( 3.585 10.525 -4.390) 11.954 33.085 ( -6.919 33.771 17.339) 38.587 33.681 ( -2.990 36.566 -28.710) 46.587 35.501 ( -2.570 -0.046 6.166) 6.681 35.967 ( 11.444 -5.997 4.416) 13.654 36.137 ( -7.180 -7.000 6.667) 12.042 36.466 ( 3.320 -10.474 -8.398) 13.829 ======================= Grid point 223 (111/132) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 6.515 -1.021 11.008) 12.832 1.621 ( 3.652 7.043 -3.316) 8.598 1.683 ( -1.300 3.356 8.001) 8.774 1.972 ( 0.390 0.148 -9.478) 9.487 2.170 ( -3.036 4.190 6.177) 8.058 2.262 ( -5.113 5.378 0.279) 7.427 2.381 ( -1.352 2.336 -3.846) 4.698 2.431 ( -1.174 3.771 -4.472) 5.966 2.556 ( 2.399 16.093 1.885) 16.380 2.680 ( 3.297 2.087 -5.330) 6.606 3.054 ( 5.240 7.595 4.163) 10.123 3.075 ( 4.966 9.969 -5.276) 12.324 3.574 ( 1.841 -4.477 0.712) 4.893 3.639 ( 3.360 -4.374 9.110) 10.649 3.714 ( -0.957 -0.425 2.638) 2.838 3.924 ( 3.093 2.326 -4.172) 5.690 4.084 ( 0.697 4.863 2.553) 5.536 4.282 ( 0.010 1.064 3.990) 4.130 4.311 ( -1.902 1.988 -2.549) 3.751 4.429 ( 0.997 -0.050 -2.341) 2.544 4.920 ( -0.845 -3.366 -0.134) 3.473 4.962 ( -0.764 -9.298 -2.798) 9.740 5.390 ( -0.095 4.820 4.199) 6.393 5.458 ( 0.937 5.426 -0.696) 5.551 5.628 ( -5.149 -1.385 2.110) 5.734 5.648 ( -2.525 -4.284 -2.035) 5.373 5.968 ( -0.935 -5.496 -2.664) 6.179 6.025 ( -3.819 -4.946 -1.647) 6.463 6.293 ( 1.934 -2.647 2.117) 3.902 6.424 ( -2.329 -8.070 3.805) 9.221 6.611 ( 3.912 8.459 -3.121) 9.829 6.683 ( 1.637 2.000 -0.358) 2.609 6.926 ( -1.036 4.902 1.895) 5.357 6.992 ( -0.636 3.441 -2.928) 4.563 7.399 ( -2.014 0.143 2.485) 3.202 7.444 ( -0.687 -1.867 -6.079) 6.397 11.802 ( -2.830 -0.764 4.477) 5.351 11.920 ( -2.343 0.217 -5.588) 6.063 12.428 ( 2.494 1.361 0.685) 2.922 12.481 ( 1.115 1.093 0.021) 1.561 14.027 ( -0.266 -1.251 1.167) 1.731 14.061 ( -0.013 -1.382 -1.942) 2.384 14.475 ( 0.445 5.158 1.650) 5.434 14.514 ( 0.214 4.310 -1.169) 4.471 16.967 ( -1.498 -1.849 4.065) 4.711 17.027 ( 0.374 -2.178 -3.089) 3.798 17.104 ( 0.098 -2.481 5.073) 5.648 17.240 ( -1.264 -0.690 -4.581) 4.802 17.415 ( -0.119 1.496 -1.454) 2.090 17.439 ( -1.785 0.896 0.843) 2.168 17.774 ( 0.359 0.266 0.658) 0.795 17.788 ( 0.212 -0.203 0.116) 0.315 19.271 ( 3.603 1.888 2.430) 4.738 19.421 ( 1.910 1.684 -2.188) 3.357 19.574 ( 1.220 -4.636 0.686) 4.843 19.699 ( -1.658 -2.989 -0.698) 3.489 28.237 ( -1.345 -1.963 -0.615) 2.458 28.333 ( -3.414 -3.518 -2.417) 5.466 28.781 ( 0.055 -2.320 2.292) 3.262 28.827 ( 0.759 -2.101 -1.879) 2.919 29.818 ( 0.843 -6.195 4.200) 7.532 29.864 ( 2.081 -8.548 -2.673) 9.195 30.396 ( -1.494 -10.288 5.865) 11.936 30.513 ( -0.614 -8.780 -6.716) 11.071 32.043 ( 1.675 9.331 5.679) 11.051 32.159 ( 4.189 11.722 -6.026) 13.830 33.004 ( -3.868 32.887 14.024) 35.961 33.467 ( -11.998 36.694 -19.039) 43.046 35.617 ( 11.872 -1.788 -0.119) 12.006 35.985 ( -9.219 -5.536 5.052) 11.881 36.168 ( 7.529 -8.276 7.781) 13.628 36.492 ( 0.962 -11.389 -8.783) 14.415 ======================= Grid point 224 (112/132) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -6.583 5.289 10.837) 13.739 1.733 ( 5.387 -0.539 -0.828) 5.477 1.742 ( 5.765 0.295 4.552) 7.351 1.914 ( -5.237 -1.582 -5.378) 7.671 2.089 ( -5.355 4.306 7.602) 10.247 2.227 ( 1.360 5.045 -1.387) 5.406 2.346 ( -1.588 4.082 -0.104) 4.381 2.419 ( 2.394 5.245 -8.722) 10.455 2.617 ( 1.499 9.912 3.231) 10.533 2.694 ( -1.437 8.899 -5.199) 10.406 3.030 ( -7.281 10.986 8.786) 15.839 3.190 ( 6.284 7.578 -6.889) 12.016 3.613 ( -2.404 -4.082 2.547) 5.378 3.666 ( 3.731 -2.467 -0.867) 4.556 3.748 ( 1.778 -0.901 8.651) 8.878 3.941 ( 0.019 0.634 -8.537) 8.560 4.137 ( 3.529 2.712 4.636) 6.427 4.200 ( -5.360 4.020 -0.913) 6.762 4.342 ( 1.786 -0.318 4.102) 4.485 4.417 ( -1.811 2.062 -3.004) 4.069 4.915 ( 0.547 -3.085 -0.192) 3.138 4.946 ( -0.066 -7.857 -3.270) 8.510 5.392 ( -1.066 4.222 5.740) 7.205 5.499 ( 3.045 6.745 -4.056) 8.439 5.544 ( -2.885 -5.594 3.895) 7.401 5.633 ( 1.474 -2.025 -3.566) 4.357 5.947 ( -1.622 -6.860 -0.095) 7.049 5.991 ( 2.047 -4.737 -4.236) 6.676 6.339 ( -0.919 -1.242 4.478) 4.737 6.389 ( 1.968 -5.966 -0.884) 6.344 6.659 ( -3.321 3.342 0.314) 4.722 6.683 ( 2.756 3.977 -2.126) 5.285 6.930 ( 0.776 3.779 1.452) 4.121 6.982 ( 0.462 3.746 -3.647) 5.248 7.347 ( -3.347 0.972 4.641) 5.804 7.449 ( 2.037 -2.761 -6.073) 6.976 11.780 ( -0.272 -0.255 5.118) 5.131 11.887 ( 0.247 -0.084 -6.102) 6.108 12.464 ( 0.656 1.420 1.222) 1.985 12.481 ( -0.781 1.030 -0.469) 1.375 14.026 ( -0.102 -1.447 1.352) 1.983 14.058 ( 0.047 -1.476 -1.950) 2.446 14.487 ( 0.422 5.268 1.332) 5.451 14.513 ( -0.088 4.497 -1.338) 4.692 16.948 ( -1.353 -2.372 5.192) 5.867 17.036 ( 1.171 -1.738 -3.980) 4.498 17.121 ( 0.657 -2.090 4.956) 5.419 17.212 ( -0.615 -1.066 -4.596) 4.758 17.408 ( -1.455 1.166 0.651) 1.975 17.425 ( 1.329 1.144 -1.105) 2.073 17.777 ( -0.256 0.244 1.123) 1.178 17.792 ( 0.185 -0.393 -0.344) 0.554 19.331 ( 0.524 1.895 3.771) 4.253 19.413 ( 0.246 1.425 -4.754) 4.969 19.626 ( 0.460 -4.129 1.599) 4.451 19.655 ( -0.456 -4.274 -1.314) 4.495 28.241 ( 1.758 -1.715 0.465) 2.500 28.264 ( -2.889 -2.388 -1.893) 4.199 28.778 ( -1.031 -1.724 3.286) 3.851 28.842 ( 1.331 -2.853 -3.210) 4.496 29.827 ( -0.735 -6.663 3.927) 7.769 29.891 ( 0.945 -8.535 -2.496) 8.943 30.375 ( -1.930 -8.739 6.720) 11.191 30.502 ( 0.995 -8.534 -6.476) 10.759 32.067 ( -0.594 9.841 6.461) 11.787 32.201 ( 0.959 12.415 -7.495) 14.534 32.999 ( 0.410 32.062 15.230) 35.498 33.267 ( -4.118 37.145 -12.408) 39.379 35.807 ( -9.716 -3.511 1.703) 10.470 35.871 ( 14.110 -4.829 -5.580) 15.923 36.283 ( 3.088 -9.232 8.889) 13.182 36.463 ( -2.713 -12.125 -9.605) 15.704 ======================= Grid point 225 (113/132) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -6.294 11.314 9.986) 16.351 1.727 ( -6.380 -3.691 3.310) 8.079 1.789 ( -5.962 -0.245 0.843) 6.026 1.879 ( 7.941 1.498 -3.537) 8.821 2.069 ( 1.543 4.696 8.042) 9.439 2.259 ( 0.670 2.252 -0.602) 2.426 2.351 ( 3.255 4.923 0.967) 5.981 2.477 ( 3.381 2.525 -4.265) 5.999 2.590 ( -4.545 6.791 3.184) 8.770 2.622 ( -3.700 14.503 -5.180) 15.839 2.889 ( -7.656 11.993 7.689) 16.173 3.232 ( -1.402 3.775 -7.398) 8.423 3.537 ( -3.815 -2.964 1.260) 4.993 3.723 ( -1.364 0.901 7.007) 7.195 3.778 ( 1.482 -4.909 -5.179) 7.288 3.915 ( -1.035 2.655 -6.118) 6.749 4.106 ( -2.926 3.590 1.030) 4.744 4.218 ( 3.181 2.064 5.398) 6.597 4.356 ( -3.822 2.731 -2.310) 5.234 4.374 ( 0.705 -0.985 3.013) 3.248 4.940 ( 1.997 -4.083 -0.657) 4.592 4.951 ( 1.015 -8.189 -3.220) 8.858 5.377 ( -0.586 4.545 3.189) 5.583 5.518 ( 0.332 2.975 -4.348) 5.279 5.562 ( 3.078 -1.643 4.453) 5.657 5.688 ( 3.834 0.885 -1.503) 4.212 5.943 ( 1.496 -7.238 -1.173) 7.483 6.051 ( 4.319 -4.842 -3.417) 7.333 6.304 ( -1.478 -4.828 1.128) 5.174 6.458 ( 2.889 -3.031 1.096) 4.328 6.566 ( -5.649 0.550 0.685) 5.717 6.707 ( -0.118 3.673 -2.770) 4.602 6.951 ( 1.434 5.334 -0.776) 5.578 6.994 ( 1.078 3.482 -3.440) 5.012 7.317 ( -0.253 1.629 5.074) 5.335 7.483 ( 2.090 -2.643 -4.115) 5.318 11.810 ( 2.448 -0.102 4.603) 5.214 11.908 ( 2.765 -0.644 -5.311) 6.022 12.434 ( -2.794 1.168 0.060) 3.028 12.473 ( -0.970 1.488 0.780) 1.940 14.028 ( 0.093 -1.326 1.309) 1.865 14.057 ( 0.180 -1.323 -1.718) 2.175 14.492 ( -0.108 4.960 1.027) 5.066 14.507 ( -0.173 4.564 -1.656) 4.859 16.938 ( -0.462 -3.096 4.581) 5.548 17.052 ( 1.023 -1.670 -3.048) 3.623 17.147 ( 1.038 -1.725 4.995) 5.385 17.200 ( 0.257 -1.385 -4.927) 5.125 17.391 ( -0.378 1.733 0.924) 2.000 17.459 ( 2.302 1.077 -1.140) 2.785 17.771 ( -0.428 0.215 0.971) 1.083 17.791 ( -0.282 -0.289 -0.205) 0.453 19.293 ( -3.388 0.905 0.850) 3.609 19.416 ( -1.841 2.388 -2.221) 3.745 19.589 ( -0.197 -4.114 -0.914) 4.219 19.690 ( 1.267 -3.481 0.189) 3.709 28.233 ( 0.174 -2.217 -0.286) 2.242 28.297 ( 3.488 -1.980 1.304) 4.218 28.758 ( -1.427 -1.714 2.914) 3.669 28.860 ( 0.889 -2.864 -3.402) 4.535 29.804 ( -2.149 -6.907 3.430) 8.006 29.888 ( -0.652 -8.290 -2.731) 8.753 30.356 ( -1.028 -7.226 7.216) 10.264 30.524 ( 2.010 -9.976 -5.303) 11.475 32.043 ( -2.724 9.596 5.532) 11.406 32.165 ( -3.041 11.643 -6.471) 13.663 33.063 ( 3.300 32.950 17.197) 37.313 33.288 ( 7.147 37.261 -10.059) 39.251 35.648 ( -5.978 -1.555 -2.610) 6.705 36.105 ( 11.437 -7.195 -7.718) 15.561 36.322 ( -0.434 -9.177 8.696) 12.651 36.339 ( -8.868 -11.713 -9.918) 17.726 ======================= Grid point 226 (114/132) ======================= q-point: (-0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.499 14.695 8.824) 17.322 1.597 ( -6.110 0.886 0.411) 6.187 1.686 ( -5.241 3.719 8.206) 10.423 1.990 ( 2.893 1.005 -14.185) 14.512 2.123 ( 2.310 5.747 13.738) 15.070 2.260 ( 0.886 3.521 1.056) 3.781 2.443 ( -3.825 7.765 1.800) 8.841 2.465 ( 6.568 1.655 0.959) 6.841 2.555 ( -0.068 9.094 2.031) 9.318 2.597 ( 2.036 2.073 -3.934) 4.891 2.775 ( -5.810 9.555 6.130) 12.753 3.133 ( -5.617 4.108 -12.218) 14.061 3.481 ( -2.945 -4.022 4.618) 6.795 3.664 ( -4.018 -2.535 -2.460) 5.350 3.768 ( -1.282 1.601 0.797) 2.200 3.874 ( -2.187 4.385 -3.946) 6.291 4.115 ( 2.857 0.421 0.441) 2.922 4.256 ( -4.180 1.465 2.906) 5.298 4.287 ( 1.059 2.298 2.757) 3.742 4.387 ( 0.487 0.063 -0.214) 0.535 4.963 ( 0.722 -9.846 -2.542) 10.195 4.970 ( 0.860 -5.911 -1.422) 6.140 5.398 ( 2.038 5.659 2.162) 6.391 5.511 ( -0.660 5.922 -2.710) 6.547 5.649 ( 5.015 -2.445 2.799) 6.242 5.741 ( 1.395 1.833 0.730) 2.417 5.990 ( 3.255 -6.744 -1.381) 7.615 6.114 ( 1.736 -4.920 -3.357) 6.204 6.295 ( 0.548 -8.105 0.436) 8.135 6.463 ( -3.925 -8.320 -1.904) 9.395 6.494 ( -0.084 6.618 5.764) 8.776 6.677 ( -2.085 3.476 -3.967) 5.671 6.972 ( 0.683 5.958 -1.631) 6.215 7.008 ( 1.206 4.029 -3.981) 5.791 7.354 ( 2.739 1.764 4.178) 5.299 7.503 ( 0.667 -2.096 -3.526) 4.156 11.877 ( 3.202 -0.565 3.754) 4.966 11.959 ( 2.973 -1.099 -4.307) 5.347 12.385 ( -1.804 1.482 0.212) 2.344 12.438 ( -2.715 1.640 0.622) 3.233 14.033 ( 0.124 -1.007 1.172) 1.550 14.058 ( 0.256 -1.062 -1.565) 1.908 14.486 ( -0.742 4.408 1.099) 4.603 14.503 ( 0.073 4.541 -1.883) 4.916 16.949 ( 0.866 -3.505 3.892) 5.309 17.057 ( -0.176 -2.384 -2.577) 3.515 17.162 ( -0.486 -1.921 4.926) 5.309 17.212 ( 1.699 -0.804 -4.788) 5.143 17.402 ( 1.410 2.267 1.842) 3.243 17.496 ( 1.516 1.112 -1.998) 2.743 17.766 ( -0.319 0.228 0.843) 0.930 17.780 ( -0.724 0.015 -0.074) 0.728 19.238 ( -1.938 1.011 0.216) 2.197 19.329 ( -5.438 1.512 -1.137) 5.758 19.626 ( 3.144 -2.301 -1.947) 4.356 19.691 ( -1.096 -2.428 0.378) 2.691 28.269 ( 3.213 -3.341 1.040) 4.751 28.356 ( 1.901 -2.623 0.723) 3.319 28.745 ( -0.301 -1.704 3.024) 3.485 28.858 ( -0.519 -2.633 -3.642) 4.524 29.771 ( -1.645 -6.560 3.361) 7.552 29.862 ( -1.320 -8.196 -3.323) 8.942 30.367 ( 0.701 -8.088 8.176) 11.522 30.546 ( 1.132 -10.875 -5.521) 12.249 32.000 ( -2.327 8.869 4.335) 10.143 32.092 ( -2.899 10.429 -4.600) 11.761 33.162 ( 1.962 33.270 21.760) 39.802 33.448 ( 11.524 38.250 -16.598) 43.260 35.606 ( 2.898 -1.002 -4.750) 5.654 36.072 ( -16.767 -8.571 -6.663) 19.975 36.283 ( 8.117 -8.545 -8.551) 14.561 36.305 ( -2.954 -8.810 8.271) 12.440 ======================= Grid point 227 (115/132) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -2.247 2.639 7.240) 8.027 1.634 ( 1.720 3.041 -5.534) 6.544 1.793 ( -0.546 10.115 11.271) 15.154 2.038 ( 1.118 3.560 -12.410) 12.959 2.295 ( 0.348 4.492 11.242) 12.111 2.359 ( 3.970 -0.998 1.965) 4.541 2.405 ( -0.983 -1.821 0.537) 2.138 2.501 ( -2.648 -4.214 2.596) 5.613 2.533 ( 2.626 -3.997 -5.283) 7.126 2.604 ( 0.095 0.059 -9.333) 9.334 3.117 ( 0.728 20.556 9.555) 22.680 3.273 ( 0.640 11.341 -2.449) 11.620 3.369 ( -2.457 0.915 2.515) 3.633 3.536 ( -1.218 -3.267 -10.531) 11.093 3.788 ( -3.492 0.491 6.871) 7.723 3.906 ( 1.606 2.397 -4.489) 5.337 4.159 ( 1.383 -0.712 4.873) 5.115 4.238 ( -2.038 4.776 -2.212) 5.644 4.370 ( 1.250 1.441 1.660) 2.528 4.428 ( 1.614 1.396 -3.171) 3.822 4.809 ( -0.864 -4.082 3.320) 5.332 4.890 ( 0.019 -1.106 -5.010) 5.130 5.502 ( 0.638 -1.619 2.700) 3.212 5.526 ( -1.277 -2.657 0.176) 2.953 5.737 ( 2.642 2.022 3.066) 4.524 5.778 ( -3.294 3.305 -0.874) 4.747 5.924 ( 3.388 -4.742 0.041) 5.828 5.973 ( -2.405 -4.646 -4.991) 7.230 6.190 ( -0.800 -4.623 4.083) 6.220 6.269 ( -0.191 -3.630 -3.711) 5.195 6.605 ( 1.469 2.279 5.024) 5.709 6.677 ( -0.804 0.743 -2.377) 2.617 7.053 ( -0.398 2.223 -0.818) 2.402 7.079 ( 0.308 1.492 -3.200) 3.544 7.437 ( 1.050 1.242 1.524) 2.229 7.478 ( -0.184 -0.599 -2.679) 2.752 11.888 ( -1.483 -0.942 4.345) 4.686 11.980 ( 1.839 -0.427 -5.273) 5.601 12.410 ( 0.694 1.079 1.185) 1.747 12.421 ( -0.958 1.172 0.051) 1.515 14.015 ( -0.067 -1.085 0.804) 1.352 14.035 ( 0.229 -1.455 -1.309) 1.971 14.559 ( -0.335 4.103 1.811) 4.498 14.597 ( 0.061 4.702 -2.188) 5.186 16.929 ( 1.210 -1.539 3.863) 4.331 16.995 ( -1.027 -1.379 -2.843) 3.322 17.123 ( -2.106 -0.822 5.552) 5.995 17.234 ( 2.121 -0.093 -5.814) 6.189 17.473 ( 1.090 1.455 2.137) 2.806 17.518 ( -1.161 0.918 -2.477) 2.886 17.748 ( -0.222 -1.131 1.769) 2.111 17.775 ( 0.323 -0.294 -1.049) 1.137 19.246 ( -0.695 1.279 2.496) 2.889 19.297 ( 0.352 1.510 -2.736) 3.144 19.604 ( -1.487 -2.130 1.708) 3.109 19.646 ( 1.403 -2.041 -2.772) 3.717 28.249 ( 2.117 -3.946 1.737) 4.803 28.284 ( -1.798 -3.680 -1.934) 4.530 28.739 ( 1.561 -0.849 2.233) 2.854 28.786 ( -1.424 -1.842 -2.635) 3.516 29.663 ( 0.076 -3.816 2.283) 4.448 29.711 ( -0.178 -4.455 -2.548) 5.135 30.248 ( -0.592 -5.431 6.446) 8.450 30.380 ( 0.906 -6.601 -7.211) 9.818 32.144 ( -0.626 7.593 5.430) 9.356 32.249 ( 0.497 8.797 -5.444) 10.357 33.766 ( -4.167 25.647 25.197) 36.194 34.266 ( 8.559 25.764 -27.014) 38.299 35.643 ( -8.665 -3.135 2.511) 9.551 35.691 ( 3.810 -2.770 -2.337) 5.258 36.071 ( -3.995 -8.601 6.001) 11.222 36.193 ( 4.343 -10.438 -6.724) 13.154 ======================= Grid point 228 (116/132) ======================= q-point: ( 0.17 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.722 2.777 7.767) 8.280 1.673 ( 3.044 1.778 -5.768) 6.760 1.805 ( -0.592 9.074 10.905) 14.199 2.031 ( 0.194 4.071 -10.992) 11.723 2.281 ( -1.502 3.547 2.447) 4.563 2.375 ( -1.169 -0.709 7.069) 7.200 2.437 ( -3.402 -1.182 0.202) 3.607 2.492 ( 1.461 0.812 -6.832) 7.033 2.528 ( 4.691 -2.812 -5.064) 7.454 2.679 ( 5.929 -2.744 -3.816) 7.565 3.171 ( 3.236 17.699 8.710) 19.990 3.284 ( 1.275 14.880 -7.540) 16.730 3.389 ( 3.147 -3.938 10.377) 11.536 3.523 ( 1.477 -3.604 -6.914) 7.936 3.735 ( -2.606 -0.146 6.145) 6.676 3.946 ( 2.545 3.823 -2.538) 5.248 4.200 ( 0.317 0.256 4.009) 4.029 4.211 ( 0.603 2.806 0.652) 2.944 4.391 ( 1.188 1.244 -2.839) 3.320 4.436 ( -0.093 1.766 -3.755) 4.151 4.810 ( 0.216 -4.045 3.582) 5.407 4.893 ( 1.161 -0.045 -3.721) 3.898 5.481 ( -2.568 -2.127 2.555) 4.201 5.497 ( -1.407 -0.503 -0.181) 1.505 5.685 ( -6.267 0.079 1.364) 6.414 5.737 ( -3.737 2.137 1.509) 4.562 5.911 ( -1.031 -3.692 -5.048) 6.338 5.985 ( 1.033 -3.639 -0.215) 3.789 6.146 ( -2.237 -5.537 2.216) 6.369 6.291 ( 1.273 -3.848 -0.301) 4.065 6.664 ( 3.400 1.977 3.765) 5.445 6.686 ( 2.156 2.170 -2.576) 3.999 7.040 ( -0.735 2.769 -1.080) 3.062 7.068 ( -0.873 1.700 -1.921) 2.710 7.430 ( -1.303 0.525 -0.986) 1.716 7.468 ( -0.850 0.087 -1.254) 1.517 11.840 ( -3.616 -0.892 4.232) 5.638 11.974 ( -1.476 -0.151 -5.556) 5.751 12.413 ( 1.342 1.329 0.468) 1.946 12.460 ( 2.614 0.741 0.907) 2.865 14.010 ( -0.562 -1.143 0.758) 1.483 14.034 ( -0.139 -1.656 -1.472) 2.220 14.563 ( 0.366 4.493 1.872) 4.881 14.598 ( 0.439 4.498 -1.708) 4.831 16.951 ( 0.084 -1.174 3.244) 3.451 16.980 ( 0.314 -1.460 -2.410) 2.835 17.086 ( -2.378 -0.832 5.238) 5.813 17.251 ( 0.546 -0.156 -5.636) 5.664 17.472 ( -1.893 1.369 -0.736) 2.449 17.486 ( -1.009 1.081 0.579) 1.588 17.751 ( 0.190 -1.237 1.294) 1.800 17.779 ( 0.172 -0.551 -0.822) 1.004 19.253 ( 1.562 1.898 1.767) 3.028 19.351 ( 4.875 0.323 -1.319) 5.060 19.558 ( -3.198 -1.349 1.077) 3.635 19.659 ( 0.052 -2.731 -1.869) 3.310 28.230 ( -2.543 -2.907 -1.585) 4.175 28.282 ( 0.227 -4.408 0.750) 4.478 28.743 ( -0.972 -1.564 -0.699) 1.970 28.784 ( 1.108 -1.151 0.177) 1.608 29.677 ( 0.919 -4.780 2.085) 5.295 29.719 ( 1.304 -3.666 -2.059) 4.402 30.245 ( -0.867 -5.968 6.060) 8.550 30.380 ( 0.423 -6.138 -7.271) 9.525 32.167 ( 1.777 7.689 6.102) 9.976 32.288 ( 4.407 9.013 -6.056) 11.719 33.695 ( -6.906 26.913 21.391) 35.065 34.284 ( -2.518 24.396 -28.845) 37.862 35.505 ( -2.035 0.511 5.067) 5.484 35.841 ( 8.246 -6.412 2.542) 10.750 35.990 ( -5.528 -7.397 4.982) 10.492 36.243 ( 2.168 -11.425 -6.522) 13.333 ======================= Grid point 229 (117/132) ======================= q-point: ( 0.33 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.981 0.668 8.046) 8.607 1.718 ( 2.575 0.492 -5.807) 6.371 1.800 ( -1.801 9.131 10.686) 14.171 2.013 ( -0.288 5.142 -8.526) 9.961 2.252 ( -3.617 3.452 2.715) 5.690 2.314 ( -3.805 0.582 1.179) 4.026 2.404 ( -0.560 0.821 -1.092) 1.477 2.460 ( -0.418 -0.914 -8.914) 8.970 2.666 ( 7.698 -1.997 -1.987) 8.197 2.765 ( 2.547 2.735 -0.643) 3.793 3.258 ( 3.378 11.802 6.971) 14.117 3.312 ( 2.723 11.025 -4.807) 12.332 3.470 ( 3.157 -4.474 6.091) 8.190 3.564 ( 2.898 -3.040 -0.798) 4.275 3.721 ( 0.332 1.094 4.922) 5.053 3.972 ( 0.322 3.063 -4.696) 5.616 4.186 ( -0.174 4.300 2.622) 5.040 4.258 ( 1.964 -2.685 6.337) 7.157 4.382 ( -2.278 4.657 -4.228) 6.689 4.435 ( 1.355 -1.062 -5.320) 5.591 4.828 ( 0.969 -2.783 3.016) 4.216 4.909 ( 0.738 1.809 -3.012) 3.591 5.436 ( -2.065 -0.852 3.164) 3.873 5.494 ( 1.175 -2.363 -3.397) 4.302 5.558 ( -6.494 -2.473 4.679) 8.378 5.647 ( -4.206 0.597 -2.108) 4.743 5.894 ( -0.241 -0.590 -3.030) 3.096 5.953 ( -3.603 -1.919 -0.329) 4.095 6.162 ( 3.282 -7.072 0.924) 7.851 6.289 ( -1.662 -4.993 0.803) 5.324 6.725 ( 1.758 2.526 3.344) 4.545 6.738 ( 3.247 3.109 -1.988) 4.915 7.020 ( -1.096 3.810 -0.479) 3.993 7.050 ( -0.433 2.052 -2.086) 2.958 7.409 ( -0.236 0.197 -2.442) 2.461 7.434 ( -2.535 1.004 0.382) 2.753 11.787 ( -2.436 -0.657 4.754) 5.382 11.922 ( -2.271 0.048 -6.056) 6.468 12.455 ( 2.467 1.264 0.600) 2.836 12.499 ( 1.024 0.721 0.630) 1.402 14.000 ( -0.566 -1.415 0.912) 1.776 14.027 ( -0.226 -1.889 -1.682) 2.540 14.576 ( 0.550 4.627 1.580) 4.920 14.605 ( 0.479 4.593 -1.313) 4.801 16.943 ( -1.444 -0.607 4.008) 4.303 16.991 ( 1.006 -1.426 -3.339) 3.768 17.067 ( -0.331 -1.209 5.594) 5.732 17.233 ( -1.205 -0.068 -5.621) 5.749 17.444 ( -0.435 1.331 -1.173) 1.827 17.462 ( -1.629 1.280 0.969) 2.287 17.758 ( 0.213 -1.673 0.943) 1.932 17.777 ( -0.175 -0.930 -0.404) 1.029 19.310 ( 3.754 1.931 1.592) 4.512 19.449 ( 4.280 0.487 -0.956) 4.413 19.498 ( -2.260 -2.409 0.506) 3.341 19.636 ( -2.201 -3.059 -1.282) 3.981 28.194 ( -0.748 -2.233 -0.875) 2.512 28.261 ( -2.208 -3.483 -0.485) 4.153 28.738 ( 0.527 -1.871 0.341) 1.973 28.794 ( -0.081 -1.252 -0.592) 1.388 29.702 ( 1.092 -5.230 2.163) 5.764 29.743 ( 1.324 -3.829 -1.873) 4.463 30.240 ( -0.711 -5.791 5.697) 8.154 30.371 ( -0.010 -5.757 -7.090) 9.133 32.220 ( 2.061 8.014 7.579) 11.221 32.373 ( 5.091 9.343 -7.901) 13.253 33.610 ( -5.038 27.186 18.633) 33.341 34.102 ( -9.406 26.886 -22.154) 36.085 35.586 ( 8.450 -1.188 0.841) 8.574 35.871 ( -6.884 -5.517 3.628) 9.539 35.993 ( 5.887 -9.011 4.939) 11.843 36.251 ( -0.194 -12.382 -6.352) 13.917 ======================= Grid point 230 (118/132) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.833 0.134 6.547) 6.601 1.739 ( 0.054 -0.985 -4.771) 4.872 1.799 ( 0.362 8.318 10.155) 13.132 1.974 ( -2.520 7.067 -4.059) 8.530 2.166 ( -3.979 3.132 4.773) 6.959 2.281 ( 0.377 0.740 -2.517) 2.651 2.401 ( -0.408 1.682 -0.418) 1.781 2.455 ( 1.438 -0.699 -6.649) 6.838 2.750 ( -3.437 3.036 0.954) 4.685 2.785 ( 4.020 0.364 -3.291) 5.209 3.267 ( -3.786 10.574 6.952) 13.208 3.362 ( 2.146 7.483 -2.326) 8.125 3.528 ( 0.480 -3.316 2.464) 4.159 3.603 ( 3.333 -3.623 -4.749) 6.840 3.759 ( 0.907 2.253 9.011) 9.332 3.949 ( -0.205 1.587 -9.464) 9.598 4.216 ( 2.113 4.433 5.050) 7.044 4.295 ( -1.371 -1.470 7.892) 8.144 4.309 ( -2.147 2.778 -3.441) 4.915 4.438 ( -0.643 -0.611 -6.209) 6.272 4.853 ( 0.874 -0.927 2.219) 2.559 4.909 ( 0.232 2.359 -3.626) 4.332 5.412 ( -1.693 -2.298 4.951) 5.715 5.460 ( -2.105 -3.030 1.928) 4.163 5.548 ( 2.420 -1.310 -1.207) 3.005 5.616 ( 2.876 -1.690 -6.556) 7.356 5.863 ( -3.095 0.081 2.426) 3.934 5.925 ( 2.160 -0.845 -3.765) 4.422 6.228 ( -1.037 -6.871 1.408) 7.090 6.251 ( 1.802 -6.144 -0.878) 6.463 6.725 ( -2.605 3.534 4.590) 6.351 6.779 ( 0.873 2.748 -0.925) 3.028 7.014 ( 0.843 3.734 -0.499) 3.860 7.046 ( 0.586 2.635 -3.576) 4.481 7.385 ( -2.297 2.345 1.485) 3.603 7.419 ( 1.539 -0.405 -2.148) 2.673 11.773 ( 0.115 -0.341 5.301) 5.313 11.885 ( -0.214 -0.139 -6.304) 6.310 12.491 ( 0.335 1.213 0.973) 1.591 12.500 ( -0.369 0.858 0.097) 0.939 13.994 ( -0.144 -1.610 1.110) 1.961 14.022 ( 0.084 -1.945 -1.722) 2.600 14.585 ( 0.056 4.355 1.236) 4.527 14.610 ( 0.260 4.921 -1.393) 5.121 16.917 ( -1.919 -0.801 5.251) 5.648 17.008 ( 1.443 -1.112 -4.212) 4.589 17.087 ( 1.073 -1.157 5.870) 6.078 17.199 ( -0.967 -0.241 -5.747) 5.833 17.435 ( -1.179 1.419 0.626) 1.948 17.451 ( 1.279 1.354 -0.993) 2.111 17.761 ( -0.045 -1.876 0.995) 2.124 17.773 ( -0.130 -1.160 -0.254) 1.194 19.371 ( -0.127 2.112 3.036) 3.700 19.434 ( 0.777 0.478 -3.281) 3.405 19.549 ( 1.087 -3.426 1.311) 3.826 19.580 ( -1.153 -2.921 -1.892) 3.666 28.203 ( 1.740 -2.004 0.066) 2.655 28.213 ( -2.227 -2.515 -0.868) 3.470 28.748 ( -0.342 -1.179 1.888) 2.253 28.790 ( 0.543 -2.261 -2.213) 3.210 29.714 ( -0.474 -4.686 2.370) 5.273 29.759 ( 0.607 -4.821 -2.145) 5.311 30.239 ( -0.483 -5.134 5.730) 7.708 30.360 ( 0.359 -5.804 -6.882) 9.010 32.252 ( -0.636 8.247 8.357) 11.758 32.422 ( 0.992 9.366 -9.348) 13.270 33.589 ( -0.547 26.397 19.337) 32.726 33.939 ( -2.458 29.734 -16.850) 34.265 35.737 ( -6.980 -3.213 0.868) 7.733 35.775 ( 10.496 -4.519 -3.460) 11.939 36.087 ( 2.821 -10.099 6.253) 12.209 36.209 ( -3.164 -12.908 -6.340) 14.725 ======================= Grid point 231 (119/132) ======================= q-point: (-0.33 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -2.482 0.324 4.712) 5.335 1.695 ( -3.367 2.786 -1.582) 4.647 1.813 ( -1.601 5.600 6.901) 9.031 1.960 ( 2.779 6.284 -2.330) 7.255 2.155 ( 1.494 3.714 7.595) 8.585 2.302 ( 0.781 1.640 0.225) 1.830 2.389 ( 0.506 -0.096 -0.804) 0.955 2.481 ( 1.755 -1.656 -4.436) 5.050 2.649 ( -6.250 0.509 0.153) 6.272 2.794 ( -2.781 1.666 -4.361) 5.434 3.179 ( -5.495 14.337 7.583) 17.124 3.356 ( -2.513 6.628 -0.480) 7.104 3.495 ( -2.649 -0.057 -1.641) 3.117 3.657 ( 0.636 -6.582 -7.609) 10.080 3.765 ( 0.332 3.306 5.044) 6.040 3.952 ( 0.890 1.590 -6.341) 6.598 4.197 ( -4.853 4.356 3.756) 7.526 4.278 ( 2.304 2.936 4.141) 5.575 4.337 ( 1.572 -2.118 2.765) 3.822 4.388 ( -2.974 0.317 -4.777) 5.637 4.855 ( -1.017 -1.451 1.630) 2.408 4.912 ( 0.518 1.421 -4.530) 4.776 5.408 ( 0.748 -4.425 4.705) 6.502 5.462 ( 2.099 0.609 0.968) 2.390 5.602 ( 3.508 -0.130 -0.945) 3.635 5.710 ( 6.855 -4.800 -6.806) 10.786 5.828 ( -0.992 1.149 2.673) 3.074 5.984 ( 3.733 -1.530 -2.672) 4.839 6.171 ( -2.647 -5.249 0.156) 5.881 6.308 ( 1.975 -7.557 -1.209) 7.904 6.661 ( -4.400 4.575 5.842) 8.626 6.765 ( -1.923 1.515 -0.803) 2.577 7.040 ( 1.601 2.278 -1.696) 3.261 7.056 ( 0.942 3.166 -3.384) 4.729 7.366 ( 0.222 2.711 1.693) 3.204 7.452 ( 1.925 -0.564 -1.115) 2.295 11.808 ( 2.371 -0.110 4.988) 5.524 11.895 ( 2.272 -0.579 -5.624) 6.093 12.457 ( -2.668 1.042 0.379) 2.889 12.499 ( -0.904 1.119 0.582) 1.552 13.999 ( 0.363 -1.524 1.095) 1.912 14.024 ( 0.424 -1.790 -1.498) 2.372 14.581 ( -0.641 3.995 1.128) 4.200 14.609 ( -0.039 5.098 -1.822) 5.414 16.898 ( -0.881 -1.069 4.989) 5.178 17.024 ( 0.743 -1.153 -3.374) 3.642 17.119 ( 0.891 -0.940 5.936) 6.075 17.184 ( 0.689 -0.293 -6.030) 6.076 17.425 ( 0.067 1.550 0.717) 1.709 17.484 ( 2.202 1.324 -1.204) 2.838 17.759 ( -0.345 -1.634 1.149) 2.027 17.772 ( 0.026 -1.149 -0.248) 1.176 19.319 ( -3.590 1.548 0.829) 3.996 19.451 ( -4.224 0.695 -1.104) 4.421 19.516 ( 2.943 -2.590 -1.377) 4.155 19.623 ( 2.021 -3.057 -0.112) 3.666 28.187 ( -0.266 -2.310 -0.083) 2.327 28.252 ( 2.946 -2.408 0.326) 3.819 28.729 ( -1.433 -1.163 1.203) 2.203 28.807 ( 1.048 -2.295 -1.811) 3.106 29.695 ( -1.663 -4.057 2.015) 4.825 29.755 ( -0.643 -5.232 -2.108) 5.678 30.241 ( -0.384 -4.477 5.826) 7.357 30.362 ( 1.063 -6.448 -6.552) 9.254 32.225 ( -3.335 8.188 7.372) 11.512 32.376 ( -3.599 9.130 -8.375) 12.902 33.652 ( 2.905 25.708 22.048) 33.993 33.964 ( 7.293 30.039 -15.886) 34.755 35.621 ( -4.314 -1.006 -2.321) 5.001 35.957 ( 8.959 -7.288 -5.472) 12.780 36.091 ( -6.267 -12.631 -3.339) 14.491 36.134 ( -0.872 -9.562 3.829) 10.337 ======================= Grid point 232 (120/132) ======================= q-point: (-0.17 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -3.584 0.280 6.040) 7.029 1.639 ( -1.476 4.942 -3.905) 6.469 1.793 ( -1.469 8.913 9.540) 13.138 2.022 ( 3.234 2.714 -8.890) 9.842 2.224 ( 3.504 4.347 11.194) 12.509 2.303 ( 0.493 1.697 2.102) 2.746 2.439 ( 3.368 -2.376 0.671) 4.175 2.480 ( -1.795 -2.101 -0.334) 2.783 2.548 ( -3.081 -3.922 -2.146) 5.430 2.691 ( -5.645 1.313 -7.072) 9.143 3.116 ( -2.468 18.687 8.875) 20.835 3.295 ( -2.700 8.694 -0.736) 9.133 3.434 ( -3.574 1.629 -1.258) 4.124 3.600 ( -3.182 -3.962 -9.917) 11.143 3.800 ( 1.257 1.911 3.035) 3.800 3.927 ( -2.144 1.044 -4.621) 5.200 4.144 ( -1.244 2.016 5.556) 6.040 4.298 ( -3.643 2.366 -3.185) 5.387 4.331 ( 2.269 2.146 3.816) 4.931 4.393 ( 2.282 -0.108 -0.713) 2.393 4.830 ( -1.672 -3.157 2.421) 4.316 4.904 ( -0.315 -0.343 -5.504) 5.523 5.454 ( 2.992 -3.668 3.074) 5.644 5.519 ( 2.496 -0.584 -0.434) 2.600 5.668 ( 3.349 1.639 2.457) 4.465 5.811 ( 1.269 3.967 -3.233) 5.273 5.836 ( 4.079 -6.983 0.650) 8.113 6.017 ( -0.382 -3.828 -3.525) 5.218 6.159 ( 1.566 -3.029 1.036) 3.564 6.307 ( -1.561 -6.506 -2.126) 7.021 6.603 ( -2.283 3.760 5.932) 7.385 6.717 ( -2.596 0.571 -1.565) 3.084 7.055 ( 0.439 1.711 -2.270) 2.877 7.071 ( 1.014 2.486 -2.506) 3.673 7.397 ( 2.332 2.013 1.399) 3.384 7.477 ( 0.827 -0.597 -1.125) 1.519 11.867 ( 2.430 -0.380 4.365) 5.010 11.940 ( 3.003 -0.759 -4.895) 5.792 12.412 ( -1.660 1.134 0.573) 2.090 12.465 ( -2.556 1.118 0.400) 2.819 14.009 ( 0.452 -1.269 0.937) 1.641 14.031 ( 0.467 -1.535 -1.289) 2.058 14.568 ( -0.840 3.872 1.418) 4.209 14.603 ( -0.206 4.979 -2.230) 5.460 16.903 ( 0.529 -1.303 4.362) 4.583 17.018 ( -0.683 -1.464 -2.926) 3.343 17.136 ( -0.307 -0.797 5.766) 5.829 17.202 ( 2.051 -0.163 -5.867) 6.217 17.442 ( 1.447 1.663 1.432) 2.629 17.519 ( 1.412 1.083 -1.929) 2.624 17.753 ( -0.513 -1.453 1.578) 2.205 17.772 ( 0.102 -0.576 -0.650) 0.875 19.264 ( -2.002 1.456 0.920) 2.642 19.351 ( -4.748 0.668 -1.543) 5.037 19.582 ( 3.144 -1.879 -0.918) 3.776 19.641 ( 0.034 -2.473 -0.501) 2.523 28.204 ( 1.852 -3.021 1.083) 3.706 28.296 ( 1.150 -3.229 -0.699) 3.498 28.716 ( 0.098 -1.125 1.669) 2.015 28.811 ( -0.392 -1.964 -2.143) 2.934 29.670 ( -1.152 -3.628 1.971) 4.287 29.731 ( -1.198 -5.042 -2.290) 5.665 30.245 ( -0.321 -4.607 6.185) 7.719 30.373 ( 1.157 -6.851 -6.708) 9.658 32.171 ( -3.051 7.854 5.951) 10.316 32.289 ( -3.326 8.875 -6.377) 11.423 33.746 ( 1.428 25.079 25.366) 35.699 34.113 ( 10.752 28.558 -20.189) 36.589 35.589 ( 1.930 -0.614 -3.631) 4.157 35.899 ( -11.790 -8.722 -3.551) 15.089 36.100 ( 6.190 -9.421 -5.764) 12.661 36.121 ( -1.771 -9.136 5.409) 10.764 ======================= Grid point 233 (121/132) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.117 0.609 5.216) 5.253 1.648 ( 0.012 -0.925 -6.788) 6.851 1.978 ( -1.314 7.389 6.045) 9.636 2.104 ( 1.836 2.482 -5.995) 6.743 2.335 ( 0.050 -0.829 3.874) 3.962 2.360 ( 0.810 1.731 4.510) 4.898 2.367 ( -0.071 -1.751 -0.995) 2.015 2.417 ( -0.604 -3.735 1.932) 4.249 2.453 ( 4.306 -3.073 0.401) 5.306 2.596 ( -1.898 -0.437 -10.038) 10.226 3.313 ( -1.335 0.894 4.950) 5.204 3.417 ( -0.304 1.450 -1.560) 2.151 3.479 ( 0.155 8.028 1.476) 8.164 3.591 ( -0.448 8.981 -6.366) 11.017 3.781 ( -4.861 -0.988 7.047) 8.618 3.933 ( 3.663 0.098 -8.211) 8.992 4.153 ( -1.134 -0.015 9.758) 9.824 4.316 ( 0.075 2.415 -6.535) 6.967 4.386 ( -0.365 0.996 2.434) 2.655 4.457 ( 2.616 2.303 -3.746) 5.116 4.803 ( -0.585 1.844 4.542) 4.937 4.885 ( -0.353 -0.857 -4.092) 4.196 5.388 ( 1.333 -7.128 2.579) 7.696 5.434 ( -0.525 -4.607 -2.208) 5.136 5.765 ( 1.251 0.338 4.562) 4.743 5.832 ( -0.806 0.927 -2.057) 2.395 5.872 ( 2.503 -0.507 1.357) 2.892 5.933 ( -4.021 -0.084 -4.843) 6.295 6.173 ( -1.949 2.015 3.556) 4.528 6.241 ( 1.892 0.374 -3.047) 3.606 6.628 ( 0.569 0.359 3.628) 3.690 6.673 ( 0.040 -0.883 -1.148) 1.449 7.068 ( -0.215 -0.102 -0.942) 0.972 7.086 ( 0.209 -0.453 -2.711) 2.757 7.453 ( 0.927 0.383 1.113) 1.499 7.467 ( -0.648 -0.484 -0.325) 0.872 11.874 ( -1.677 -0.460 4.765) 5.073 11.975 ( 2.075 -0.143 -5.731) 6.096 12.425 ( 1.103 0.506 1.330) 1.801 12.438 ( -1.472 0.542 0.084) 1.571 13.996 ( 0.025 -0.737 0.430) 0.853 14.009 ( 0.146 -1.027 -0.961) 1.414 14.627 ( -0.095 2.532 2.405) 3.493 14.675 ( -0.114 2.887 -2.611) 3.894 16.910 ( 1.015 -0.472 3.806) 3.968 16.979 ( -0.715 -0.297 -3.220) 3.312 17.112 ( -2.149 -0.319 6.295) 6.659 17.235 ( 2.069 0.158 -6.422) 6.749 17.495 ( 1.026 0.743 1.614) 2.052 17.530 ( -1.236 0.278 -1.948) 2.324 17.726 ( -0.098 -0.937 2.359) 2.540 17.767 ( 0.360 -0.348 -2.023) 2.084 19.267 ( -0.344 0.782 2.650) 2.785 19.321 ( 0.052 0.894 -2.936) 3.069 19.570 ( -0.638 -1.189 1.757) 2.215 19.610 ( 0.679 -1.430 -2.387) 2.864 28.186 ( 1.629 -2.240 1.561) 3.179 28.223 ( -1.702 -2.308 -2.305) 3.679 28.728 ( 1.878 -0.293 1.419) 2.372 28.759 ( -1.597 -0.908 -1.783) 2.560 29.609 ( -0.714 -1.752 1.819) 2.625 29.652 ( 0.779 -1.749 -2.618) 3.243 30.172 ( -1.007 -2.476 4.914) 5.594 30.281 ( 1.146 -3.381 -6.548) 7.458 32.266 ( -0.793 4.364 6.292) 7.698 32.388 ( 0.665 4.910 -6.369) 8.069 34.167 ( -2.915 14.401 26.028) 29.889 34.667 ( 5.332 14.600 -25.786) 30.108 35.581 ( -4.681 -3.074 3.215) 6.457 35.640 ( 2.201 -2.188 -2.805) 4.183 35.928 ( -2.979 -5.186 3.830) 7.102 36.009 ( 3.042 -7.456 -4.588) 9.268 ======================= Grid point 234 (122/132) ======================= q-point: ( 0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.857 2.023 4.209) 4.748 1.657 ( 1.932 -2.428 -5.720) 6.508 1.973 ( -0.368 6.724 6.219) 9.166 2.126 ( 1.515 4.942 -4.898) 7.121 2.323 ( 0.257 0.134 0.439) 0.526 2.353 ( -3.750 -1.871 3.345) 5.362 2.400 ( 1.231 -0.796 0.785) 1.663 2.463 ( 6.148 -2.237 -2.024) 6.848 2.522 ( -2.673 1.327 -8.283) 8.804 2.582 ( 7.625 -5.705 -0.996) 9.575 3.335 ( 2.086 0.310 5.907) 6.272 3.436 ( 2.830 -0.166 -0.895) 2.972 3.483 ( -0.450 7.252 3.163) 7.925 3.547 ( -2.884 9.345 -4.856) 10.919 3.726 ( -1.700 -0.795 6.565) 6.828 3.998 ( 4.135 0.714 -6.541) 7.771 4.153 ( -0.845 -1.586 9.331) 9.502 4.303 ( -0.758 3.868 -1.434) 4.194 4.383 ( 0.196 -1.726 -3.301) 3.730 4.480 ( 0.751 3.267 -4.811) 5.863 4.815 ( 0.809 2.658 4.992) 5.713 4.901 ( 2.535 -0.400 -3.088) 4.016 5.383 ( -1.068 -5.612 0.557) 5.739 5.441 ( 0.806 -3.744 -1.375) 4.069 5.686 ( -8.227 0.457 2.770) 8.693 5.748 ( -7.125 -1.282 -3.961) 8.252 5.886 ( 1.134 0.236 -0.003) 1.158 5.940 ( 1.560 -1.223 0.798) 2.137 6.127 ( -2.885 2.393 3.362) 5.035 6.260 ( 0.292 0.461 -2.507) 2.566 6.679 ( 3.639 -0.093 2.519) 4.427 6.708 ( 3.424 0.239 -0.666) 3.496 7.064 ( 0.047 0.017 -1.452) 1.452 7.083 ( -0.231 0.064 -1.813) 1.828 7.433 ( -1.661 -0.117 -0.385) 1.709 7.472 ( -0.081 0.218 0.535) 0.583 11.827 ( -3.527 -0.440 4.667) 5.867 11.972 ( -1.245 -0.069 -6.086) 6.212 12.433 ( 1.345 0.718 0.407) 1.578 12.470 ( 2.503 0.298 1.319) 2.845 13.990 ( -0.699 -0.794 0.396) 1.129 14.005 ( -0.392 -1.115 -1.154) 1.651 14.636 ( 0.495 2.678 2.460) 3.670 14.673 ( 0.437 2.789 -2.266) 3.621 16.935 ( 0.704 -0.519 3.584) 3.689 16.966 ( 0.065 -0.141 -3.403) 3.406 17.075 ( -2.569 -0.293 6.234) 6.749 17.251 ( 0.651 0.089 -6.281) 6.315 17.491 ( -1.906 0.579 -1.291) 2.374 17.504 ( -0.578 0.736 1.297) 1.599 17.726 ( -0.320 -1.131 1.914) 2.246 17.765 ( -0.192 -0.632 -1.934) 2.044 19.287 ( 1.992 1.374 2.074) 3.187 19.350 ( 3.202 -0.259 -1.719) 3.643 19.544 ( -2.202 -0.170 1.291) 2.559 19.610 ( -0.381 -1.993 -2.030) 2.870 28.181 ( -1.890 -1.876 -1.866) 3.251 28.212 ( 0.462 -2.490 1.365) 2.877 28.720 ( -1.323 -0.727 -1.328) 2.011 28.768 ( 1.323 -0.461 0.528) 1.497 29.607 ( 0.283 -2.276 1.734) 2.875 29.672 ( 1.538 -1.387 -2.523) 3.265 30.161 ( -0.879 -2.666 4.907) 5.654 30.288 ( 0.701 -3.173 -6.483) 7.252 32.289 ( 1.838 4.359 6.975) 8.428 32.429 ( 4.630 4.949 -6.964) 9.718 34.122 ( -6.046 15.570 23.747) 29.033 34.653 ( -2.110 12.924 -27.145) 30.138 35.520 ( -0.625 0.917 4.081) 4.229 35.722 ( 5.246 -5.262 0.478) 7.446 35.867 ( -3.970 -4.386 3.086) 6.672 36.039 ( 0.891 -8.438 -4.151) 9.446 ======================= Grid point 235 (123/132) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.922 1.765 3.503) 4.368 1.686 ( 1.676 -2.759 -4.643) 5.655 1.986 ( 0.342 8.586 8.469) 12.065 2.136 ( -0.164 5.493 -2.846) 6.189 2.270 ( -3.823 -1.659 -0.134) 4.170 2.315 ( -2.600 0.404 -2.605) 3.703 2.422 ( 0.909 0.260 -0.272) 0.983 2.445 ( -0.708 0.951 -8.012) 8.099 2.609 ( 7.522 -2.951 0.842) 8.124 2.727 ( 5.700 -4.974 -1.182) 7.657 3.382 ( 1.399 -0.218 4.091) 4.329 3.460 ( -1.491 5.104 3.030) 6.120 3.483 ( -0.315 3.544 -2.052) 4.108 3.525 ( 2.583 0.146 -1.623) 3.054 3.745 ( 2.518 0.882 7.179) 7.659 4.041 ( 0.553 3.377 -6.351) 7.215 4.153 ( 0.021 -3.932 7.408) 8.387 4.301 ( 0.605 4.087 3.982) 5.738 4.366 ( -1.534 -4.355 -5.466) 7.156 4.480 ( 0.382 4.428 -6.030) 7.491 4.850 ( 1.927 3.294 4.749) 6.093 4.949 ( 2.332 1.058 -2.609) 3.656 5.373 ( -0.066 -3.913 0.955) 4.028 5.449 ( 0.338 -1.993 -2.780) 3.437 5.525 ( -7.593 -0.220 2.861) 8.117 5.609 ( -5.865 -3.436 -4.026) 7.900 5.911 ( 1.484 0.490 -1.711) 2.317 5.938 ( -1.741 -0.486 1.336) 2.248 6.101 ( 0.043 1.063 3.381) 3.544 6.238 ( -2.087 -0.209 -2.067) 2.945 6.751 ( 2.775 0.409 2.860) 4.005 6.775 ( 3.026 0.769 0.389) 3.146 7.066 ( 0.294 0.904 -2.267) 2.458 7.073 ( -0.227 0.515 -1.519) 1.620 7.410 ( -0.481 0.040 -0.151) 0.506 7.457 ( -1.485 0.901 0.201) 1.748 11.777 ( -2.273 -0.355 5.049) 5.548 11.922 ( -2.230 -0.018 -6.412) 6.788 12.475 ( 2.445 0.716 0.521) 2.600 12.509 ( 1.086 0.347 1.088) 1.575 13.975 ( -0.767 -0.946 0.545) 1.335 13.994 ( -0.410 -1.265 -1.380) 1.916 14.649 ( 0.369 2.656 2.200) 3.469 14.681 ( 0.724 2.825 -1.926) 3.494 16.938 ( -1.268 -0.072 3.858) 4.062 16.973 ( 1.141 -0.418 -3.580) 3.781 17.053 ( -0.565 -0.378 6.379) 6.415 17.235 ( -1.043 0.209 -6.363) 6.452 17.465 ( -0.332 0.813 -1.047) 1.366 17.485 ( -1.468 0.965 0.976) 2.009 17.722 ( -0.351 -1.629 1.692) 2.375 17.756 ( -0.406 -1.037 -1.519) 1.883 19.345 ( 3.648 1.606 1.206) 4.165 19.420 ( 3.689 -2.048 -0.170) 4.223 19.497 ( -2.685 0.906 0.707) 2.921 19.586 ( -1.843 -1.937 -2.103) 3.402 28.156 ( -0.313 -1.474 -0.951) 1.782 28.204 ( -1.388 -2.109 0.317) 2.545 28.711 ( 0.581 -0.860 -0.252) 1.068 28.777 ( -0.435 -0.477 -0.487) 0.809 29.624 ( 1.036 -2.581 1.883) 3.358 29.692 ( 0.823 -1.589 -2.646) 3.194 30.159 ( -0.282 -2.567 4.862) 5.506 30.284 ( 0.123 -2.969 -6.382) 7.040 32.346 ( 2.172 4.422 8.369) 9.711 32.516 ( 5.162 4.892 -8.658) 11.204 34.045 ( -5.650 15.924 21.787) 27.571 34.519 ( -5.707 14.838 -23.518) 28.387 35.577 ( 5.365 0.350 1.772) 5.661 35.783 ( -4.090 -3.208 2.622) 5.822 35.829 ( 4.210 -6.761 1.459) 8.097 36.027 ( -1.494 -9.550 -3.603) 10.316 ======================= Grid point 236 (124/132) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.780 -0.102 3.999) 4.076 1.701 ( 1.332 -1.907 -5.262) 5.753 2.005 ( -0.474 9.870 10.050) 14.094 2.113 ( -1.430 5.273 2.467) 5.995 2.224 ( -1.551 3.561 -4.146) 5.682 2.254 ( -0.680 -2.950 -3.261) 4.450 2.422 ( -0.950 0.170 -0.846) 1.283 2.450 ( 1.039 1.216 -4.001) 4.309 2.728 ( 2.964 -4.121 0.185) 5.080 2.751 ( -1.924 -3.161 -1.625) 4.041 3.395 ( -0.871 2.215 4.241) 4.863 3.446 ( -0.158 2.267 0.716) 2.383 3.499 ( 1.847 -0.613 -0.562) 2.026 3.547 ( 0.743 -1.511 -4.966) 5.244 3.825 ( 2.586 3.696 9.444) 10.466 4.005 ( -1.377 3.218 -8.566) 9.253 4.190 ( 1.617 -4.495 7.148) 8.598 4.310 ( -2.344 -3.434 -5.220) 6.673 4.330 ( 0.587 4.113 6.361) 7.598 4.463 ( -1.280 3.430 -6.455) 7.421 4.892 ( 0.759 3.536 4.086) 5.456 4.967 ( 0.441 2.017 -3.709) 4.245 5.375 ( -2.136 -1.821 2.977) 4.091 5.400 ( -0.666 -1.681 0.740) 1.954 5.493 ( 1.264 -4.054 -0.652) 4.296 5.541 ( 0.585 -3.116 -5.080) 5.988 5.905 ( -1.159 1.939 0.746) 2.379 5.940 ( 2.119 0.687 -2.600) 3.424 6.136 ( 2.164 -1.599 3.248) 4.217 6.188 ( -2.056 -0.218 -2.129) 2.968 6.773 ( -1.314 1.369 4.506) 4.889 6.805 ( -0.197 0.335 0.938) 1.015 7.061 ( 0.130 1.243 -1.690) 2.102 7.081 ( 1.049 0.770 -3.494) 3.729 7.417 ( 0.595 0.515 0.786) 1.112 7.427 ( -0.960 1.088 -0.236) 1.470 11.767 ( 0.352 -0.225 5.468) 5.484 11.882 ( -0.477 -0.104 -6.470) 6.489 12.509 ( -0.755 0.581 0.885) 1.300 12.514 ( 0.782 0.559 0.441) 1.057 13.967 ( -0.153 -1.042 0.733) 1.283 13.988 ( 0.089 -1.327 -1.409) 1.938 14.654 ( -0.288 2.502 1.887) 3.147 14.691 ( 0.520 2.946 -1.930) 3.560 16.910 ( -2.055 -0.044 4.755) 5.180 16.992 ( 1.465 -0.476 -3.750) 4.054 17.074 ( 1.234 -0.291 6.453) 6.577 17.200 ( -1.019 0.252 -6.616) 6.698 17.460 ( -1.150 1.008 0.583) 1.637 17.475 ( 1.360 0.971 -0.972) 1.934 17.720 ( -0.171 -1.899 1.766) 2.599 17.748 ( -0.051 -1.189 -1.234) 1.714 19.410 ( -0.538 1.703 1.496) 2.330 19.430 ( 0.956 -0.613 -0.587) 1.279 19.494 ( 0.373 -2.158 1.727) 2.789 19.546 ( -0.399 -0.715 -3.471) 3.566 28.168 ( 1.639 -1.393 -0.223) 2.163 28.171 ( -1.707 -1.585 -0.378) 2.359 28.733 ( 0.911 -0.466 0.863) 1.338 28.757 ( -0.850 -1.051 -1.489) 2.011 29.644 ( 0.374 -2.375 2.075) 3.176 29.692 ( -0.272 -2.142 -2.850) 3.575 30.167 ( 0.128 -2.288 4.821) 5.338 30.273 ( 0.032 -2.959 -6.352) 7.007 32.380 ( -0.599 4.499 9.073) 10.145 32.562 ( 0.872 4.737 -9.869) 10.981 34.009 ( -1.789 15.262 21.911) 26.762 34.414 ( -0.146 17.511 -20.028) 26.604 35.689 ( -1.664 -1.452 0.450) 2.254 35.708 ( 4.202 -1.872 -1.600) 4.871 35.905 ( 2.172 -7.499 3.568) 8.584 35.973 ( -2.922 -10.254 -3.427) 11.199 ======================= Grid point 237 (125/132) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -3.126 -1.883 3.628) 5.146 1.709 ( -0.245 -0.539 -5.476) 5.508 2.004 ( -1.054 10.034 8.748) 13.353 2.097 ( -0.731 6.622 -0.170) 6.664 2.216 ( 1.508 2.534 2.675) 3.981 2.286 ( 3.482 -3.605 0.134) 5.014 2.386 ( -2.455 0.333 -0.865) 2.624 2.453 ( -0.126 -0.680 -2.741) 2.827 2.631 ( -7.671 -1.849 -1.085) 7.965 2.744 ( -2.745 -4.785 -3.148) 6.352 3.389 ( -0.061 5.613 4.999) 7.517 3.427 ( -2.409 2.508 0.949) 3.604 3.528 ( 0.908 -0.215 -2.455) 2.626 3.558 ( 1.459 -1.172 -6.272) 6.545 3.844 ( -0.805 4.190 4.282) 6.045 3.978 ( -1.169 0.322 -6.522) 6.634 4.196 ( -2.346 -2.999 7.064) 8.025 4.306 ( 3.085 -2.266 -3.122) 4.940 4.347 ( 0.417 4.738 4.372) 6.460 4.416 ( -2.189 2.651 -4.319) 5.520 4.875 ( -2.670 2.616 3.213) 4.929 4.958 ( -1.005 1.360 -4.362) 4.678 5.332 ( -1.432 -2.218 4.255) 5.007 5.444 ( 2.375 -2.722 -1.375) 3.866 5.534 ( 4.663 -6.337 1.837) 8.080 5.609 ( 6.203 -0.800 -3.886) 7.363 5.901 ( 0.260 2.846 -0.855) 2.983 5.981 ( 2.343 0.298 -2.970) 3.795 6.143 ( -0.138 1.646 0.183) 1.662 6.201 ( 2.008 -2.671 0.569) 3.390 6.724 ( -4.277 1.998 5.195) 7.019 6.773 ( -3.089 -0.465 0.798) 3.224 7.065 ( 0.520 0.678 -2.300) 2.454 7.091 ( 0.544 0.461 -3.090) 3.171 7.407 ( -0.076 1.326 0.280) 1.357 7.450 ( 1.576 0.125 0.843) 1.792 11.806 ( 2.401 -0.091 5.454) 5.960 11.886 ( 2.000 -0.304 -6.058) 6.387 12.473 ( -2.610 0.567 0.687) 2.757 12.516 ( -0.955 0.587 0.379) 1.183 13.973 ( 0.578 -0.977 0.760) 1.366 13.992 ( 0.596 -1.250 -1.204) 1.836 14.646 ( -0.873 2.363 1.828) 3.113 14.692 ( 0.024 3.027 -2.267) 3.782 16.888 ( -1.016 -0.128 4.707) 4.817 17.007 ( 0.540 -0.520 -3.105) 3.194 17.109 ( 0.979 -0.175 6.515) 6.591 17.185 ( 0.796 0.210 -6.910) 6.959 17.450 ( 0.111 0.941 0.543) 1.092 17.507 ( 2.007 0.916 -1.227) 2.524 17.721 ( -0.099 -1.741 2.050) 2.691 17.750 ( 0.498 -0.992 -1.254) 1.675 19.348 ( -3.658 1.344 0.854) 3.990 19.430 ( -3.693 -1.826 -1.094) 4.263 19.505 ( 2.992 0.567 0.338) 3.064 19.574 ( 2.045 -1.797 -1.448) 3.083 28.149 ( -0.448 -1.419 -0.078) 1.490 28.209 ( 2.355 -1.721 -0.353) 2.938 28.713 ( -1.515 -0.442 -0.314) 1.610 28.773 ( 1.278 -1.091 -0.262) 1.701 29.641 ( -0.960 -1.578 1.569) 2.423 29.676 ( -0.739 -2.739 -2.381) 3.704 30.177 ( -0.076 -2.089 4.784) 5.221 30.267 ( 0.540 -3.218 -6.377) 7.164 32.353 ( -3.519 4.545 8.203) 10.016 32.514 ( -3.584 4.711 -9.049) 10.813 34.054 ( 1.844 14.382 24.013) 28.052 34.450 ( 6.921 18.233 -19.621) 27.665 35.615 ( -3.006 0.584 -1.926) 3.618 35.833 ( 5.755 -5.739 -2.750) 8.580 35.859 ( -4.968 -9.263 -1.103) 10.569 35.966 ( 0.731 -6.781 2.034) 7.117 ======================= Grid point 238 (126/132) ======================= q-point: (-0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.355 -1.136 4.539) 4.871 1.677 ( -1.508 -0.068 -6.200) 6.381 1.995 ( -1.476 9.277 7.173) 11.819 2.088 ( 0.504 3.115 -4.654) 5.622 2.284 ( 4.032 1.559 6.784) 8.044 2.335 ( -0.925 1.358 2.087) 2.657 2.368 ( 2.895 -4.131 1.574) 5.284 2.438 ( -0.878 -2.551 -1.206) 2.955 2.479 ( -7.510 -1.539 0.118) 7.667 2.660 ( -3.631 -2.900 -8.022) 9.270 3.362 ( -3.826 1.593 2.247) 4.714 3.411 ( 0.720 8.958 5.807) 10.699 3.503 ( -1.983 -0.173 -6.099) 6.416 3.585 ( 1.957 5.016 -5.410) 7.632 3.839 ( -0.977 1.477 3.446) 3.875 3.923 ( -2.105 -1.201 -6.763) 7.184 4.166 ( -2.024 0.128 9.087) 9.311 4.330 ( -0.022 0.605 -7.006) 7.032 4.383 ( 0.158 2.101 4.355) 4.838 4.399 ( 3.255 2.549 -2.337) 4.749 4.827 ( -2.568 1.757 3.659) 4.803 4.918 ( -1.881 -0.123 -4.595) 4.967 5.344 ( 1.749 -4.731 3.674) 6.240 5.453 ( -0.547 -5.686 -1.912) 6.024 5.666 ( 6.936 -1.580 4.254) 8.289 5.737 ( 7.338 -0.996 -2.653) 7.866 5.893 ( -1.239 2.625 -0.674) 2.980 5.994 ( -0.720 0.225 -4.670) 4.731 6.166 ( 1.775 2.492 1.250) 3.305 6.223 ( 0.453 -1.692 -0.559) 1.838 6.652 ( -3.585 1.503 4.755) 6.142 6.708 ( -3.213 -1.159 -0.201) 3.421 7.070 ( 0.340 0.225 -2.032) 2.072 7.090 ( -0.053 -0.274 -2.440) 2.455 7.423 ( 1.471 0.672 0.713) 1.768 7.472 ( 0.455 -0.097 0.554) 0.723 11.861 ( 1.875 -0.211 5.102) 5.440 11.929 ( 3.273 -0.325 -5.613) 6.505 12.429 ( -1.730 0.570 0.870) 2.018 12.482 ( -2.505 0.542 0.166) 2.568 13.987 ( 0.692 -0.824 0.605) 1.235 14.003 ( 0.632 -1.100 -0.982) 1.605 14.632 ( -0.810 2.371 2.086) 3.260 14.684 ( -0.321 3.004 -2.606) 3.990 16.889 ( 0.300 -0.267 4.245) 4.264 16.999 ( -0.644 -0.508 -2.982) 3.093 17.127 ( -0.503 -0.234 6.454) 6.478 17.204 ( 2.219 0.213 -6.723) 7.083 17.467 ( 1.388 0.845 1.038) 1.928 17.536 ( 0.984 0.557 -1.759) 2.091 17.723 ( -0.100 -1.284 2.411) 2.733 17.760 ( 0.686 -0.569 -1.609) 1.839 19.290 ( -2.464 1.040 1.669) 3.152 19.357 ( -3.082 0.064 -2.311) 3.852 19.556 ( 1.892 -0.811 0.819) 2.215 19.599 ( 0.898 -1.593 -1.585) 2.420 28.156 ( 1.092 -1.726 0.808) 2.197 28.239 ( 0.606 -2.219 -1.499) 2.746 28.700 ( 0.386 -0.444 0.689) 0.906 28.782 ( -0.320 -0.905 -0.957) 1.356 29.623 ( -1.001 -1.255 1.397) 2.128 29.657 ( -0.703 -2.553 -2.209) 3.449 30.179 ( -0.604 -2.176 4.829) 5.331 30.271 ( 1.063 -3.437 -6.470) 7.403 32.296 ( -3.372 4.469 6.833) 8.834 32.427 ( -3.244 4.815 -7.278) 9.310 34.135 ( 1.135 13.838 26.193) 29.645 34.569 ( 8.612 17.100 -22.057) 29.208 35.585 ( 0.331 0.232 -2.301) 2.336 35.730 ( -7.039 -8.004 -0.813) 10.690 35.937 ( 4.558 -6.226 -3.499) 8.472 35.967 ( -0.950 -5.842 2.584) 6.458 ======================= Grid point 239 (127/132) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.602 0.000 3.350) 3.714 1.632 ( -1.157 0.000 -6.359) 6.464 2.058 ( -2.383 0.000 3.245) 4.026 2.125 ( 2.751 0.000 -3.163) 4.192 2.330 ( -1.966 0.000 0.968) 2.192 2.342 ( 0.974 0.000 0.897) 1.324 2.373 ( 3.534 0.000 0.437) 3.561 2.375 ( 0.148 -0.000 3.242) 3.245 2.427 ( 0.274 0.000 3.521) 3.532 2.593 ( -0.566 0.000 -10.064) 10.080 3.347 ( -0.319 0.000 0.628) 0.705 3.369 ( -2.218 -0.000 -2.458) 3.311 3.608 ( -0.315 0.000 4.940) 4.950 3.680 ( 1.616 0.000 -1.897) 2.492 3.767 ( -5.164 0.000 5.273) 7.380 3.925 ( 3.469 0.000 -9.733) 10.333 4.153 ( -1.601 0.000 10.536) 10.657 4.335 ( 1.052 0.000 -8.348) 8.414 4.408 ( -1.589 0.000 4.197) 4.488 4.495 ( 2.881 0.000 -4.136) 5.040 4.842 ( -0.652 0.000 0.635) 0.910 4.843 ( 0.094 -0.000 0.237) 0.255 5.307 ( 0.034 0.000 3.915) 3.915 5.389 ( 1.056 0.000 -4.601) 4.721 5.764 ( 2.201 0.000 4.695) 5.186 5.830 ( 1.191 0.000 -2.045) 2.367 5.880 ( -2.300 0.000 1.274) 2.630 5.933 ( -2.871 0.000 -4.205) 5.091 6.206 ( -1.821 0.000 2.351) 2.974 6.252 ( 2.361 0.000 -2.025) 3.110 6.630 ( -0.032 0.000 2.725) 2.725 6.659 ( 0.633 0.000 -0.488) 0.800 7.065 ( -0.533 0.000 -1.019) 1.149 7.078 ( 0.510 0.000 -2.371) 2.426 7.456 ( 1.370 0.000 1.066) 1.736 7.462 ( -1.305 0.000 0.527) 1.408 11.869 ( -1.733 0.000 4.931) 5.227 11.973 ( 2.139 0.000 -5.893) 6.269 12.430 ( 1.226 0.000 1.366) 1.835 12.443 ( -1.630 0.000 0.096) 1.633 13.988 ( 0.043 0.000 0.253) 0.257 13.999 ( 0.137 0.000 -0.809) 0.820 14.653 ( -0.017 0.000 2.634) 2.634 14.704 ( -0.172 0.000 -2.736) 2.741 16.906 ( 0.907 0.000 3.805) 3.911 16.977 ( -0.543 0.000 -3.553) 3.594 17.109 ( -2.175 0.000 6.735) 7.077 17.237 ( 2.009 0.000 -6.605) 6.904 17.502 ( 1.052 0.000 1.347) 1.709 17.532 ( -1.278 0.000 -1.669) 2.102 17.716 ( -0.075 0.000 2.547) 2.548 17.764 ( 0.376 0.000 -2.430) 2.459 19.275 ( -0.234 0.000 2.697) 2.707 19.330 ( -0.049 0.000 -3.007) 3.008 19.559 ( -0.259 0.000 1.694) 1.713 19.595 ( 0.359 0.000 -2.115) 2.145 28.164 ( 1.407 0.000 1.401) 1.986 28.199 ( -1.574 0.000 -2.368) 2.843 28.726 ( 2.120 0.000 1.087) 2.383 28.750 ( -1.805 0.000 -1.442) 2.310 29.592 ( -1.054 0.000 1.758) 2.050 29.636 ( 1.185 0.000 -2.755) 2.999 30.147 ( -1.099 0.000 4.336) 4.473 30.248 ( 1.189 0.000 -6.174) 6.288 32.310 ( -0.853 0.000 6.552) 6.607 32.437 ( 0.733 0.000 -6.653) 6.693 34.314 ( -2.296 0.000 26.414) 26.513 34.820 ( 3.603 0.000 -26.055) 26.303 35.542 ( -2.672 0.000 4.289) 5.054 35.615 ( 1.588 0.000 -3.241) 3.609 35.878 ( -2.498 0.000 2.112) 3.271 35.928 ( 2.272 0.000 -2.895) 3.680 ======================= Grid point 241 (128/132) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.331 0.000 3.260) 4.007 1.613 ( 0.481 0.000 -6.454) 6.472 2.043 ( 0.415 0.000 4.392) 4.412 2.189 ( 3.638 0.000 -2.302) 4.305 2.309 ( -5.414 0.000 2.429) 5.934 2.329 ( 1.831 0.000 -1.589) 2.424 2.390 ( 1.383 0.000 0.383) 1.435 2.455 ( 5.137 0.000 -1.492) 5.349 2.507 ( 7.265 0.000 1.367) 7.393 2.537 ( -3.215 0.000 -8.509) 9.096 3.353 ( 0.682 0.000 0.386) 0.784 3.399 ( 4.954 -0.000 2.120) 5.389 3.579 ( -3.310 0.000 3.883) 5.102 3.649 ( -5.034 0.000 -2.496) 5.619 3.712 ( -0.427 0.000 6.300) 6.314 3.991 ( 4.843 0.000 -7.588) 9.002 4.145 ( -1.339 0.000 10.344) 10.430 4.336 ( 0.177 0.000 -7.341) 7.344 4.373 ( -2.390 0.000 2.948) 3.795 4.525 ( 1.323 0.000 -5.407) 5.566 4.853 ( 1.318 0.000 1.929) 2.336 4.880 ( 3.432 -0.000 0.064) 3.432 5.314 ( 0.201 0.000 2.558) 2.566 5.407 ( 1.691 0.000 -4.944) 5.225 5.701 ( -7.626 0.000 2.226) 7.944 5.720 ( -9.004 0.000 -4.223) 9.945 5.891 ( 1.520 0.000 4.007) 4.285 5.929 ( 0.505 0.000 -0.947) 1.073 6.163 ( -2.641 0.000 2.465) 3.613 6.273 ( 0.069 0.000 -2.501) 2.502 6.675 ( 3.758 0.000 1.937) 4.227 6.707 ( 3.936 0.000 -0.099) 3.937 7.060 ( 0.260 0.000 -1.274) 1.300 7.082 ( 0.196 0.000 -1.885) 1.895 7.431 ( -1.678 0.000 0.368) 1.718 7.475 ( 0.213 0.000 0.754) 0.784 11.823 ( -3.509 0.000 4.831) 5.971 11.971 ( -1.194 0.000 -6.264) 6.377 12.441 ( 1.362 0.000 0.350) 1.406 12.473 ( 2.486 0.000 1.488) 2.898 13.981 ( -0.754 0.000 0.220) 0.786 13.993 ( -0.479 0.000 -1.014) 1.121 14.663 ( 0.506 0.000 2.690) 2.737 14.702 ( 0.430 0.000 -2.446) 2.483 16.930 ( 0.783 0.000 3.582) 3.667 16.966 ( 0.117 0.000 -3.923) 3.925 17.073 ( -2.645 0.000 6.914) 7.403 17.252 ( 0.685 0.000 -6.477) 6.513 17.496 ( -1.772 0.000 -1.362) 2.235 17.512 ( -0.375 0.000 1.379) 1.429 17.714 ( -0.616 0.000 2.168) 2.254 17.758 ( -0.410 0.000 -2.403) 2.438 19.302 ( 2.441 0.000 2.738) 3.668 19.346 ( 2.133 0.000 -2.438) 3.240 19.545 ( -1.519 0.000 1.706) 2.284 19.589 ( -0.599 0.000 -2.376) 2.451 28.162 ( -1.639 0.000 -1.874) 2.490 28.187 ( 0.506 0.000 1.385) 1.475 28.713 ( -1.410 0.000 -1.402) 1.989 28.764 ( 1.392 0.000 0.532) 1.490 29.585 ( 0.061 0.000 1.753) 1.754 29.659 ( 1.566 0.000 -2.852) 3.253 30.135 ( -0.852 0.000 4.425) 4.506 30.256 ( 0.785 0.000 -6.064) 6.114 32.333 ( 1.829 0.000 7.217) 7.445 32.479 ( 4.639 0.000 -7.225) 8.586 34.282 ( -5.618 0.000 24.904) 25.530 34.785 ( -2.209 0.000 -26.543) 26.635 35.533 ( 0.936 -0.000 4.037) 4.144 35.661 ( 3.601 0.000 -1.203) 3.796 35.826 ( -3.202 0.000 1.709) 3.630 35.946 ( 0.004 0.000 -2.261) 2.261 ======================= Grid point 243 (129/132) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.894 0.000 2.947) 3.080 1.631 ( 2.590 -0.000 -5.634) 6.201 2.082 ( 1.599 0.000 7.775) 7.938 2.200 ( -4.521 -0.000 0.736) 4.580 2.233 ( 1.055 0.000 -1.747) 2.041 2.334 ( -2.636 0.000 -5.211) 5.840 2.414 ( 0.889 0.000 0.435) 0.990 2.472 ( 0.944 0.000 -8.560) 8.612 2.581 ( 6.119 0.000 1.210) 6.238 2.648 ( 5.938 0.000 -0.168) 5.941 3.379 ( 1.431 0.000 2.376) 2.774 3.484 ( 1.879 -0.000 -3.161) 3.677 3.515 ( -3.432 0.000 2.950) 4.526 3.557 ( -2.923 0.000 -0.231) 2.933 3.752 ( 3.893 0.000 8.461) 9.314 4.071 ( 4.284 0.000 -7.269) 8.437 4.123 ( -2.916 0.000 8.943) 9.407 4.306 ( -2.002 -0.000 -5.711) 6.052 4.351 ( 0.039 0.000 3.945) 3.946 4.532 ( 0.399 0.000 -6.323) 6.336 4.895 ( 2.575 0.000 2.500) 3.589 4.948 ( 2.924 0.000 -0.066) 2.924 5.325 ( 0.464 0.000 2.455) 2.498 5.431 ( 1.360 0.000 -5.119) 5.297 5.547 ( -8.260 0.000 2.824) 8.729 5.551 ( -6.355 0.000 -5.114) 8.157 5.915 ( 0.410 0.000 1.896) 1.940 5.927 ( -0.030 -0.000 -0.927) 0.927 6.129 ( -1.234 0.000 3.313) 3.536 6.246 ( -2.243 0.000 -2.536) 3.386 6.752 ( 3.221 0.000 2.615) 4.149 6.781 ( 3.006 0.000 0.922) 3.145 7.069 ( 1.001 0.000 -2.346) 2.550 7.078 ( -0.202 0.000 -1.632) 1.644 7.411 ( -0.403 0.000 0.831) 0.924 7.466 ( -1.141 0.000 0.094) 1.144 11.773 ( -2.232 0.000 5.160) 5.622 11.922 ( -2.223 0.000 -6.533) 6.901 12.482 ( 2.440 0.000 0.490) 2.489 12.513 ( 1.126 0.000 1.253) 1.685 13.965 ( -0.827 0.000 0.371) 0.907 13.981 ( -0.496 0.000 -1.248) 1.343 14.676 ( 0.283 0.000 2.452) 2.468 14.710 ( 0.791 0.000 -2.136) 2.278 16.937 ( -1.065 0.000 3.790) 3.937 16.970 ( 1.014 0.000 -3.994) 4.121 17.049 ( -0.633 0.000 7.041) 7.069 17.237 ( -0.932 0.000 -6.608) 6.674 17.474 ( -0.188 0.000 -1.031) 1.048 17.496 ( -1.377 0.000 0.955) 1.676 17.704 ( -0.654 0.000 2.002) 2.107 17.744 ( -0.557 0.000 -1.990) 2.066 19.367 ( 3.634 0.000 2.227) 4.262 19.394 ( 2.901 0.000 -1.480) 3.257 19.508 ( -2.659 0.000 1.959) 3.303 19.565 ( -1.272 0.000 -3.125) 3.374 28.140 ( -0.171 0.000 -0.943) 0.958 28.183 ( -1.110 0.000 0.457) 1.200 28.703 ( 0.564 0.000 -0.328) 0.652 28.773 ( -0.505 0.000 -0.560) 0.755 29.599 ( 0.953 0.000 1.906) 2.131 29.676 ( 0.643 0.000 -3.052) 3.119 30.134 ( -0.122 0.000 4.475) 4.476 30.255 ( 0.166 0.000 -5.984) 5.986 32.390 ( 2.184 0.000 8.545) 8.819 32.565 ( 5.087 0.000 -8.812) 10.175 34.208 ( -5.949 0.000 23.227) 23.977 34.670 ( -3.914 0.000 -24.198) 24.513 35.588 ( 3.972 0.000 2.525) 4.706 35.735 ( 2.362 0.000 2.248) 3.261 35.772 ( -1.062 0.000 -1.527) 1.860 35.918 ( -2.641 0.000 -1.371) 2.976 ======================= Grid point 245 (130/132) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.927 0.000 2.583) 3.903 1.680 ( 2.882 0.000 -4.451) 5.303 2.100 ( 0.284 0.000 7.939) 7.944 2.193 ( 1.699 0.000 3.604) 3.985 2.210 ( -2.398 -0.000 -3.445) 4.197 2.271 ( -2.061 0.000 -3.898) 4.410 2.418 ( -0.641 0.000 0.530) 0.832 2.475 ( -0.251 0.000 -6.143) 6.148 2.677 ( 3.052 0.000 0.061) 3.052 2.692 ( -1.494 -0.000 -1.075) 1.840 3.408 ( 0.837 0.000 2.794) 2.916 3.471 ( -0.495 0.000 -2.985) 3.025 3.486 ( 0.464 0.000 2.314) 2.360 3.536 ( 0.040 0.000 -3.535) 3.535 3.869 ( 4.880 0.000 9.734) 10.889 4.041 ( -4.139 0.000 -5.496) 6.880 4.143 ( 1.856 0.000 4.405) 4.780 4.256 ( -1.337 0.000 -5.149) 5.320 4.380 ( 1.311 0.000 5.986) 6.128 4.506 ( -2.014 0.000 -6.200) 6.519 4.947 ( 1.824 0.000 1.454) 2.333 4.968 ( -0.858 -0.000 -0.558) 1.023 5.343 ( 0.971 0.000 3.111) 3.259 5.412 ( -1.408 -0.000 -4.496) 4.711 5.424 ( -4.343 0.000 4.237) 6.068 5.519 ( 3.170 0.000 -5.579) 6.417 5.922 ( 0.422 0.000 -0.401) 0.582 5.938 ( 1.663 -0.000 -2.176) 2.739 6.136 ( 1.251 0.000 4.134) 4.319 6.197 ( -1.902 0.000 -2.180) 2.894 6.785 ( -0.631 0.000 4.048) 4.097 6.806 ( -0.746 0.000 1.577) 1.745 7.072 ( 0.047 0.000 -2.146) 2.147 7.085 ( 1.030 0.000 -3.187) 3.349 7.421 ( 1.178 0.000 1.433) 1.854 7.439 ( -1.437 0.000 -0.305) 1.469 11.765 ( 0.424 0.000 5.531) 5.547 11.881 ( -0.554 0.000 -6.531) 6.555 12.515 ( -1.107 0.000 0.951) 1.459 12.520 ( 1.152 0.000 0.473) 1.246 13.956 ( -0.143 0.000 0.559) 0.577 13.974 ( 0.076 0.000 -1.271) 1.273 14.679 ( -0.405 0.000 2.158) 2.196 14.720 ( 0.601 0.000 -2.119) 2.203 16.910 ( -2.061 0.000 4.480) 4.931 16.988 ( 1.425 0.000 -3.581) 3.855 17.072 ( 1.284 0.000 6.746) 6.867 17.204 ( -0.997 0.000 -6.910) 6.981 17.471 ( -1.185 0.000 0.539) 1.302 17.485 ( 1.416 0.000 -0.958) 1.710 17.699 ( -0.220 0.000 2.085) 2.096 17.735 ( -0.003 0.000 -1.671) 1.671 19.422 ( -0.380 0.000 0.510) 0.636 19.432 ( 0.693 0.000 -0.641) 0.944 19.468 ( 0.095 0.000 3.376) 3.377 19.540 ( -0.096 0.000 -4.051) 4.053 28.153 ( 1.572 0.000 -0.313) 1.603 28.155 ( -1.507 0.000 -0.277) 1.532 28.728 ( 1.837 0.000 0.540) 1.915 28.747 ( -1.830 0.000 -1.262) 2.224 29.620 ( 0.697 0.000 2.040) 2.155 29.670 ( -0.611 0.000 -3.157) 3.216 30.145 ( 0.302 0.000 4.424) 4.434 30.244 ( -0.066 0.000 -6.016) 6.017 32.425 ( -0.566 0.000 9.207) 9.224 32.609 ( 0.803 0.000 -9.907) 9.940 34.165 ( -2.418 0.000 22.961) 23.088 34.596 ( 1.198 0.000 -21.767) 21.800 35.681 ( 5.081 0.000 0.813) 5.146 35.694 ( -3.260 0.000 -0.331) 3.277 35.835 ( 3.975 0.000 0.114) 3.976 35.843 ( -4.793 -0.000 -0.561) 4.825 ======================= Grid point 247 (131/132) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -3.121 0.000 2.795) 4.190 1.702 ( -0.015 0.000 -4.710) 4.710 2.132 ( 0.013 0.000 7.869) 7.869 2.170 ( -2.474 0.000 0.643) 2.556 2.235 ( 2.730 -0.000 5.157) 5.835 2.237 ( 0.957 0.000 -5.601) 5.682 2.390 ( -2.200 0.000 0.459) 2.247 2.445 ( -1.868 0.000 -2.869) 3.423 2.606 ( -6.555 0.000 -1.035) 6.636 2.681 ( -2.061 0.000 -3.566) 4.119 3.429 ( 0.940 0.000 2.747) 2.903 3.451 ( -1.697 0.000 -3.770) 4.134 3.525 ( 2.399 0.000 1.604) 2.886 3.560 ( 3.221 0.000 -2.815) 4.278 3.910 ( -2.415 0.000 8.731) 9.059 3.952 ( -3.114 0.000 -10.506) 10.958 4.170 ( -0.195 0.000 8.112) 8.114 4.275 ( 4.103 0.000 -6.273) 7.496 4.405 ( 0.192 0.000 6.039) 6.042 4.449 ( -2.185 0.000 -5.314) 5.745 4.927 ( -2.933 0.000 -0.667) 3.008 4.941 ( -2.607 -0.000 0.678) 2.694 5.322 ( -2.693 0.000 6.084) 6.653 5.391 ( -0.181 0.000 -4.859) 4.862 5.478 ( 7.828 0.000 2.673) 8.272 5.605 ( 6.409 0.000 -3.404) 7.257 5.928 ( 0.235 0.000 -1.012) 1.039 5.978 ( 2.587 0.000 -4.561) 5.243 6.179 ( 1.971 0.000 4.360) 4.785 6.180 ( 0.569 -0.000 -1.857) 1.942 6.745 ( -4.064 0.000 4.746) 6.249 6.762 ( -3.733 0.000 1.203) 3.922 7.072 ( 0.289 0.000 -2.640) 2.656 7.091 ( 0.074 0.000 -2.705) 2.706 7.420 ( -0.337 0.000 -0.037) 0.339 7.451 ( 1.439 0.000 1.530) 2.100 11.805 ( 2.420 0.000 5.646) 6.142 11.883 ( 1.926 0.000 -6.240) 6.531 12.479 ( -2.597 0.000 0.811) 2.720 12.522 ( -0.990 0.000 0.297) 1.033 13.963 ( 0.669 0.000 0.600) 0.899 13.979 ( 0.652 0.000 -1.069) 1.253 14.670 ( -0.937 0.000 2.101) 2.301 14.723 ( 0.060 0.000 -2.405) 2.406 16.887 ( -1.050 0.000 4.535) 4.655 17.002 ( 0.511 0.000 -3.013) 3.056 17.108 ( 0.975 0.000 6.800) 6.870 17.187 ( 0.803 0.000 -7.253) 7.297 17.460 ( 0.051 0.000 0.451) 0.454 17.516 ( 1.852 0.000 -1.193) 2.203 17.702 ( 0.096 0.000 2.396) 2.398 17.739 ( 0.755 0.000 -1.705) 1.864 19.365 ( -3.899 0.000 1.544) 4.194 19.408 ( -2.412 0.000 -1.925) 3.086 19.513 ( 2.258 0.000 2.291) 3.216 19.556 ( 1.848 0.000 -3.069) 3.582 28.134 ( -0.480 0.000 -0.118) 0.494 28.191 ( 2.106 0.000 -0.567) 2.181 28.709 ( -1.576 0.000 -0.941) 1.836 28.762 ( 1.388 0.000 0.389) 1.441 29.627 ( -0.433 0.000 2.057) 2.102 29.648 ( -0.995 0.000 -3.107) 3.262 30.156 ( -0.007 0.000 4.349) 4.349 30.235 ( 0.355 0.000 -6.144) 6.154 32.399 ( -3.533 0.000 8.404) 9.116 32.561 ( -3.519 0.000 -9.165) 9.817 34.200 ( 1.313 0.000 24.577) 24.612 34.642 ( 7.078 0.000 -21.785) 22.906 35.638 ( -2.117 0.000 -2.555) 3.318 35.718 ( -4.934 -0.000 2.482) 5.524 35.797 ( 3.780 0.000 -2.588) 4.581 35.893 ( 1.867 0.000 1.047) 2.140 ======================= Grid point 249 (132/132) ======================= q-point: (-0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 8.27e-07 8.27e-07 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.474 0.000 3.182) 3.217 1.672 ( -1.670 0.000 -5.711) 5.950 2.106 ( -3.094 0.000 5.299) 6.136 2.118 ( -1.529 0.000 -2.551) 2.974 2.295 ( 4.119 0.000 0.907) 4.218 2.318 ( 3.656 0.000 4.294) 5.640 2.353 ( -1.264 0.000 2.512) 2.812 2.393 ( -3.362 0.000 -0.024) 3.362 2.478 ( -5.699 0.000 0.423) 5.714 2.623 ( -1.722 0.000 -8.708) 8.876 3.393 ( -3.340 0.000 -2.548) 4.201 3.424 ( -2.152 0.000 -1.037) 2.389 3.576 ( 2.407 0.000 3.768) 4.471 3.629 ( 3.847 0.000 -1.976) 4.325 3.849 ( -4.613 0.000 6.568) 8.026 3.905 ( 0.442 0.000 -11.610) 11.619 4.167 ( -1.622 0.000 10.161) 10.290 4.328 ( 1.772 0.000 -8.497) 8.680 4.415 ( -0.211 0.000 5.282) 5.286 4.440 ( 2.562 0.000 -3.331) 4.202 4.870 ( -2.565 0.000 -0.021) 2.565 4.879 ( -3.148 -0.000 0.275) 3.160 5.301 ( -0.688 0.000 5.949) 5.989 5.384 ( 0.356 0.000 -4.891) 4.904 5.648 ( 8.161 0.000 3.398) 8.841 5.735 ( 7.056 0.000 -1.612) 7.237 5.920 ( -1.195 0.000 -0.099) 1.199 5.992 ( -0.666 0.000 -6.196) 6.232 6.207 ( 2.356 0.000 -1.831) 2.984 6.212 ( 0.583 -0.000 3.610) 3.657 6.668 ( -4.138 0.000 4.137) 5.851 6.689 ( -3.409 -0.000 0.238) 3.418 7.074 ( 0.405 -0.000 -2.641) 2.672 7.080 ( -0.695 0.000 -1.633) 1.775 7.428 ( 1.122 0.000 0.677) 1.310 7.471 ( 0.230 0.000 1.088) 1.112 11.859 ( 1.688 0.000 5.391) 5.649 11.926 ( 3.396 0.000 -5.890) 6.799 12.434 ( -1.773 0.000 0.975) 2.024 12.487 ( -2.501 0.000 0.078) 2.502 13.979 ( 0.784 0.000 0.446) 0.902 13.992 ( 0.694 0.000 -0.842) 1.091 14.656 ( -0.773 0.000 2.338) 2.462 14.715 ( -0.350 0.000 -2.711) 2.734 16.887 ( 0.202 0.000 4.183) 4.188 16.995 ( -0.545 0.000 -3.114) 3.161 17.124 ( -0.631 0.000 6.798) 6.828 17.206 ( 2.248 0.000 -7.009) 7.361 17.475 ( 1.319 0.000 0.841) 1.564 17.541 ( 0.701 0.000 -1.605) 1.751 17.710 ( 0.171 0.000 2.712) 2.717 17.754 ( 0.982 0.000 -2.053) 2.276 19.301 ( -2.837 0.000 2.232) 3.610 19.357 ( -2.079 0.000 -2.913) 3.578 19.548 ( 1.042 0.000 1.850) 2.123 19.583 ( 1.324 0.000 -2.302) 2.655 28.139 ( 0.856 0.000 0.653) 1.076 28.216 ( 0.432 0.000 -1.708) 1.762 28.696 ( 0.475 0.000 0.335) 0.582 28.774 ( -0.314 0.000 -0.539) 0.624 29.613 ( -1.292 0.000 1.928) 2.321 29.630 ( -0.124 0.000 -2.905) 2.908 30.157 ( -0.680 0.000 4.310) 4.363 30.237 ( 0.990 0.000 -6.222) 6.300 32.341 ( -3.453 0.000 7.090) 7.886 32.475 ( -3.140 0.000 -7.523) 8.153 34.276 ( 1.103 0.000 26.343) 26.366 34.751 ( 7.704 0.000 -23.752) 24.970 35.609 ( -0.261 0.000 -3.816) 3.825 35.615 ( -5.391 -0.000 3.358) 6.351 35.873 ( 3.930 0.000 -2.946) 4.912 35.906 ( -0.639 0.000 1.659) 1.777 =================== 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 3/30240 10.0 147.895 131.605 121.667 0.000 16.160 0.000 3/30240 20.0 19.680 26.868 22.464 0.000 0.434 0.000 3/30240 30.0 8.221 13.117 11.070 0.000 -0.153 0.000 3/30240 40.0 4.956 8.252 7.037 0.000 -0.145 0.000 3/30240 50.0 3.514 5.936 5.092 0.000 -0.112 0.000 3/30240 60.0 2.724 4.628 3.979 0.000 -0.088 0.000 3/30240 70.0 2.233 3.800 3.271 0.000 -0.072 0.000 3/30240 80.0 1.899 3.233 2.783 0.000 -0.061 0.000 3/30240 90.0 1.657 2.820 2.428 0.000 -0.053 0.000 3/30240 100.0 1.474 2.505 2.159 0.000 -0.047 0.000 3/30240 110.0 1.330 2.256 1.947 0.000 -0.043 0.000 3/30240 120.0 1.214 2.055 1.777 0.000 -0.040 0.000 3/30240 130.0 1.118 1.889 1.637 0.000 -0.037 0.000 3/30240 140.0 1.037 1.750 1.520 0.000 -0.035 0.000 3/30240 150.0 0.969 1.631 1.421 0.000 -0.033 0.000 3/30240 160.0 0.910 1.529 1.336 0.000 -0.032 0.000 3/30240 170.0 0.859 1.441 1.263 0.000 -0.031 0.000 3/30240 180.0 0.814 1.365 1.199 0.000 -0.030 0.000 3/30240 190.0 0.775 1.298 1.142 0.000 -0.029 0.000 3/30240 200.0 0.740 1.239 1.092 0.000 -0.029 0.000 3/30240 210.0 0.709 1.187 1.047 0.000 -0.028 0.000 3/30240 220.0 0.681 1.141 1.007 0.000 -0.028 0.000 3/30240 230.0 0.656 1.101 0.971 0.000 -0.028 0.000 3/30240 240.0 0.634 1.065 0.938 0.000 -0.028 0.000 3/30240 250.0 0.614 1.032 0.909 0.000 -0.028 0.000 3/30240 260.0 0.595 1.003 0.881 0.000 -0.028 0.000 3/30240 270.0 0.579 0.977 0.856 0.000 -0.029 0.000 3/30240 280.0 0.563 0.954 0.834 0.000 -0.029 0.000 3/30240 290.0 0.549 0.933 0.812 0.000 -0.029 0.000 3/30240 300.0 0.536 0.913 0.792 0.000 -0.030 0.000 3/30240 310.0 0.524 0.895 0.774 0.000 -0.030 0.000 3/30240 320.0 0.513 0.879 0.757 0.000 -0.030 0.000 3/30240 330.0 0.503 0.863 0.741 0.000 -0.031 0.000 3/30240 340.0 0.493 0.849 0.726 0.000 -0.031 0.000 3/30240 350.0 0.484 0.836 0.711 0.000 -0.032 0.000 3/30240 360.0 0.476 0.824 0.698 0.000 -0.032 0.000 3/30240 370.0 0.468 0.812 0.685 0.000 -0.032 0.000 3/30240 380.0 0.460 0.801 0.672 0.000 -0.033 0.000 3/30240 390.0 0.453 0.790 0.661 0.000 -0.033 0.000 3/30240 400.0 0.446 0.780 0.649 0.000 -0.033 0.000 3/30240 410.0 0.439 0.770 0.639 0.000 -0.034 0.000 3/30240 420.0 0.433 0.761 0.628 0.000 -0.034 0.000 3/30240 430.0 0.427 0.752 0.618 0.000 -0.034 0.000 3/30240 440.0 0.421 0.743 0.609 0.000 -0.034 0.000 3/30240 450.0 0.416 0.734 0.600 0.000 -0.035 0.000 3/30240 460.0 0.410 0.726 0.591 0.000 -0.035 0.000 3/30240 470.0 0.405 0.718 0.582 0.000 -0.035 0.000 3/30240 480.0 0.400 0.710 0.574 0.000 -0.035 0.000 3/30240 490.0 0.395 0.703 0.566 0.000 -0.035 0.000 3/30240 500.0 0.391 0.695 0.558 0.000 -0.035 0.000 3/30240 510.0 0.386 0.688 0.550 0.000 -0.035 0.000 3/30240 520.0 0.381 0.680 0.543 0.000 -0.035 0.000 3/30240 530.0 0.377 0.673 0.536 0.000 -0.036 0.000 3/30240 540.0 0.373 0.666 0.529 0.000 -0.036 0.000 3/30240 550.0 0.369 0.660 0.522 0.000 -0.036 0.000 3/30240 560.0 0.365 0.653 0.515 0.000 -0.036 0.000 3/30240 570.0 0.361 0.646 0.509 0.000 -0.036 0.000 3/30240 580.0 0.357 0.640 0.502 0.000 -0.036 0.000 3/30240 590.0 0.353 0.633 0.496 0.000 -0.035 0.000 3/30240 600.0 0.349 0.627 0.490 0.000 -0.035 0.000 3/30240 610.0 0.345 0.621 0.484 0.000 -0.035 0.000 3/30240 620.0 0.342 0.615 0.478 0.000 -0.035 0.000 3/30240 630.0 0.338 0.609 0.473 0.000 -0.035 0.000 3/30240 640.0 0.335 0.603 0.467 0.000 -0.035 0.000 3/30240 650.0 0.331 0.597 0.462 0.000 -0.035 0.000 3/30240 660.0 0.328 0.591 0.457 0.000 -0.035 0.000 3/30240 670.0 0.325 0.586 0.451 0.000 -0.035 0.000 3/30240 680.0 0.322 0.580 0.446 0.000 -0.035 0.000 3/30240 690.0 0.318 0.574 0.441 0.000 -0.035 0.000 3/30240 700.0 0.315 0.569 0.437 0.000 -0.034 0.000 3/30240 710.0 0.312 0.564 0.432 0.000 -0.034 0.000 3/30240 720.0 0.309 0.558 0.427 0.000 -0.034 0.000 3/30240 730.0 0.306 0.553 0.423 0.000 -0.034 0.000 3/30240 740.0 0.303 0.548 0.418 0.000 -0.034 0.000 3/30240 750.0 0.301 0.543 0.414 0.000 -0.034 0.000 3/30240 760.0 0.298 0.538 0.409 0.000 -0.034 0.000 3/30240 770.0 0.295 0.533 0.405 0.000 -0.033 0.000 3/30240 780.0 0.292 0.528 0.401 0.000 -0.033 0.000 3/30240 790.0 0.290 0.524 0.397 0.000 -0.033 0.000 3/30240 800.0 0.287 0.519 0.393 0.000 -0.033 0.000 3/30240 810.0 0.285 0.514 0.389 0.000 -0.033 0.000 3/30240 820.0 0.282 0.510 0.385 0.000 -0.033 0.000 3/30240 830.0 0.279 0.505 0.381 0.000 -0.032 0.000 3/30240 840.0 0.277 0.501 0.378 0.000 -0.032 0.000 3/30240 850.0 0.275 0.497 0.374 0.000 -0.032 0.000 3/30240 860.0 0.272 0.492 0.371 0.000 -0.032 0.000 3/30240 870.0 0.270 0.488 0.367 0.000 -0.032 0.000 3/30240 880.0 0.268 0.484 0.364 0.000 -0.032 0.000 3/30240 890.0 0.265 0.480 0.360 0.000 -0.031 0.000 3/30240 900.0 0.263 0.476 0.357 0.000 -0.031 0.000 3/30240 910.0 0.261 0.472 0.354 0.000 -0.031 0.000 3/30240 920.0 0.259 0.468 0.350 0.000 -0.031 0.000 3/30240 930.0 0.257 0.464 0.347 0.000 -0.031 0.000 3/30240 940.0 0.254 0.460 0.344 0.000 -0.030 0.000 3/30240 950.0 0.252 0.456 0.341 0.000 -0.030 0.000 3/30240 960.0 0.250 0.453 0.338 0.000 -0.030 0.000 3/30240 970.0 0.248 0.449 0.335 0.000 -0.030 0.000 3/30240 980.0 0.246 0.445 0.332 0.000 -0.030 0.000 3/30240 990.0 0.244 0.442 0.329 0.000 -0.030 0.000 3/30240 1000.0 0.242 0.438 0.326 0.000 -0.029 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m6107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:34:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|