----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:52:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.868299170025217 0.000000000000000 0.000000000000000 b 0.000000000000000 5.640734400000000 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): *1 Pr 0.13712197466397 0.73206302335245 0.89270790161292 140.908 2 Pr 0.13712197466397 0.76793697664755 0.39270790161292 140.908 3 Pr 0.86287802533602 0.23206302335245 0.60729209838708 140.908 4 Pr 0.86287802533602 0.26793697664755 0.10729209838708 140.908 *5 Bi 0.33913372207737 0.22705520327207 0.68468932875247 208.980 6 Bi 0.33913372207737 0.27294479672793 0.18468932875247 208.980 7 Bi 0.66086627792263 0.72705520327207 0.81531067124753 208.980 8 Bi 0.66086627792263 0.77294479672793 0.31531067124753 208.980 *9 O 0.42238266778941 0.90030026016790 0.81558664148570 15.999 *10 O 0.33019164255516 0.39040741109222 0.92914099080962 15.999 11 O 0.42238266778941 0.59969973983210 0.31558664148570 15.999 *12 O 0.15758787642478 0.49315912248136 0.62111775598938 15.999 13 O 0.33019164255516 0.10959258890777 0.42914099080962 15.999 14 O 0.15758787642478 0.00684087751864 0.12111775598938 15.999 *15 O 0.11477907418496 0.00648056418974 0.66436652309390 15.999 16 O 0.88522092581504 0.50648056418974 0.83563347690610 15.999 17 O 0.11477907418496 0.49351943581026 0.16436652309390 15.999 18 O 0.88522092581504 0.99351943581026 0.33563347690610 15.999 19 O 0.84241212357522 0.99315912248136 0.87888224401062 15.999 20 O 0.66980835744484 0.89040741109222 0.57085900919038 15.999 21 O 0.84241212357522 0.50684087751864 0.37888224401062 15.999 22 O 0.57761733221059 0.40030026016790 0.68441335851430 15.999 23 O 0.66980835744484 0.60959258890778 0.07085900919038 15.999 24 O 0.57761733221059 0.09969973983210 0.18441335851430 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.868299170025217 0.000000000000000 0.000000000000000 b 0.000000000000000 5.640734400000000 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): *1 Pr 0.13712197466397 0.73206302335245 0.89270790161292 140.908 > 1 2 Pr 0.13712197466397 0.76793697664755 0.39270790161292 140.908 > 2 3 Pr 0.86287802533602 0.23206302335245 0.60729209838708 140.908 > 3 4 Pr 0.86287802533602 0.26793697664755 0.10729209838708 140.908 > 4 *5 Bi 0.33913372207737 0.22705520327207 0.68468932875247 208.980 > 5 6 Bi 0.33913372207737 0.27294479672793 0.18468932875247 208.980 > 6 7 Bi 0.66086627792263 0.72705520327207 0.81531067124753 208.980 > 7 8 Bi 0.66086627792263 0.77294479672793 0.31531067124753 208.980 > 8 *9 O 0.42238266778941 0.90030026016790 0.81558664148570 15.999 > 9 *10 O 0.33019164255516 0.39040741109222 0.92914099080962 15.999 > 10 11 O 0.42238266778941 0.59969973983210 0.31558664148570 15.999 > 11 *12 O 0.15758787642478 0.49315912248136 0.62111775598938 15.999 > 12 13 O 0.33019164255516 0.10959258890777 0.42914099080962 15.999 > 13 14 O 0.15758787642478 0.00684087751864 0.12111775598938 15.999 > 14 *15 O 0.11477907418496 0.00648056418974 0.66436652309390 15.999 > 15 16 O 0.88522092581504 0.50648056418974 0.83563347690610 15.999 > 16 17 O 0.11477907418496 0.49351943581026 0.16436652309390 15.999 > 17 18 O 0.88522092581504 0.99351943581026 0.33563347690610 15.999 > 18 19 O 0.84241212357522 0.99315912248136 0.87888224401062 15.999 > 19 20 O 0.66980835744484 0.89040741109222 0.57085900919038 15.999 > 20 21 O 0.84241212357522 0.50684087751864 0.37888224401062 15.999 > 21 22 O 0.57761733221059 0.40030026016790 0.68441335851430 15.999 > 22 23 O 0.66980835744484 0.60959258890778 0.07085900919038 15.999 > 23 24 O 0.57761733221059 0.09969973983210 0.18441335851430 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.736598340050435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.281468800000001 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): *1 Pr 0.06856098733199 0.36603151167622 0.89270790161292 140.908 > 1 2 Pr 0.56856098733199 0.36603151167622 0.89270790161292 140.908 > 1 3 Pr 0.06856098733199 0.86603151167622 0.89270790161292 140.908 > 1 4 Pr 0.56856098733199 0.86603151167622 0.89270790161292 140.908 > 1 5 Pr 0.06856098733199 0.38396848832378 0.39270790161292 140.908 > 2 6 Pr 0.56856098733199 0.38396848832378 0.39270790161292 140.908 > 2 7 Pr 0.06856098733199 0.88396848832378 0.39270790161292 140.908 > 2 8 Pr 0.56856098733199 0.88396848832378 0.39270790161292 140.908 > 2 9 Pr 0.43143901266801 0.11603151167622 0.60729209838708 140.908 > 3 10 Pr 0.93143901266801 0.11603151167622 0.60729209838708 140.908 > 3 11 Pr 0.43143901266801 0.61603151167622 0.60729209838708 140.908 > 3 12 Pr 0.93143901266801 0.61603151167622 0.60729209838708 140.908 > 3 13 Pr 0.43143901266801 0.13396848832378 0.10729209838708 140.908 > 4 14 Pr 0.93143901266801 0.13396848832378 0.10729209838708 140.908 > 4 15 Pr 0.43143901266801 0.63396848832378 0.10729209838708 140.908 > 4 16 Pr 0.93143901266801 0.63396848832378 0.10729209838708 140.908 > 4 *17 Bi 0.16956686103868 0.11352760163603 0.68468932875247 208.980 > 5 18 Bi 0.66956686103868 0.11352760163603 0.68468932875247 208.980 > 5 19 Bi 0.16956686103868 0.61352760163604 0.68468932875247 208.980 > 5 20 Bi 0.66956686103868 0.61352760163604 0.68468932875247 208.980 > 5 21 Bi 0.16956686103868 0.13647239836396 0.18468932875247 208.980 > 6 22 Bi 0.66956686103868 0.13647239836396 0.18468932875247 208.980 > 6 23 Bi 0.16956686103868 0.63647239836396 0.18468932875247 208.980 > 6 24 Bi 0.66956686103868 0.63647239836396 0.18468932875247 208.980 > 6 25 Bi 0.33043313896132 0.36352760163603 0.81531067124753 208.980 > 7 26 Bi 0.83043313896132 0.36352760163603 0.81531067124753 208.980 > 7 27 Bi 0.33043313896132 0.86352760163603 0.81531067124753 208.980 > 7 28 Bi 0.83043313896132 0.86352760163603 0.81531067124753 208.980 > 7 29 Bi 0.33043313896132 0.38647239836397 0.31531067124753 208.980 > 8 30 Bi 0.83043313896132 0.38647239836397 0.31531067124753 208.980 > 8 31 Bi 0.33043313896132 0.88647239836397 0.31531067124753 208.980 > 8 32 Bi 0.83043313896132 0.88647239836397 0.31531067124753 208.980 > 8 *33 O 0.21119133389471 0.45015013008395 0.81558664148570 15.999 > 9 34 O 0.71119133389471 0.45015013008395 0.81558664148570 15.999 > 9 35 O 0.21119133389471 0.95015013008395 0.81558664148570 15.999 > 9 36 O 0.71119133389471 0.95015013008395 0.81558664148570 15.999 > 9 *37 O 0.16509582127758 0.19520370554611 0.92914099080962 15.999 > 10 38 O 0.66509582127758 0.19520370554611 0.92914099080962 15.999 > 10 39 O 0.16509582127758 0.69520370554611 0.92914099080962 15.999 > 10 40 O 0.66509582127758 0.69520370554611 0.92914099080962 15.999 > 10 41 O 0.21119133389471 0.29984986991605 0.31558664148570 15.999 > 11 42 O 0.71119133389471 0.29984986991605 0.31558664148570 15.999 > 11 43 O 0.21119133389471 0.79984986991605 0.31558664148570 15.999 > 11 44 O 0.71119133389471 0.79984986991605 0.31558664148570 15.999 > 11 *45 O 0.07879393821239 0.24657956124068 0.62111775598938 15.999 > 12 46 O 0.57879393821239 0.24657956124068 0.62111775598938 15.999 > 12 47 O 0.07879393821239 0.74657956124068 0.62111775598938 15.999 > 12 48 O 0.57879393821239 0.74657956124068 0.62111775598938 15.999 > 12 49 O 0.16509582127758 0.05479629445389 0.42914099080962 15.999 > 13 50 O 0.66509582127758 0.05479629445389 0.42914099080962 15.999 > 13 51 O 0.16509582127758 0.55479629445389 0.42914099080962 15.999 > 13 52 O 0.66509582127758 0.55479629445389 0.42914099080962 15.999 > 13 53 O 0.07879393821239 0.00342043875932 0.12111775598938 15.999 > 14 54 O 0.57879393821239 0.00342043875932 0.12111775598938 15.999 > 14 55 O 0.07879393821239 0.50342043875932 0.12111775598938 15.999 > 14 56 O 0.57879393821239 0.50342043875932 0.12111775598938 15.999 > 14 *57 O 0.05738953709248 0.00324028209487 0.66436652309390 15.999 > 15 58 O 0.55738953709248 0.00324028209487 0.66436652309390 15.999 > 15 59 O 0.05738953709248 0.50324028209487 0.66436652309390 15.999 > 15 60 O 0.55738953709248 0.50324028209487 0.66436652309390 15.999 > 15 61 O 0.44261046290752 0.25324028209487 0.83563347690610 15.999 > 16 62 O 0.94261046290752 0.25324028209487 0.83563347690610 15.999 > 16 63 O 0.44261046290752 0.75324028209487 0.83563347690610 15.999 > 16 64 O 0.94261046290752 0.75324028209487 0.83563347690610 15.999 > 16 65 O 0.05738953709248 0.24675971790513 0.16436652309390 15.999 > 17 66 O 0.55738953709248 0.24675971790513 0.16436652309390 15.999 > 17 67 O 0.05738953709248 0.74675971790513 0.16436652309390 15.999 > 17 68 O 0.55738953709248 0.74675971790513 0.16436652309390 15.999 > 17 69 O 0.44261046290752 0.49675971790513 0.33563347690610 15.999 > 18 70 O 0.94261046290752 0.49675971790513 0.33563347690610 15.999 > 18 71 O 0.44261046290752 0.99675971790513 0.33563347690610 15.999 > 18 72 O 0.94261046290752 0.99675971790513 0.33563347690610 15.999 > 18 73 O 0.42120606178761 0.49657956124068 0.87888224401062 15.999 > 19 74 O 0.92120606178761 0.49657956124068 0.87888224401062 15.999 > 19 75 O 0.42120606178761 0.99657956124068 0.87888224401062 15.999 > 19 76 O 0.92120606178761 0.99657956124068 0.87888224401062 15.999 > 19 77 O 0.33490417872242 0.44520370554611 0.57085900919038 15.999 > 20 78 O 0.83490417872242 0.44520370554611 0.57085900919038 15.999 > 20 79 O 0.33490417872242 0.94520370554611 0.57085900919038 15.999 > 20 80 O 0.83490417872242 0.94520370554611 0.57085900919038 15.999 > 20 81 O 0.42120606178761 0.25342043875932 0.37888224401062 15.999 > 21 82 O 0.92120606178761 0.25342043875932 0.37888224401062 15.999 > 21 83 O 0.42120606178761 0.75342043875932 0.37888224401062 15.999 > 21 84 O 0.92120606178761 0.75342043875932 0.37888224401062 15.999 > 21 85 O 0.28880866610529 0.20015013008395 0.68441335851430 15.999 > 22 86 O 0.78880866610529 0.20015013008395 0.68441335851430 15.999 > 22 87 O 0.28880866610529 0.70015013008395 0.68441335851430 15.999 > 22 88 O 0.78880866610529 0.70015013008395 0.68441335851430 15.999 > 22 89 O 0.33490417872242 0.30479629445389 0.07085900919038 15.999 > 23 90 O 0.83490417872242 0.30479629445389 0.07085900919038 15.999 > 23 91 O 0.33490417872242 0.80479629445389 0.07085900919038 15.999 > 23 92 O 0.83490417872242 0.80479629445389 0.07085900919038 15.999 > 23 93 O 0.28880866610529 0.04984986991605 0.18441335851430 15.999 > 24 94 O 0.78880866610529 0.04984986991605 0.18441335851430 15.999 > 24 95 O 0.28880866610529 0.54984986991605 0.18441335851430 15.999 > 24 96 O 0.78880866610529 0.54984986991605 0.18441335851430 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5547071 0.0000000 0.4010305 0.0000000 6.2895135 0.0000000 0.4010319 0.0000000 6.8803927 -------------------------- Born effective charges -------------------------- 1 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 2 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 3 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 4 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 5 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 6 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 7 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 8 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 9 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 10 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 11 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 12 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 13 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 14 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 15 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 16 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 17 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 18 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 19 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 20 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 21 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 22 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 23 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 24 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.820 Solver_block: 200 / 720 - Time: 0.651 Solver_block: 300 / 720 - Time: 0.647 Solver_block: 400 / 720 - Time: 0.648 Solver_block: 500 / 720 - Time: 0.660 Solver_block: 600 / 720 - Time: 0.646 Solver_block: 700 / 720 - Time: 0.664 Solver_block: 720 / 720 - Time: 0.233 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.079 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 66), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:53:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:53:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.868299170025217 0.000000000000000 0.000000000000000 b 0.000000000000000 5.640734400000000 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): 1 Pr 0.13712197466397 0.73206302335245 0.89270790161292 140.908 2 Pr 0.13712197466397 0.76793697664755 0.39270790161292 140.908 3 Pr 0.86287802533602 0.23206302335245 0.60729209838708 140.908 4 Pr 0.86287802533602 0.26793697664755 0.10729209838708 140.908 5 Bi 0.33913372207737 0.22705520327207 0.68468932875247 208.980 6 Bi 0.33913372207737 0.27294479672793 0.18468932875247 208.980 7 Bi 0.66086627792263 0.72705520327207 0.81531067124753 208.980 8 Bi 0.66086627792263 0.77294479672793 0.31531067124753 208.980 9 O 0.42238266778941 0.90030026016790 0.81558664148570 15.999 10 O 0.33019164255516 0.39040741109222 0.92914099080962 15.999 11 O 0.42238266778941 0.59969973983210 0.31558664148570 15.999 12 O 0.15758787642478 0.49315912248136 0.62111775598938 15.999 13 O 0.33019164255516 0.10959258890777 0.42914099080962 15.999 14 O 0.15758787642478 0.00684087751864 0.12111775598938 15.999 15 O 0.11477907418496 0.00648056418974 0.66436652309390 15.999 16 O 0.88522092581504 0.50648056418974 0.83563347690610 15.999 17 O 0.11477907418496 0.49351943581026 0.16436652309390 15.999 18 O 0.88522092581504 0.99351943581026 0.33563347690610 15.999 19 O 0.84241212357522 0.99315912248136 0.87888224401062 15.999 20 O 0.66980835744484 0.89040741109222 0.57085900919038 15.999 21 O 0.84241212357522 0.50684087751864 0.37888224401062 15.999 22 O 0.57761733221059 0.40030026016790 0.68441335851430 15.999 23 O 0.66980835744484 0.60959258890778 0.07085900919038 15.999 24 O 0.57761733221059 0.09969973983210 0.18441335851430 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.736598340050435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.281468800000001 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): 1 Pr 0.06856098733199 0.36603151167622 0.89270790161292 140.908 > 1 2 Pr 0.56856098733199 0.36603151167622 0.89270790161292 140.908 > 1 3 Pr 0.06856098733199 0.86603151167622 0.89270790161292 140.908 > 1 4 Pr 0.56856098733199 0.86603151167622 0.89270790161292 140.908 > 1 5 Pr 0.06856098733199 0.38396848832378 0.39270790161292 140.908 > 5 6 Pr 0.56856098733199 0.38396848832378 0.39270790161292 140.908 > 5 7 Pr 0.06856098733199 0.88396848832378 0.39270790161292 140.908 > 5 8 Pr 0.56856098733199 0.88396848832378 0.39270790161292 140.908 > 5 9 Pr 0.43143901266801 0.11603151167622 0.60729209838708 140.908 > 9 10 Pr 0.93143901266801 0.11603151167622 0.60729209838708 140.908 > 9 11 Pr 0.43143901266801 0.61603151167622 0.60729209838708 140.908 > 9 12 Pr 0.93143901266801 0.61603151167622 0.60729209838708 140.908 > 9 13 Pr 0.43143901266801 0.13396848832378 0.10729209838708 140.908 > 13 14 Pr 0.93143901266801 0.13396848832378 0.10729209838708 140.908 > 13 15 Pr 0.43143901266801 0.63396848832378 0.10729209838708 140.908 > 13 16 Pr 0.93143901266801 0.63396848832378 0.10729209838708 140.908 > 13 17 Bi 0.16956686103868 0.11352760163603 0.68468932875247 208.980 > 17 18 Bi 0.66956686103868 0.11352760163603 0.68468932875247 208.980 > 17 19 Bi 0.16956686103868 0.61352760163604 0.68468932875247 208.980 > 17 20 Bi 0.66956686103868 0.61352760163604 0.68468932875247 208.980 > 17 21 Bi 0.16956686103868 0.13647239836396 0.18468932875247 208.980 > 21 22 Bi 0.66956686103868 0.13647239836396 0.18468932875247 208.980 > 21 23 Bi 0.16956686103868 0.63647239836396 0.18468932875247 208.980 > 21 24 Bi 0.66956686103868 0.63647239836396 0.18468932875247 208.980 > 21 25 Bi 0.33043313896132 0.36352760163603 0.81531067124753 208.980 > 25 26 Bi 0.83043313896132 0.36352760163603 0.81531067124753 208.980 > 25 27 Bi 0.33043313896132 0.86352760163603 0.81531067124753 208.980 > 25 28 Bi 0.83043313896132 0.86352760163603 0.81531067124753 208.980 > 25 29 Bi 0.33043313896132 0.38647239836397 0.31531067124753 208.980 > 29 30 Bi 0.83043313896132 0.38647239836397 0.31531067124753 208.980 > 29 31 Bi 0.33043313896132 0.88647239836397 0.31531067124753 208.980 > 29 32 Bi 0.83043313896132 0.88647239836397 0.31531067124753 208.980 > 29 33 O 0.21119133389471 0.45015013008395 0.81558664148570 15.999 > 33 34 O 0.71119133389471 0.45015013008395 0.81558664148570 15.999 > 33 35 O 0.21119133389471 0.95015013008395 0.81558664148570 15.999 > 33 36 O 0.71119133389471 0.95015013008395 0.81558664148570 15.999 > 33 37 O 0.16509582127758 0.19520370554611 0.92914099080962 15.999 > 37 38 O 0.66509582127758 0.19520370554611 0.92914099080962 15.999 > 37 39 O 0.16509582127758 0.69520370554611 0.92914099080962 15.999 > 37 40 O 0.66509582127758 0.69520370554611 0.92914099080962 15.999 > 37 41 O 0.21119133389471 0.29984986991605 0.31558664148570 15.999 > 41 42 O 0.71119133389471 0.29984986991605 0.31558664148570 15.999 > 41 43 O 0.21119133389471 0.79984986991605 0.31558664148570 15.999 > 41 44 O 0.71119133389471 0.79984986991605 0.31558664148570 15.999 > 41 45 O 0.07879393821239 0.24657956124068 0.62111775598938 15.999 > 45 46 O 0.57879393821239 0.24657956124068 0.62111775598938 15.999 > 45 47 O 0.07879393821239 0.74657956124068 0.62111775598938 15.999 > 45 48 O 0.57879393821239 0.74657956124068 0.62111775598938 15.999 > 45 49 O 0.16509582127758 0.05479629445389 0.42914099080962 15.999 > 49 50 O 0.66509582127758 0.05479629445389 0.42914099080962 15.999 > 49 51 O 0.16509582127758 0.55479629445389 0.42914099080962 15.999 > 49 52 O 0.66509582127758 0.55479629445389 0.42914099080962 15.999 > 49 53 O 0.07879393821239 0.00342043875932 0.12111775598938 15.999 > 53 54 O 0.57879393821239 0.00342043875932 0.12111775598938 15.999 > 53 55 O 0.07879393821239 0.50342043875932 0.12111775598938 15.999 > 53 56 O 0.57879393821239 0.50342043875932 0.12111775598938 15.999 > 53 57 O 0.05738953709248 0.00324028209487 0.66436652309390 15.999 > 57 58 O 0.55738953709248 0.00324028209487 0.66436652309390 15.999 > 57 59 O 0.05738953709248 0.50324028209487 0.66436652309390 15.999 > 57 60 O 0.55738953709248 0.50324028209487 0.66436652309390 15.999 > 57 61 O 0.44261046290752 0.25324028209487 0.83563347690610 15.999 > 61 62 O 0.94261046290752 0.25324028209487 0.83563347690610 15.999 > 61 63 O 0.44261046290752 0.75324028209487 0.83563347690610 15.999 > 61 64 O 0.94261046290752 0.75324028209487 0.83563347690610 15.999 > 61 65 O 0.05738953709248 0.24675971790513 0.16436652309390 15.999 > 65 66 O 0.55738953709248 0.24675971790513 0.16436652309390 15.999 > 65 67 O 0.05738953709248 0.74675971790513 0.16436652309390 15.999 > 65 68 O 0.55738953709248 0.74675971790513 0.16436652309390 15.999 > 65 69 O 0.44261046290752 0.49675971790513 0.33563347690610 15.999 > 69 70 O 0.94261046290752 0.49675971790513 0.33563347690610 15.999 > 69 71 O 0.44261046290752 0.99675971790513 0.33563347690610 15.999 > 69 72 O 0.94261046290752 0.99675971790513 0.33563347690610 15.999 > 69 73 O 0.42120606178761 0.49657956124068 0.87888224401062 15.999 > 73 74 O 0.92120606178761 0.49657956124068 0.87888224401062 15.999 > 73 75 O 0.42120606178761 0.99657956124068 0.87888224401062 15.999 > 73 76 O 0.92120606178761 0.99657956124068 0.87888224401062 15.999 > 73 77 O 0.33490417872242 0.44520370554611 0.57085900919038 15.999 > 77 78 O 0.83490417872242 0.44520370554611 0.57085900919038 15.999 > 77 79 O 0.33490417872242 0.94520370554611 0.57085900919038 15.999 > 77 80 O 0.83490417872242 0.94520370554611 0.57085900919038 15.999 > 77 81 O 0.42120606178761 0.25342043875932 0.37888224401062 15.999 > 81 82 O 0.92120606178761 0.25342043875932 0.37888224401062 15.999 > 81 83 O 0.42120606178761 0.75342043875932 0.37888224401062 15.999 > 81 84 O 0.92120606178761 0.75342043875932 0.37888224401062 15.999 > 81 85 O 0.28880866610529 0.20015013008395 0.68441335851430 15.999 > 85 86 O 0.78880866610529 0.20015013008395 0.68441335851430 15.999 > 85 87 O 0.28880866610529 0.70015013008395 0.68441335851430 15.999 > 85 88 O 0.78880866610529 0.70015013008395 0.68441335851430 15.999 > 85 89 O 0.33490417872242 0.30479629445389 0.07085900919038 15.999 > 89 90 O 0.83490417872242 0.30479629445389 0.07085900919038 15.999 > 89 91 O 0.33490417872242 0.80479629445389 0.07085900919038 15.999 > 89 92 O 0.83490417872242 0.80479629445389 0.07085900919038 15.999 > 89 93 O 0.28880866610529 0.04984986991605 0.18441335851430 15.999 > 93 94 O 0.78880866610529 0.04984986991605 0.18441335851430 15.999 > 93 95 O 0.28880866610529 0.54984986991605 0.18441335851430 15.999 > 93 96 O 0.78880866610529 0.54984986991605 0.18441335851430 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5547071 0.0000000 0.4010305 0.0000000 6.2895135 0.0000000 0.4010319 0.0000000 6.8803927 -------------------------- Born effective charges -------------------------- 1 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 2 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 3 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 4 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 5 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 6 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 7 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 8 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 9 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 10 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 11 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 12 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 13 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 14 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 15 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 16 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 17 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 18 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 19 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 20 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 21 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 22 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 23 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 24 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 45, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 57, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:53:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:53:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.868299170025217 0.000000000000000 0.000000000000000 b 0.000000000000000 5.640734400000000 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): 1 Pr 0.13712197466397 0.73206302335245 0.89270790161292 140.908 2 Pr 0.13712197466397 0.76793697664755 0.39270790161292 140.908 3 Pr 0.86287802533602 0.23206302335245 0.60729209838708 140.908 4 Pr 0.86287802533602 0.26793697664755 0.10729209838708 140.908 5 Bi 0.33913372207737 0.22705520327207 0.68468932875247 208.980 6 Bi 0.33913372207737 0.27294479672793 0.18468932875247 208.980 7 Bi 0.66086627792263 0.72705520327207 0.81531067124753 208.980 8 Bi 0.66086627792263 0.77294479672793 0.31531067124753 208.980 9 O 0.42238266778941 0.90030026016790 0.81558664148570 15.999 10 O 0.33019164255516 0.39040741109222 0.92914099080962 15.999 11 O 0.42238266778941 0.59969973983210 0.31558664148570 15.999 12 O 0.15758787642478 0.49315912248136 0.62111775598938 15.999 13 O 0.33019164255516 0.10959258890777 0.42914099080962 15.999 14 O 0.15758787642478 0.00684087751864 0.12111775598938 15.999 15 O 0.11477907418496 0.00648056418974 0.66436652309390 15.999 16 O 0.88522092581504 0.50648056418974 0.83563347690610 15.999 17 O 0.11477907418496 0.49351943581026 0.16436652309390 15.999 18 O 0.88522092581504 0.99351943581026 0.33563347690610 15.999 19 O 0.84241212357522 0.99315912248136 0.87888224401062 15.999 20 O 0.66980835744484 0.89040741109222 0.57085900919038 15.999 21 O 0.84241212357522 0.50684087751864 0.37888224401062 15.999 22 O 0.57761733221059 0.40030026016790 0.68441335851430 15.999 23 O 0.66980835744484 0.60959258890778 0.07085900919038 15.999 24 O 0.57761733221059 0.09969973983210 0.18441335851430 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.736598340050435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.281468800000001 0.000000000000000 c -1.032917524529837 0.000000000000000 7.870087125010636 Atomic positions (fractional): 1 Pr 0.06856098733199 0.36603151167622 0.89270790161292 140.908 > 1 2 Pr 0.56856098733199 0.36603151167622 0.89270790161292 140.908 > 1 3 Pr 0.06856098733199 0.86603151167622 0.89270790161292 140.908 > 1 4 Pr 0.56856098733199 0.86603151167622 0.89270790161292 140.908 > 1 5 Pr 0.06856098733199 0.38396848832378 0.39270790161292 140.908 > 5 6 Pr 0.56856098733199 0.38396848832378 0.39270790161292 140.908 > 5 7 Pr 0.06856098733199 0.88396848832378 0.39270790161292 140.908 > 5 8 Pr 0.56856098733199 0.88396848832378 0.39270790161292 140.908 > 5 9 Pr 0.43143901266801 0.11603151167622 0.60729209838708 140.908 > 9 10 Pr 0.93143901266801 0.11603151167622 0.60729209838708 140.908 > 9 11 Pr 0.43143901266801 0.61603151167622 0.60729209838708 140.908 > 9 12 Pr 0.93143901266801 0.61603151167622 0.60729209838708 140.908 > 9 13 Pr 0.43143901266801 0.13396848832378 0.10729209838708 140.908 > 13 14 Pr 0.93143901266801 0.13396848832378 0.10729209838708 140.908 > 13 15 Pr 0.43143901266801 0.63396848832378 0.10729209838708 140.908 > 13 16 Pr 0.93143901266801 0.63396848832378 0.10729209838708 140.908 > 13 17 Bi 0.16956686103868 0.11352760163603 0.68468932875247 208.980 > 17 18 Bi 0.66956686103868 0.11352760163603 0.68468932875247 208.980 > 17 19 Bi 0.16956686103868 0.61352760163604 0.68468932875247 208.980 > 17 20 Bi 0.66956686103868 0.61352760163604 0.68468932875247 208.980 > 17 21 Bi 0.16956686103868 0.13647239836396 0.18468932875247 208.980 > 21 22 Bi 0.66956686103868 0.13647239836396 0.18468932875247 208.980 > 21 23 Bi 0.16956686103868 0.63647239836396 0.18468932875247 208.980 > 21 24 Bi 0.66956686103868 0.63647239836396 0.18468932875247 208.980 > 21 25 Bi 0.33043313896132 0.36352760163603 0.81531067124753 208.980 > 25 26 Bi 0.83043313896132 0.36352760163603 0.81531067124753 208.980 > 25 27 Bi 0.33043313896132 0.86352760163603 0.81531067124753 208.980 > 25 28 Bi 0.83043313896132 0.86352760163603 0.81531067124753 208.980 > 25 29 Bi 0.33043313896132 0.38647239836397 0.31531067124753 208.980 > 29 30 Bi 0.83043313896132 0.38647239836397 0.31531067124753 208.980 > 29 31 Bi 0.33043313896132 0.88647239836397 0.31531067124753 208.980 > 29 32 Bi 0.83043313896132 0.88647239836397 0.31531067124753 208.980 > 29 33 O 0.21119133389471 0.45015013008395 0.81558664148570 15.999 > 33 34 O 0.71119133389471 0.45015013008395 0.81558664148570 15.999 > 33 35 O 0.21119133389471 0.95015013008395 0.81558664148570 15.999 > 33 36 O 0.71119133389471 0.95015013008395 0.81558664148570 15.999 > 33 37 O 0.16509582127758 0.19520370554611 0.92914099080962 15.999 > 37 38 O 0.66509582127758 0.19520370554611 0.92914099080962 15.999 > 37 39 O 0.16509582127758 0.69520370554611 0.92914099080962 15.999 > 37 40 O 0.66509582127758 0.69520370554611 0.92914099080962 15.999 > 37 41 O 0.21119133389471 0.29984986991605 0.31558664148570 15.999 > 41 42 O 0.71119133389471 0.29984986991605 0.31558664148570 15.999 > 41 43 O 0.21119133389471 0.79984986991605 0.31558664148570 15.999 > 41 44 O 0.71119133389471 0.79984986991605 0.31558664148570 15.999 > 41 45 O 0.07879393821239 0.24657956124068 0.62111775598938 15.999 > 45 46 O 0.57879393821239 0.24657956124068 0.62111775598938 15.999 > 45 47 O 0.07879393821239 0.74657956124068 0.62111775598938 15.999 > 45 48 O 0.57879393821239 0.74657956124068 0.62111775598938 15.999 > 45 49 O 0.16509582127758 0.05479629445389 0.42914099080962 15.999 > 49 50 O 0.66509582127758 0.05479629445389 0.42914099080962 15.999 > 49 51 O 0.16509582127758 0.55479629445389 0.42914099080962 15.999 > 49 52 O 0.66509582127758 0.55479629445389 0.42914099080962 15.999 > 49 53 O 0.07879393821239 0.00342043875932 0.12111775598938 15.999 > 53 54 O 0.57879393821239 0.00342043875932 0.12111775598938 15.999 > 53 55 O 0.07879393821239 0.50342043875932 0.12111775598938 15.999 > 53 56 O 0.57879393821239 0.50342043875932 0.12111775598938 15.999 > 53 57 O 0.05738953709248 0.00324028209487 0.66436652309390 15.999 > 57 58 O 0.55738953709248 0.00324028209487 0.66436652309390 15.999 > 57 59 O 0.05738953709248 0.50324028209487 0.66436652309390 15.999 > 57 60 O 0.55738953709248 0.50324028209487 0.66436652309390 15.999 > 57 61 O 0.44261046290752 0.25324028209487 0.83563347690610 15.999 > 61 62 O 0.94261046290752 0.25324028209487 0.83563347690610 15.999 > 61 63 O 0.44261046290752 0.75324028209487 0.83563347690610 15.999 > 61 64 O 0.94261046290752 0.75324028209487 0.83563347690610 15.999 > 61 65 O 0.05738953709248 0.24675971790513 0.16436652309390 15.999 > 65 66 O 0.55738953709248 0.24675971790513 0.16436652309390 15.999 > 65 67 O 0.05738953709248 0.74675971790513 0.16436652309390 15.999 > 65 68 O 0.55738953709248 0.74675971790513 0.16436652309390 15.999 > 65 69 O 0.44261046290752 0.49675971790513 0.33563347690610 15.999 > 69 70 O 0.94261046290752 0.49675971790513 0.33563347690610 15.999 > 69 71 O 0.44261046290752 0.99675971790513 0.33563347690610 15.999 > 69 72 O 0.94261046290752 0.99675971790513 0.33563347690610 15.999 > 69 73 O 0.42120606178761 0.49657956124068 0.87888224401062 15.999 > 73 74 O 0.92120606178761 0.49657956124068 0.87888224401062 15.999 > 73 75 O 0.42120606178761 0.99657956124068 0.87888224401062 15.999 > 73 76 O 0.92120606178761 0.99657956124068 0.87888224401062 15.999 > 73 77 O 0.33490417872242 0.44520370554611 0.57085900919038 15.999 > 77 78 O 0.83490417872242 0.44520370554611 0.57085900919038 15.999 > 77 79 O 0.33490417872242 0.94520370554611 0.57085900919038 15.999 > 77 80 O 0.83490417872242 0.94520370554611 0.57085900919038 15.999 > 77 81 O 0.42120606178761 0.25342043875932 0.37888224401062 15.999 > 81 82 O 0.92120606178761 0.25342043875932 0.37888224401062 15.999 > 81 83 O 0.42120606178761 0.75342043875932 0.37888224401062 15.999 > 81 84 O 0.92120606178761 0.75342043875932 0.37888224401062 15.999 > 81 85 O 0.28880866610529 0.20015013008395 0.68441335851430 15.999 > 85 86 O 0.78880866610529 0.20015013008395 0.68441335851430 15.999 > 85 87 O 0.28880866610529 0.70015013008395 0.68441335851430 15.999 > 85 88 O 0.78880866610529 0.70015013008395 0.68441335851430 15.999 > 85 89 O 0.33490417872242 0.30479629445389 0.07085900919038 15.999 > 89 90 O 0.83490417872242 0.30479629445389 0.07085900919038 15.999 > 89 91 O 0.33490417872242 0.80479629445389 0.07085900919038 15.999 > 89 92 O 0.83490417872242 0.80479629445389 0.07085900919038 15.999 > 89 93 O 0.28880866610529 0.04984986991605 0.18441335851430 15.999 > 93 94 O 0.78880866610529 0.04984986991605 0.18441335851430 15.999 > 93 95 O 0.28880866610529 0.54984986991605 0.18441335851430 15.999 > 93 96 O 0.78880866610529 0.54984986991605 0.18441335851430 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5547071 0.0000000 0.4010305 0.0000000 6.2895135 0.0000000 0.4010319 0.0000000 6.8803927 -------------------------- Born effective charges -------------------------- 1 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 2 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 3 Pr 4.2462008 -0.4000251 -0.0082140 0.0610887 4.4747507 -0.1065608 0.0171814 0.1563981 3.9580421 4 Pr 4.2462008 0.4000251 -0.0082140 -0.0610887 4.4747507 0.1065608 0.0171814 -0.1563981 3.9580421 5 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 6 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 7 Bi 4.5870932 0.6014056 0.1294011 -0.5809672 5.0287522 0.4135283 -0.0553799 -1.1156049 5.4158016 8 Bi 4.5870932 -0.6014056 0.1294011 0.5809672 5.0287522 -0.4135283 -0.0553799 1.1156049 5.4158016 9 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 10 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 11 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 12 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 13 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 14 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 15 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 16 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 17 O -2.8914006 -0.1911757 -0.2733144 0.0268500 -2.4557854 -0.3529913 -0.0565598 -0.2713510 -2.2193020 18 O -2.8914006 0.1911757 -0.2733144 -0.0268500 -2.4557854 0.3529913 -0.0565598 0.2713510 -2.2193020 19 O -1.9631699 -0.3004110 -0.1592904 -0.2856511 -2.5188713 -0.4400849 -0.1938175 -0.3778018 -2.6134207 20 O -1.4308853 -0.4416772 0.2166399 -0.3857518 -2.1365319 -0.1396599 0.1718179 -0.0145709 -3.0643432 21 O -1.9631699 0.3004110 -0.1592904 0.2856511 -2.5188713 0.4400849 -0.1938175 0.3778018 -2.6134207 22 O -2.5478381 -0.7464324 0.0947778 -0.4615987 -2.3923143 -0.4324843 0.1167579 -0.5074657 -1.4767779 23 O -1.4308853 0.4416772 0.2166399 0.3857518 -2.1365319 0.1396599 0.1718179 0.0145709 -3.0643432 24 O -2.5478381 0.7464324 0.0947778 0.4615987 -2.3923143 0.4324843 0.1167579 0.5074657 -1.4767779 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 295, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 1.949 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.415 ( 0.000 0.000 0.000) 0.000 16.784 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.112 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 18.017 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.547 ( 0.000 0.000 0.000) 0.000 18.936 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 22.102 0.000 5.146) 22.693 0.524 ( 23.005 0.000 10.151) 25.145 1.069 ( 47.170 0.000 13.080) 48.950 1.998 ( 4.158 0.000 -7.000) 8.142 1.999 ( -5.135 0.000 -1.809) 5.444 2.829 ( -7.950 0.000 1.107) 8.026 2.906 ( -0.600 0.000 2.472) 2.544 2.945 ( -3.717 0.000 -0.372) 3.735 2.985 ( -0.589 0.000 0.947) 1.115 3.100 ( -1.784 0.000 7.400) 7.612 3.159 ( 2.109 0.000 -7.983) 8.257 3.533 ( 3.423 0.000 -3.141) 4.645 3.655 ( -3.650 0.000 -2.542) 4.448 3.788 ( -2.612 0.000 -1.298) 2.916 3.868 ( 0.303 0.000 2.465) 2.484 3.980 ( -1.294 0.000 -3.577) 3.804 4.142 ( -7.376 0.000 4.862) 8.834 4.186 ( 4.676 0.000 -6.208) 7.772 4.330 ( 4.322 0.000 -6.065) 7.447 4.399 ( -0.542 0.000 1.248) 1.361 4.491 ( -1.779 0.000 4.930) 5.241 4.724 ( 9.370 0.000 8.498) 12.649 4.754 ( -5.518 0.000 -6.618) 8.617 4.886 ( 0.802 0.000 -2.773) 2.886 4.913 ( -2.272 0.000 8.818) 9.106 5.479 ( -4.119 0.000 0.166) 4.122 5.481 ( -0.576 0.000 1.514) 1.620 6.022 ( 1.427 0.000 7.668) 7.799 6.330 ( 0.661 0.000 2.268) 2.362 6.676 ( -0.618 0.000 -1.347) 1.482 6.835 ( -3.902 0.000 2.959) 4.897 7.183 ( -3.937 0.000 0.088) 3.938 7.300 ( -0.928 0.000 -0.806) 1.229 7.337 ( 2.213 0.000 22.723) 22.830 7.993 ( -1.733 0.000 0.395) 1.777 8.067 ( -2.965 0.000 -1.297) 3.236 8.234 ( -2.898 0.000 -9.376) 9.814 8.598 ( -2.666 0.000 0.369) 2.692 8.767 ( 1.534 0.000 1.466) 2.122 9.194 ( 4.785 0.000 -28.068) 28.473 9.548 ( -3.172 0.000 -1.102) 3.358 9.602 ( -1.164 0.000 0.395) 1.229 10.363 ( 9.279 0.000 0.151) 9.281 10.515 ( 2.154 0.000 3.515) 4.123 10.645 ( 2.267 0.000 -0.219) 2.277 10.876 ( 0.416 0.000 0.182) 0.454 11.475 ( 2.910 0.000 -1.360) 3.212 11.591 ( 0.578 0.000 -0.324) 0.663 12.000 ( -5.318 0.000 0.203) 5.321 12.253 ( 5.733 0.000 -1.530) 5.934 12.311 ( 0.463 0.000 -0.084) 0.471 12.859 ( -0.584 0.000 0.926) 1.095 12.877 ( 2.588 0.000 -30.646) 30.755 13.175 ( 1.440 0.000 -3.890) 4.148 13.738 ( 1.362 0.000 7.901) 8.017 13.878 ( 6.458 0.000 5.862) 8.722 13.899 ( -11.286 0.000 -2.702) 11.605 14.595 ( 3.767 0.000 2.462) 4.500 15.041 ( 5.189 0.000 1.544) 5.414 15.553 ( -16.793 0.000 -16.098) 23.263 15.694 ( -10.219 0.000 -3.956) 10.958 16.287 ( 1.586 0.000 4.084) 4.381 16.539 ( 8.152 0.000 -2.355) 8.485 16.867 ( 5.563 0.000 -3.719) 6.691 17.089 ( -2.266 0.000 11.176) 11.403 17.136 ( -2.267 0.000 1.102) 2.520 17.171 ( 1.323 0.000 19.166) 19.212 17.893 ( 1.093 0.000 -3.217) 3.398 18.003 ( -1.255 0.000 0.290) 1.289 18.379 ( 0.220 0.000 2.544) 2.554 18.531 ( -1.364 0.000 -0.287) 1.393 18.935 ( -0.042 0.000 -0.206) 0.210 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 19.362 0.000 3.751) 19.722 1.013 ( 19.764 0.000 8.342) 21.453 1.817 ( -9.981 0.000 -0.867) 10.019 1.982 ( -5.328 0.000 -8.078) 9.677 2.040 ( 38.807 0.000 11.891) 40.588 2.719 ( -0.155 0.000 -5.121) 5.124 2.859 ( -3.414 0.000 -1.096) 3.586 2.948 ( 2.463 0.000 11.757) 12.013 2.964 ( -1.534 0.000 -2.796) 3.190 3.080 ( -2.122 0.000 -0.782) 2.262 3.181 ( 1.541 0.000 1.305) 2.019 3.495 ( -5.252 0.000 -6.223) 8.143 3.517 ( -9.115 0.000 -4.849) 10.324 3.735 ( -1.337 0.000 -2.676) 2.991 3.865 ( -1.212 0.000 2.011) 2.348 3.988 ( -6.472 0.000 1.337) 6.609 4.043 ( 7.783 0.000 -7.443) 10.769 4.257 ( 3.449 0.000 -5.444) 6.444 4.363 ( -3.803 0.000 9.112) 9.874 4.388 ( 1.703 0.000 0.203) 1.715 4.434 ( -4.608 0.000 3.206) 5.614 4.593 ( -6.870 0.000 -2.870) 7.446 4.908 ( 0.516 0.000 0.804) 0.955 4.910 ( 3.185 0.000 -4.480) 5.497 4.955 ( 6.319 0.000 6.705) 9.213 5.406 ( -1.252 0.000 1.295) 1.801 5.466 ( -1.042 0.000 0.907) 1.382 6.079 ( 2.183 0.000 2.232) 3.122 6.382 ( 3.409 0.000 3.301) 4.746 6.610 ( -4.870 0.000 -2.719) 5.578 6.758 ( -3.400 0.000 2.142) 4.018 7.072 ( -5.579 0.000 -0.567) 5.608 7.297 ( 0.703 0.000 -0.228) 0.739 7.458 ( 4.430 0.000 6.799) 8.115 7.957 ( -1.528 0.000 0.461) 1.596 7.991 ( -3.197 0.000 -1.302) 3.452 8.137 ( -3.884 0.000 -3.010) 4.914 8.529 ( -3.327 0.000 0.302) 3.340 8.819 ( 2.596 0.000 1.725) 3.117 9.217 ( 2.370 0.000 -10.961) 11.215 9.460 ( -4.064 0.000 -1.317) 4.272 9.578 ( -0.970 0.000 0.409) 1.053 10.532 ( 4.171 0.000 -2.628) 4.929 10.616 ( 5.496 0.000 5.483) 7.764 10.721 ( 5.595 0.000 1.057) 5.694 10.887 ( 0.474 0.000 0.045) 0.476 11.535 ( 2.493 0.000 -0.581) 2.560 11.603 ( 0.840 0.000 -0.567) 1.014 11.878 ( -5.968 0.000 -0.231) 5.972 12.317 ( 0.093 0.000 -0.323) 0.336 12.365 ( 4.741 0.000 -1.982) 5.138 12.860 ( 0.859 0.000 -8.173) 8.218 12.877 ( 2.355 0.000 1.895) 3.023 13.189 ( 0.840 0.000 -2.860) 2.981 13.605 ( -13.900 0.000 -2.631) 14.147 13.790 ( 1.735 0.000 1.869) 2.550 14.102 ( 12.068 0.000 8.735) 14.898 14.720 ( 6.749 0.000 2.990) 7.381 15.114 ( -19.266 0.000 -11.319) 22.345 15.152 ( 4.047 0.000 1.391) 4.279 15.427 ( -12.149 0.000 -3.662) 12.689 16.385 ( 5.730 0.000 3.802) 6.877 16.665 ( 3.888 0.000 -1.506) 4.170 16.887 ( -2.878 0.000 -5.857) 6.526 17.075 ( -0.924 0.000 3.471) 3.592 17.130 ( 1.468 0.000 2.402) 2.815 17.261 ( 2.804 0.000 8.219) 8.684 17.912 ( 1.288 0.000 -1.320) 1.845 17.973 ( -1.576 0.000 0.444) 1.638 18.389 ( 0.219 0.000 0.839) 0.867 18.499 ( -1.308 0.000 -0.305) 1.343 18.933 ( -0.096 0.000 -0.197) 0.219 ======================= Grid point 3 (4/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 0.000 -0.000) 0.000 1.294 ( -0.000 0.000 -0.000) 0.000 1.634 ( 0.000 0.000 -0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.698 ( -0.000 0.000 -0.000) 0.000 2.731 ( 0.000 0.000 -0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 -0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 -0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 -0.000) 0.000 3.847 ( 0.000 0.000 -0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.159 ( -0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 -0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.363 ( -0.000 0.000 -0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.958 ( -0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 -0.000) 0.000 5.423 ( 0.000 0.000 -0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 -0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.513 ( -0.000 0.000 -0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 -0.000) 0.000 7.951 ( 0.000 0.000 -0.000) 0.000 8.086 ( 0.000 0.000 -0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 -0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 -0.000) 0.000 9.568 ( 0.000 0.000 -0.000) 0.000 10.568 ( 0.000 0.000 -0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 -0.000) 0.000 10.893 ( 0.000 0.000 -0.000) 0.000 11.562 ( 0.000 0.000 -0.000) 0.000 11.621 ( 0.000 0.000 -0.000) 0.000 11.792 ( 0.000 0.000 -0.000) 0.000 12.316 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 -0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.932 ( 0.000 0.000 -0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 -0.000) 0.000 13.812 ( 0.000 0.000 -0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.827 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 -0.000) 0.000 15.258 ( 0.000 0.000 -0.000) 0.000 16.478 ( 0.000 0.000 -0.000) 0.000 16.702 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 -0.000) 0.000 17.070 ( 0.000 0.000 -0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 17.306 ( 0.000 0.000 -0.000) 0.000 17.934 ( 0.000 0.000 -0.000) 0.000 17.947 ( -0.000 0.000 0.000) 0.000 18.392 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 0.000 -0.000) 0.000 18.931 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 26.025 0.000) 26.025 0.599 ( 0.000 30.212 0.000) 30.212 1.048 ( 0.000 50.891 0.000) 50.891 1.995 ( 0.000 4.365 0.000) 4.365 2.090 ( 0.000 3.640 0.000) 3.640 2.868 ( 0.000 -5.823 0.000) 5.823 2.923 ( 0.000 -4.461 0.000) 4.461 2.939 ( 0.000 -5.650 0.000) 5.650 3.093 ( 0.000 0.624 0.000) 0.624 3.097 ( 0.000 -3.493 0.000) 3.493 3.491 ( 0.000 2.918 0.000) 2.918 3.520 ( 0.000 -4.267 0.000) 4.267 3.629 ( 0.000 -6.973 0.000) 6.973 3.707 ( 0.000 -11.797 0.000) 11.797 3.808 ( 0.000 -1.673 0.000) 1.673 3.989 ( 0.000 -9.701 0.000) 9.701 3.999 ( 0.000 -9.974 0.000) 9.974 4.204 ( 0.000 6.385 0.000) 6.385 4.347 ( 0.000 6.111 0.000) 6.111 4.356 ( 0.000 -0.340 0.000) 0.340 4.506 ( 0.000 5.836 0.000) 5.836 4.588 ( 0.000 6.015 0.000) 6.015 4.697 ( 0.000 6.628 0.000) 6.628 4.879 ( 0.000 1.315 0.000) 1.315 4.913 ( 0.000 2.671 0.000) 2.671 5.475 ( 0.000 -3.102 0.000) 3.102 5.524 ( 0.000 3.120 0.000) 3.120 5.807 ( 0.000 2.838 0.000) 2.838 6.411 ( 0.000 -6.212 0.000) 6.212 6.563 ( 0.000 -9.031 0.000) 9.031 6.980 ( 0.000 9.672 0.000) 9.672 7.153 ( 0.000 9.692 0.000) 9.692 7.291 ( 0.000 7.067 0.000) 7.067 7.725 ( 0.000 -2.192 0.000) 2.192 8.095 ( 0.000 -0.114 0.000) 0.114 8.113 ( 0.000 7.548 0.000) 7.548 8.272 ( 0.000 4.460 0.000) 4.460 8.607 ( 0.000 -2.154 0.000) 2.154 8.732 ( 0.000 -0.706 0.000) 0.706 9.098 ( 0.000 -2.088 0.000) 2.088 9.621 ( 0.000 3.558 0.000) 3.558 9.664 ( 0.000 4.333 0.000) 4.333 10.285 ( 0.000 -0.189 0.000) 0.189 10.446 ( 0.000 -4.154 0.000) 4.154 10.915 ( 0.000 4.208 0.000) 4.208 11.407 ( 0.000 -0.184 0.000) 0.184 11.461 ( 0.000 5.315 0.000) 5.315 11.495 ( 0.000 -1.835 0.000) 1.835 11.640 ( 0.000 5.153 0.000) 5.153 12.184 ( 0.000 1.623 0.000) 1.623 12.275 ( 0.000 -2.875 0.000) 2.875 12.460 ( 0.000 -0.846 0.000) 0.846 13.149 ( 0.000 -1.101 0.000) 1.101 13.668 ( 0.000 0.995 0.000) 0.995 13.770 ( 0.000 -2.329 0.000) 2.329 14.033 ( 0.000 -0.728 0.000) 0.728 14.167 ( 0.000 5.924 0.000) 5.924 14.541 ( 0.000 -0.918 0.000) 0.918 14.639 ( 0.000 -2.186 0.000) 2.186 15.090 ( 0.000 2.042 0.000) 2.042 16.118 ( 0.000 1.575 0.000) 1.575 16.278 ( 0.000 -0.271 0.000) 0.271 16.437 ( 0.000 2.011 0.000) 2.011 16.987 ( 0.000 -1.935 0.000) 1.935 17.128 ( 0.000 1.527 0.000) 1.527 17.170 ( 0.000 0.454 0.000) 0.454 17.682 ( 0.000 -0.645 0.000) 0.645 17.696 ( 0.000 -4.986 0.000) 4.986 18.033 ( 0.000 -1.704 0.000) 1.704 18.055 ( 0.000 2.934 0.000) 2.934 18.554 ( 0.000 0.664 0.000) 0.664 19.042 ( 0.000 -2.747 0.000) 2.747 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 13.023 23.122 -4.054) 26.846 0.830 ( 18.822 18.831 7.207) 27.583 1.409 ( 28.265 30.988 11.740) 43.554 2.025 ( -3.032 3.812 -2.981) 5.711 2.080 ( 4.105 5.821 -5.211) 8.825 2.796 ( -6.140 -2.732 0.163) 6.722 2.881 ( -2.526 -5.607 -2.579) 6.668 2.938 ( -0.211 -4.555 0.588) 4.598 3.012 ( -6.526 2.673 3.251) 7.765 3.129 ( -0.650 -0.867 -4.989) 5.105 3.163 ( -5.544 3.069 3.417) 7.199 3.561 ( -2.715 -2.686 -5.639) 6.810 3.619 ( 1.755 1.446 0.889) 2.441 3.709 ( -1.940 -10.445 0.561) 10.638 3.749 ( -1.374 -4.501 2.222) 5.205 3.952 ( -1.746 -6.174 -3.171) 7.157 3.997 ( -0.012 -9.517 0.786) 9.550 4.254 ( 4.262 3.322 -6.316) 8.313 4.350 ( 0.843 4.769 -6.012) 7.720 4.463 ( -0.628 0.644 0.067) 0.902 4.524 ( -0.131 4.683 6.943) 8.376 4.695 ( 0.607 -0.268 2.417) 2.507 4.799 ( 7.885 3.406 5.087) 9.983 4.870 ( -0.314 0.528 3.527) 3.580 4.940 ( 1.987 3.688 -0.944) 4.294 5.464 ( -2.549 -0.186 2.728) 3.738 5.525 ( 0.023 1.894 0.216) 1.907 5.874 ( 4.977 -3.785 0.683) 6.290 6.374 ( -1.688 -2.763 1.022) 3.395 6.574 ( -0.853 -8.649 2.267) 8.982 6.960 ( -1.727 10.554 -1.435) 10.790 7.207 ( 3.306 4.300 2.443) 5.949 7.301 ( 0.735 7.386 0.790) 7.464 7.562 ( -10.079 7.495 10.738) 16.524 8.045 ( -3.314 4.491 -0.489) 5.602 8.067 ( -3.397 0.696 -1.519) 3.786 8.265 ( -1.848 3.694 -6.715) 7.884 8.606 ( -0.905 0.685 1.359) 1.771 8.732 ( 0.606 -2.715 0.660) 2.859 9.113 ( 1.820 -4.805 -10.309) 11.519 9.609 ( 0.206 3.634 -9.680) 10.342 9.658 ( -1.627 5.535 4.739) 7.466 10.374 ( 7.335 -1.332 -1.604) 7.626 10.479 ( 3.025 -3.171 5.951) 7.390 10.881 ( -7.397 11.338 -1.385) 13.608 10.951 ( -4.833 11.091 0.271) 12.101 11.445 ( 2.554 -2.158 -1.001) 3.490 11.642 ( 0.369 4.125 -0.832) 4.224 11.879 ( 4.327 -7.454 1.884) 8.822 12.265 ( 3.640 -0.577 -0.489) 3.718 12.294 ( 2.186 0.112 -0.557) 2.259 12.551 ( 8.002 -6.989 -6.214) 12.308 13.156 ( 0.073 0.286 0.975) 1.019 13.428 ( -15.716 18.790 -22.872) 33.514 13.756 ( -2.420 2.523 7.971) 8.704 13.845 ( 1.148 -0.009 4.386) 4.534 13.995 ( -5.510 7.000 -0.935) 8.957 14.537 ( 2.547 -5.738 4.072) 7.483 14.957 ( 5.529 -10.714 0.681) 12.076 15.225 ( 4.584 -7.718 -3.368) 9.588 15.861 ( -15.455 5.631 -4.108) 16.954 16.428 ( 1.615 7.182 1.102) 7.443 16.501 ( 7.956 -1.965 1.444) 8.321 16.891 ( -3.208 0.070 -6.254) 7.029 17.109 ( -1.669 1.019 -0.951) 2.174 17.131 ( -3.512 1.008 4.838) 6.063 17.309 ( -4.777 8.287 12.637) 15.849 17.892 ( 2.367 -0.719 -2.943) 3.845 18.023 ( -1.542 1.773 0.723) 2.458 18.177 ( 4.639 -11.962 0.079) 12.831 18.574 ( 0.659 1.586 1.395) 2.213 18.962 ( -3.294 0.296 -1.157) 3.504 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 17.044 13.121 -1.002) 21.533 1.229 ( 16.222 16.255 8.337) 24.431 1.829 ( -8.162 2.456 1.007) 8.583 1.984 ( 2.839 5.570 -4.267) 7.569 2.249 ( 21.779 13.472 5.937) 26.288 2.689 ( -1.622 -2.977 -4.228) 5.419 2.808 ( -2.851 -5.074 -3.547) 6.815 2.933 ( -2.305 -2.245 -0.974) 3.362 2.958 ( 1.568 -0.144 5.801) 6.011 3.094 ( -0.266 1.755 2.017) 2.687 3.189 ( 3.129 0.019 -0.149) 3.132 3.440 ( -7.590 -2.697 -5.293) 9.638 3.552 ( -7.520 -0.972 2.108) 7.870 3.669 ( -0.307 -6.266 -2.442) 6.732 3.763 ( 0.907 -4.900 0.737) 5.038 3.867 ( -5.030 -8.304 -0.391) 9.716 4.075 ( 7.171 -1.927 -5.312) 9.130 4.286 ( -0.741 0.201 -5.092) 5.150 4.348 ( 0.030 4.279 -0.586) 4.319 4.441 ( -1.296 2.250 2.645) 3.706 4.516 ( -1.446 6.603 5.262) 8.566 4.632 ( -4.430 4.220 -0.531) 6.142 4.873 ( -0.177 -2.586 0.323) 2.612 4.951 ( 3.709 1.290 0.462) 3.954 5.014 ( 5.742 6.946 2.485) 9.348 5.381 ( -5.015 0.679 0.692) 5.108 5.544 ( 1.965 4.395 1.581) 5.068 5.974 ( 3.606 -6.795 0.859) 7.741 6.375 ( 1.315 -3.425 1.216) 3.865 6.525 ( -3.720 -5.346 0.763) 6.558 6.900 ( -3.127 11.096 -1.066) 11.578 7.205 ( -3.853 10.632 0.283) 11.313 7.353 ( 3.456 5.199 -0.417) 6.257 7.482 ( 0.108 2.983 7.108) 7.709 7.968 ( -3.416 0.830 -0.709) 3.586 7.986 ( -3.184 -0.520 -1.525) 3.568 8.183 ( -3.596 4.901 -2.480) 6.565 8.565 ( -2.534 3.891 0.615) 4.684 8.776 ( 2.671 -4.077 1.927) 5.241 9.103 ( -0.501 -7.428 -6.232) 9.708 9.586 ( 0.510 7.073 -10.832) 12.947 9.625 ( -2.511 5.614 6.887) 9.233 10.473 ( 2.438 -6.053 -1.513) 6.699 10.653 ( 9.281 0.652 6.736) 11.486 10.785 ( -0.877 8.183 -0.787) 8.267 10.943 ( 0.406 5.051 -0.119) 5.069 11.500 ( 2.394 -2.609 -0.478) 3.573 11.646 ( 0.502 3.102 -1.068) 3.319 11.873 ( -3.474 -0.651 1.339) 3.780 12.297 ( 0.420 -1.755 1.435) 2.306 12.356 ( 3.290 -0.491 -4.354) 5.480 12.682 ( 4.850 -6.229 -2.684) 8.338 13.103 ( -4.445 9.728 -1.713) 10.832 13.243 ( 0.724 6.466 -4.879) 8.133 13.621 ( -10.278 2.500 -1.566) 10.693 13.883 ( 0.749 7.635 0.239) 7.676 14.051 ( 8.827 -3.863 9.285) 13.381 14.631 ( 4.258 -9.367 2.656) 10.626 14.922 ( -7.548 -10.678 -5.499) 14.186 15.222 ( -0.646 -0.212 -2.522) 2.612 15.545 ( -11.693 11.762 -2.351) 16.752 16.462 ( 3.424 6.589 3.061) 8.032 16.647 ( 4.367 -1.672 -0.551) 4.708 16.863 ( -1.945 -2.023 -4.306) 5.140 17.072 ( -0.513 -3.276 2.375) 4.079 17.095 ( -1.015 1.740 2.080) 2.895 17.335 ( 1.971 4.539 4.981) 7.022 17.922 ( 1.371 0.619 -1.226) 1.941 17.988 ( -1.812 1.359 0.637) 2.353 18.224 ( 0.765 -11.329 -0.239) 11.357 18.580 ( -0.183 3.899 0.673) 3.961 18.922 ( -0.738 -1.195 -0.574) 1.517 ======================= Grid point 10 (8/100) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.000 9.938 0.000) 9.938 1.468 ( -0.000 14.540 -0.000) 14.540 1.647 ( -0.000 2.755 0.000) 2.755 1.901 ( -0.000 5.380 -0.000) 5.380 2.675 ( -0.000 -5.042 -0.000) 5.042 2.719 ( -0.000 1.696 0.000) 1.696 2.788 ( 0.000 -3.817 0.000) 3.817 2.788 ( -0.000 -1.101 -0.000) 1.101 2.985 ( -0.000 -3.028 -0.000) 3.028 3.139 ( -0.000 11.769 -0.000) 11.769 3.215 ( -0.000 -1.132 -0.000) 1.132 3.339 ( 0.000 -1.451 -0.000) 1.451 3.408 ( -0.000 -1.200 0.000) 1.200 3.669 ( 0.000 -5.059 -0.000) 5.059 3.769 ( -0.000 -5.048 0.000) 5.048 3.803 ( 0.000 -7.977 -0.000) 7.977 4.185 ( -0.000 -8.096 0.000) 8.096 4.240 ( -0.000 6.165 0.000) 6.165 4.344 ( 0.000 3.284 -0.000) 3.284 4.416 ( -0.000 4.286 0.000) 4.286 4.535 ( 0.000 7.838 0.000) 7.838 4.559 ( -0.000 4.761 -0.000) 4.761 4.866 ( -0.000 -2.654 0.000) 2.654 4.995 ( 0.000 0.314 -0.000) 0.314 5.093 ( -0.000 9.995 0.000) 9.995 5.311 ( 0.000 -3.772 0.000) 3.772 5.584 ( -0.000 5.850 0.000) 5.850 6.015 ( 0.000 -7.068 -0.000) 7.068 6.412 ( -0.000 -7.915 0.000) 7.915 6.460 ( 0.000 -0.522 0.000) 0.522 6.858 ( 0.000 11.206 0.000) 11.206 7.149 ( 0.000 12.525 -0.000) 12.525 7.390 ( 0.000 7.958 0.000) 7.958 7.519 ( -0.000 -0.328 -0.000) 0.328 7.921 ( 0.000 -2.630 0.000) 2.630 7.948 ( 0.000 -0.236 -0.000) 0.236 8.136 ( -0.000 5.545 0.000) 5.545 8.534 ( 0.000 4.744 -0.000) 4.744 8.817 ( -0.000 -3.791 -0.000) 3.791 9.081 ( 0.000 -8.900 -0.000) 8.900 9.576 ( 0.000 10.867 -0.000) 10.867 9.606 ( -0.000 3.477 0.000) 3.477 10.496 ( 0.000 -6.746 0.000) 6.746 10.759 ( 0.000 8.368 0.000) 8.368 10.807 ( 0.000 -2.262 -0.000) 2.262 10.945 ( 0.000 4.632 0.000) 4.632 11.528 ( -0.000 -2.822 -0.000) 2.822 11.659 ( -0.000 2.669 -0.000) 2.669 11.813 ( 0.000 1.854 0.000) 1.854 12.303 ( 0.000 -0.688 0.000) 0.688 12.388 ( -0.000 -2.873 -0.000) 2.873 12.732 ( 0.000 -5.828 0.000) 5.828 13.053 ( 0.000 8.248 -0.000) 8.248 13.275 ( -0.000 6.071 -0.000) 6.071 13.465 ( 0.000 4.811 -0.000) 4.811 13.893 ( 0.000 7.848 -0.000) 7.848 14.220 ( -0.000 -7.932 -0.000) 7.932 14.644 ( 0.000 -13.540 0.000) 13.540 14.817 ( 0.000 -3.712 0.000) 3.712 15.199 ( -0.000 -2.368 -0.000) 2.368 15.417 ( -0.000 16.012 -0.000) 16.012 16.534 ( -0.000 5.127 -0.000) 5.127 16.691 ( 0.000 -0.934 0.000) 0.934 16.798 ( 0.000 -1.610 0.000) 1.610 17.085 ( -0.000 -4.991 0.000) 4.991 17.087 ( 0.000 1.572 -0.000) 1.572 17.368 ( 0.000 3.875 -0.000) 3.875 17.943 ( -0.000 0.545 0.000) 0.545 17.960 ( 0.000 1.283 -0.000) 1.283 18.230 ( 0.000 -10.964 -0.000) 10.964 18.578 ( 0.000 4.720 0.000) 4.720 18.915 ( 0.000 -1.633 -0.000) 1.633 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.000 24.575 0.000) 24.575 1.185 ( 0.000 29.085 0.000) 29.085 1.904 ( 0.000 29.885 0.000) 29.885 2.101 ( 0.000 5.906 0.000) 5.906 2.212 ( 0.000 10.524 0.000) 10.524 2.791 ( 0.000 -4.064 0.000) 4.064 2.801 ( 0.000 -1.651 0.000) 1.651 2.813 ( 0.000 -6.156 0.000) 6.156 3.012 ( 0.000 -4.782 0.000) 4.782 3.071 ( 0.000 -3.042 0.000) 3.042 3.385 ( 0.000 -8.711 0.000) 8.711 3.429 ( 0.000 -13.618 0.000) 13.618 3.440 ( 0.000 -11.855 0.000) 11.855 3.610 ( 0.000 5.760 0.000) 5.760 3.635 ( 0.000 -13.934 0.000) 13.934 3.784 ( 0.000 -8.863 0.000) 8.863 3.936 ( 0.000 3.269 0.000) 3.269 4.291 ( 0.000 -4.944 0.000) 4.944 4.372 ( 0.000 8.181 0.000) 8.181 4.502 ( 0.000 7.221 0.000) 7.221 4.636 ( 0.000 7.815 0.000) 7.815 4.711 ( 0.000 6.321 0.000) 6.321 4.795 ( 0.000 3.541 0.000) 3.541 4.903 ( 0.000 1.040 0.000) 1.040 5.017 ( 0.000 6.934 0.000) 6.934 5.443 ( 0.000 -0.276 0.000) 0.276 5.569 ( 0.000 0.904 0.000) 0.904 5.848 ( 0.000 1.905 0.000) 1.905 6.264 ( 0.000 -8.006 0.000) 8.006 6.338 ( 0.000 -14.208 0.000) 14.208 7.226 ( 0.000 14.315 0.000) 14.315 7.327 ( 0.000 7.620 0.000) 7.620 7.495 ( 0.000 12.277 0.000) 12.277 7.705 ( 0.000 0.094 0.000) 0.094 8.113 ( 0.000 2.056 0.000) 2.056 8.224 ( 0.000 2.355 0.000) 2.355 8.367 ( 0.000 4.557 0.000) 4.557 8.545 ( 0.000 -3.708 0.000) 3.708 8.779 ( 0.000 6.407 0.000) 6.407 9.053 ( 0.000 -2.173 0.000) 2.173 9.718 ( 0.000 6.133 0.000) 6.133 9.755 ( 0.000 4.156 0.000) 4.156 10.258 ( 0.000 -2.896 0.000) 2.896 10.324 ( 0.000 -8.145 0.000) 8.145 11.020 ( 0.000 6.007 0.000) 6.007 11.377 ( 0.000 -2.542 0.000) 2.542 11.495 ( 0.000 1.891 0.000) 1.891 11.608 ( 0.000 8.679 0.000) 8.679 11.778 ( 0.000 8.599 0.000) 8.599 12.206 ( 0.000 -3.295 0.000) 3.295 12.223 ( 0.000 2.288 0.000) 2.288 12.434 ( 0.000 -1.750 0.000) 1.750 13.122 ( 0.000 -1.194 0.000) 1.194 13.694 ( 0.000 1.589 0.000) 1.589 13.744 ( 0.000 0.218 0.000) 0.218 13.979 ( 0.000 -5.250 0.000) 5.250 14.326 ( 0.000 9.362 0.000) 9.362 14.531 ( 0.000 0.307 0.000) 0.307 14.583 ( 0.000 -3.261 0.000) 3.261 15.109 ( 0.000 -0.758 0.000) 0.758 16.181 ( 0.000 4.892 0.000) 4.892 16.283 ( 0.000 1.008 0.000) 1.008 16.487 ( 0.000 2.965 0.000) 2.965 16.934 ( 0.000 -3.324 0.000) 3.324 17.168 ( 0.000 2.382 0.000) 2.382 17.182 ( 0.000 0.727 0.000) 0.727 17.583 ( 0.000 -6.240 0.000) 6.240 17.639 ( 0.000 -4.024 0.000) 4.024 18.011 ( 0.000 -0.058 0.000) 0.058 18.106 ( 0.000 1.905 0.000) 1.905 18.572 ( 0.000 1.150 0.000) 1.150 18.966 ( 0.000 -4.798 0.000) 4.798 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 14.249 19.599 4.547) 24.654 1.245 ( 6.526 26.609 -5.855) 28.016 1.982 ( 3.649 17.224 3.566) 17.963 2.191 ( 0.049 15.603 0.431) 15.609 2.199 ( 8.057 6.095 -2.366) 10.376 2.748 ( -3.420 -7.249 -4.893) 9.390 2.768 ( -2.383 0.050 -0.773) 2.506 2.831 ( 1.011 -2.687 -0.972) 3.031 2.984 ( -3.334 -3.768 4.573) 6.799 3.077 ( 1.799 -3.435 -6.796) 7.825 3.206 ( -7.580 -0.269 2.567) 8.008 3.385 ( -2.966 -12.071 2.965) 12.779 3.470 ( -0.538 -12.034 2.973) 12.408 3.560 ( -3.106 -9.342 3.590) 10.480 3.777 ( 7.699 -9.794 -4.393) 13.210 3.805 ( 1.632 -1.085 -1.899) 2.729 3.884 ( -1.988 8.318 -1.206) 8.637 4.302 ( -0.252 -1.898 -7.354) 7.599 4.410 ( 3.575 2.187 -1.493) 4.449 4.493 ( -1.758 5.408 0.775) 5.739 4.656 ( 1.002 6.555 3.695) 7.591 4.757 ( 0.781 4.942 2.254) 5.488 4.836 ( 1.717 0.989 -0.221) 1.994 4.910 ( 1.709 3.037 5.133) 6.204 5.042 ( 3.060 5.999 0.891) 6.793 5.482 ( 2.289 1.518 2.347) 3.613 5.553 ( -0.477 1.317 -1.038) 1.743 5.862 ( 0.844 0.896 -0.766) 1.450 6.257 ( -0.573 -7.729 0.335) 7.758 6.359 ( 1.909 -13.072 1.725) 13.322 7.205 ( -1.718 13.579 -1.861) 13.813 7.320 ( -0.033 6.568 1.573) 6.754 7.510 ( 0.630 11.553 0.223) 11.572 7.652 ( -4.276 3.713 4.377) 7.158 8.062 ( -4.241 0.843 -0.573) 4.362 8.146 ( -6.604 2.492 1.196) 7.159 8.357 ( -1.051 4.626 -5.327) 7.133 8.583 ( 3.312 -3.509 2.064) 5.248 8.752 ( -2.269 6.479 -0.136) 6.866 9.036 ( -1.186 -2.949 -3.789) 4.945 9.692 ( 0.050 4.548 -9.653) 10.671 9.775 ( -0.010 5.967 5.879) 8.376 10.286 ( 2.063 -7.375 -3.164) 8.286 10.400 ( 6.282 -5.233 7.709) 11.237 11.012 ( -0.746 5.767 -0.791) 5.868 11.231 ( -11.210 12.499 -0.327) 16.793 11.404 ( 1.181 -1.418 1.075) 2.135 11.718 ( 0.937 2.642 -2.012) 3.450 11.821 ( 3.416 2.357 2.317) 4.754 12.206 ( 1.441 -3.292 1.531) 3.906 12.342 ( 4.644 2.909 -1.843) 5.782 12.469 ( 6.172 -2.517 -4.186) 7.871 13.163 ( 3.284 0.788 1.115) 3.557 13.613 ( -6.524 4.117 -13.207) 15.295 13.764 ( 1.509 -0.820 6.257) 6.489 13.941 ( -6.465 4.358 5.941) 9.802 14.145 ( -5.763 7.364 -6.496) 11.386 14.421 ( -3.617 -2.920 6.639) 8.105 14.757 ( 4.112 -8.015 -1.715) 9.170 15.159 ( 2.981 -3.047 -1.953) 4.689 15.987 ( -9.781 7.795 -1.446) 12.591 16.458 ( 8.651 -0.595 3.367) 9.303 16.557 ( 3.673 4.820 2.371) 6.507 16.866 ( -4.450 -2.128 -1.882) 5.280 17.132 ( -3.453 1.325 -3.616) 5.172 17.163 ( -1.698 2.022 1.736) 3.160 17.397 ( -5.172 0.817 4.517) 6.915 17.807 ( 5.870 -8.606 -2.401) 10.690 18.020 ( 0.480 -1.056 0.321) 1.204 18.081 ( -1.703 1.348 -0.701) 2.282 18.598 ( 1.739 1.129 1.519) 2.570 18.927 ( -2.508 -3.357 -1.287) 4.383 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 10.644 20.422 -6.418) 23.907 1.545 ( 14.470 15.177 6.986) 22.103 1.930 ( -8.274 7.151 3.407) 11.454 2.155 ( -3.663 9.844 -7.846) 13.110 2.479 ( 14.588 6.040 5.572) 16.743 2.627 ( -4.774 -3.146 -1.486) 5.908 2.711 ( -2.176 -0.368 -1.853) 2.882 2.841 ( 0.627 -6.283 -3.572) 7.254 2.959 ( -1.164 -0.932 -0.832) 1.708 3.146 ( 6.638 2.593 -0.177) 7.128 3.156 ( 1.290 -3.359 -0.023) 3.599 3.320 ( -4.393 -7.616 3.211) 9.360 3.449 ( -1.218 -8.729 5.640) 10.463 3.513 ( -2.196 -9.578 1.838) 9.997 3.754 ( -4.210 -0.129 -4.598) 6.236 3.842 ( -2.526 10.190 -1.659) 10.629 3.938 ( 6.551 -10.184 -2.952) 12.464 4.297 ( 2.415 -0.349 -4.730) 5.322 4.449 ( -2.125 4.813 1.290) 5.417 4.474 ( 1.717 1.099 -0.085) 2.041 4.647 ( -2.000 6.328 2.399) 7.057 4.727 ( -2.920 3.692 -0.326) 4.718 4.839 ( -0.025 0.213 0.444) 0.493 5.001 ( 3.657 4.330 2.966) 6.397 5.146 ( 5.973 5.864 1.854) 8.573 5.455 ( -5.195 5.796 -0.278) 7.788 5.600 ( 3.870 1.366 1.087) 4.245 5.878 ( 1.081 -2.880 -0.158) 3.080 6.247 ( -0.385 -8.162 0.439) 8.183 6.411 ( 1.696 -6.836 1.272) 7.158 7.146 ( -2.802 13.111 -1.498) 13.490 7.366 ( 3.467 5.123 0.495) 6.206 7.489 ( -1.747 7.517 1.325) 7.830 7.609 ( -0.789 10.005 3.188) 10.530 7.947 ( -6.690 -2.021 -0.134) 6.990 8.000 ( -5.390 0.723 -1.195) 5.568 8.305 ( -2.116 6.337 -2.542) 7.148 8.672 ( 3.775 -2.984 2.884) 5.610 8.699 ( -2.265 6.661 -0.181) 7.038 8.983 ( -2.463 -4.224 -4.059) 6.355 9.680 ( 0.894 3.731 -7.364) 8.303 9.778 ( -0.878 7.830 3.947) 8.813 10.315 ( 1.159 -9.562 -0.793) 9.665 10.587 ( 7.916 -7.019 5.834) 12.082 10.978 ( -1.869 7.936 -1.362) 8.266 11.094 ( -2.482 11.421 0.716) 11.709 11.436 ( 1.258 -3.841 -0.047) 4.042 11.706 ( -0.296 2.662 -2.171) 3.448 11.862 ( -0.369 -0.054 2.740) 2.765 12.262 ( 2.524 -1.282 4.384) 5.219 12.352 ( -0.283 -0.110 -7.508) 7.514 12.632 ( 6.680 0.811 -1.299) 6.853 13.246 ( 3.387 6.321 1.127) 7.259 13.410 ( -6.377 8.224 -8.187) 13.241 13.712 ( -8.561 5.896 0.892) 10.433 13.928 ( 6.647 -2.523 5.952) 9.272 14.101 ( -0.455 7.526 0.538) 7.559 14.388 ( -1.918 -12.068 2.128) 12.403 14.742 ( -2.908 -8.039 -2.983) 9.054 15.162 ( -1.807 -5.039 -2.750) 6.018 15.830 ( -4.674 15.780 0.309) 16.460 16.589 ( 1.808 2.821 1.848) 3.826 16.618 ( 4.145 1.741 3.229) 5.535 16.827 ( -0.395 -1.163 -2.656) 2.926 17.028 ( -4.082 -1.252 -0.806) 4.345 17.134 ( -1.011 2.154 0.425) 2.417 17.392 ( 1.625 0.958 1.971) 2.728 17.876 ( 1.775 -8.159 -1.100) 8.422 18.011 ( -1.418 0.739 0.576) 1.700 18.059 ( 0.025 -2.124 -0.757) 2.255 18.634 ( 1.043 1.893 1.145) 2.446 18.883 ( -1.168 -2.690 -0.991) 3.095 ======================= Grid point 17 (12/100) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 14.676 0.000) 14.676 1.767 ( -0.000 14.372 -0.000) 14.372 1.779 ( -0.000 10.476 0.000) 10.476 2.037 ( -0.000 8.087 -0.000) 8.087 2.574 ( -0.000 -4.347 -0.000) 4.347 2.661 ( 0.000 -6.024 0.000) 6.024 2.777 ( -0.000 -0.908 -0.000) 0.908 2.778 ( 0.000 1.417 0.000) 1.417 2.920 ( -0.000 -3.045 -0.000) 3.045 3.198 ( -0.000 -11.779 -0.000) 11.779 3.216 ( 0.000 1.550 0.000) 1.550 3.331 ( -0.000 -4.808 0.000) 4.808 3.411 ( 0.000 12.979 -0.000) 12.979 3.491 ( 0.000 -10.871 0.000) 10.871 3.678 ( -0.000 -4.601 -0.000) 4.601 3.792 ( -0.000 5.906 -0.000) 5.906 4.009 ( -0.000 -9.290 0.000) 9.290 4.359 ( 0.000 4.243 -0.000) 4.243 4.392 ( 0.000 0.772 0.000) 0.772 4.493 ( -0.000 3.868 -0.000) 3.868 4.638 ( 0.000 2.329 0.000) 2.329 4.673 ( -0.000 5.959 -0.000) 5.959 4.843 ( -0.000 0.916 0.000) 0.916 5.046 ( -0.000 5.012 -0.000) 5.012 5.292 ( -0.000 9.015 -0.000) 9.015 5.311 ( 0.000 3.354 0.000) 3.354 5.655 ( -0.000 1.686 -0.000) 1.686 5.894 ( 0.000 -4.434 -0.000) 4.434 6.244 ( 0.000 -8.451 -0.000) 8.451 6.427 ( -0.000 -2.996 0.000) 2.996 7.110 ( 0.000 13.520 0.000) 13.520 7.392 ( 0.000 10.736 -0.000) 10.736 7.515 ( -0.000 0.223 -0.000) 0.223 7.599 ( -0.000 12.389 0.000) 12.389 7.841 ( 0.000 -5.051 0.000) 5.051 7.945 ( 0.000 -0.044 -0.000) 0.044 8.276 ( -0.000 7.392 0.000) 7.392 8.672 ( 0.000 7.177 -0.000) 7.177 8.727 ( -0.000 -3.057 -0.000) 3.057 8.940 ( 0.000 -4.845 0.000) 4.845 9.681 ( 0.000 3.379 -0.000) 3.379 9.772 ( -0.000 8.878 0.000) 8.878 10.327 ( 0.000 -9.993 0.000) 9.993 10.694 ( 0.000 -9.370 0.000) 9.370 10.954 ( -0.000 9.044 0.000) 9.044 11.074 ( -0.000 9.610 -0.000) 9.610 11.449 ( 0.000 -5.027 -0.000) 5.027 11.705 ( -0.000 1.728 0.000) 1.728 11.850 ( 0.000 1.575 0.000) 1.575 12.310 ( 0.000 -4.943 0.000) 4.943 12.325 ( -0.000 3.672 -0.000) 3.672 12.701 ( 0.000 2.208 0.000) 2.208 13.255 ( -0.000 12.046 0.000) 12.046 13.385 ( -0.000 4.803 -0.000) 4.803 13.582 ( 0.000 6.479 0.000) 6.479 14.071 ( 0.000 -6.232 -0.000) 6.232 14.088 ( -0.000 10.565 0.000) 10.565 14.333 ( 0.000 -16.467 0.000) 16.467 14.703 ( 0.000 -7.200 0.000) 7.200 15.124 ( -0.000 -4.957 -0.000) 4.957 15.783 ( -0.000 19.513 -0.000) 19.513 16.624 ( -0.000 0.938 -0.000) 0.938 16.704 ( -0.000 5.149 -0.000) 5.149 16.761 ( 0.000 -1.924 0.000) 1.924 16.997 ( 0.000 -3.888 0.000) 3.888 17.124 ( 0.000 2.049 -0.000) 2.049 17.418 ( -0.000 0.953 -0.000) 0.953 17.892 ( -0.000 -8.547 0.000) 8.547 17.992 ( 0.000 1.799 -0.000) 1.799 18.061 ( 0.000 -3.099 -0.000) 3.099 18.646 ( 0.000 2.425 0.000) 2.425 18.871 ( 0.000 -2.729 -0.000) 2.729 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 21.336 0.000) 21.336 1.735 ( 0.000 26.375 0.000) 26.375 2.132 ( 0.000 0.960 0.000) 0.960 2.216 ( 0.000 5.666 0.000) 5.666 2.398 ( 0.000 4.101 0.000) 4.101 2.639 ( 0.000 -7.644 0.000) 7.644 2.710 ( 0.000 -3.558 0.000) 3.558 2.872 ( 0.000 -6.099 0.000) 6.099 2.979 ( 0.000 -6.059 0.000) 6.059 3.159 ( 0.000 21.900 0.000) 21.900 3.183 ( 0.000 -10.169 0.000) 10.169 3.184 ( 0.000 -11.256 0.000) 11.256 3.223 ( 0.000 -5.585 0.000) 5.585 3.370 ( 0.000 -11.246 0.000) 11.246 3.515 ( 0.000 -10.315 0.000) 10.315 3.867 ( 0.000 11.397 0.000) 11.397 4.039 ( 0.000 6.619 0.000) 6.619 4.149 ( 0.000 -9.233 0.000) 9.233 4.495 ( 0.000 4.270 0.000) 4.270 4.624 ( 0.000 4.576 0.000) 4.576 4.788 ( 0.000 6.587 0.000) 6.587 4.813 ( 0.000 3.392 0.000) 3.392 4.873 ( 0.000 4.922 0.000) 4.922 4.932 ( 0.000 2.421 0.000) 2.421 5.147 ( 0.000 5.971 0.000) 5.971 5.452 ( 0.000 0.909 0.000) 0.909 5.557 ( 0.000 -1.856 0.000) 1.856 5.897 ( 0.000 2.968 0.000) 2.968 6.001 ( 0.000 -19.606 0.000) 19.606 6.117 ( 0.000 -6.445 0.000) 6.445 7.459 ( 0.000 5.938 0.000) 5.938 7.497 ( 0.000 11.601 0.000) 11.601 7.709 ( 0.000 8.272 0.000) 8.272 7.723 ( 0.000 1.932 0.000) 1.932 8.175 ( 0.000 3.844 0.000) 3.844 8.217 ( 0.000 -1.665 0.000) 1.665 8.432 ( 0.000 1.716 0.000) 1.716 8.475 ( 0.000 -3.120 0.000) 3.120 8.962 ( 0.000 10.546 0.000) 10.546 9.029 ( 0.000 0.364 0.000) 0.364 9.803 ( 0.000 0.342 0.000) 0.342 9.853 ( 0.000 7.147 0.000) 7.147 10.134 ( 0.000 -10.741 0.000) 10.741 10.175 ( 0.000 -4.912 0.000) 4.912 11.136 ( 0.000 5.418 0.000) 5.418 11.329 ( 0.000 -2.141 0.000) 2.141 11.549 ( 0.000 3.230 0.000) 3.230 11.727 ( 0.000 1.592 0.000) 1.592 11.963 ( 0.000 9.750 0.000) 9.750 12.198 ( 0.000 2.954 0.000) 2.954 12.271 ( 0.000 2.564 0.000) 2.564 12.392 ( 0.000 -2.367 0.000) 2.367 13.130 ( 0.000 3.051 0.000) 3.051 13.726 ( 0.000 1.132 0.000) 1.132 13.771 ( 0.000 1.806 0.000) 1.806 13.819 ( 0.000 -10.430 0.000) 10.430 14.481 ( 0.000 4.147 0.000) 4.147 14.525 ( 0.000 -2.250 0.000) 2.250 14.584 ( 0.000 6.692 0.000) 6.692 15.052 ( 0.000 -4.929 0.000) 4.929 16.296 ( 0.000 5.971 0.000) 5.971 16.323 ( 0.000 2.917 0.000) 2.917 16.555 ( 0.000 4.124 0.000) 4.124 16.859 ( 0.000 -4.238 0.000) 4.238 17.200 ( 0.000 1.255 0.000) 1.255 17.219 ( 0.000 2.725 0.000) 2.725 17.458 ( 0.000 -6.304 0.000) 6.304 17.529 ( 0.000 -6.680 0.000) 6.680 18.032 ( 0.000 1.917 0.000) 1.917 18.125 ( 0.000 0.036 0.000) 0.036 18.603 ( 0.000 2.125 0.000) 2.125 18.861 ( 0.000 -5.701 0.000) 5.701 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 9.159 18.246 2.449) 20.562 1.755 ( 2.979 24.293 -6.794) 25.400 2.157 ( -0.836 5.533 4.020) 6.890 2.263 ( 4.620 0.407 -0.171) 4.641 2.418 ( 2.390 5.418 -2.215) 6.323 2.621 ( -5.814 -5.633 -1.419) 8.219 2.638 ( 0.435 -7.949 -1.178) 8.048 2.927 ( 1.517 -1.633 1.581) 2.733 2.989 ( 3.726 -6.308 -7.632) 10.580 3.077 ( -8.796 5.276 -1.425) 10.355 3.095 ( -4.331 -2.320 3.869) 6.254 3.213 ( 1.803 -4.589 3.539) 6.069 3.281 ( 3.672 -0.426 2.683) 4.567 3.345 ( -2.519 -10.643 -1.012) 10.984 3.542 ( 5.365 -11.241 -3.720) 12.999 3.855 ( -0.637 6.066 4.449) 7.549 4.106 ( 1.771 5.978 -1.714) 6.466 4.195 ( 4.190 -4.150 -3.969) 7.108 4.477 ( -1.215 4.034 1.276) 4.402 4.610 ( -2.096 5.649 -2.910) 6.692 4.763 ( 0.900 4.862 -0.649) 4.988 4.829 ( -1.612 2.246 1.467) 3.130 4.859 ( -0.709 0.969 0.691) 1.386 4.992 ( 4.120 4.232 5.032) 7.759 5.163 ( 2.219 6.532 -0.141) 6.900 5.498 ( 3.491 0.129 2.632) 4.374 5.580 ( 1.815 1.016 -0.645) 2.178 5.887 ( -1.730 0.950 -0.077) 1.975 6.039 ( 3.835 -15.665 0.205) 16.129 6.133 ( 2.119 -7.030 0.974) 7.406 7.429 ( -2.531 7.234 0.718) 7.697 7.486 ( -0.940 10.759 0.003) 10.800 7.662 ( -2.587 3.936 -1.425) 4.921 7.759 ( 1.677 5.957 1.027) 6.273 8.101 ( -6.463 2.714 1.190) 7.110 8.148 ( -6.686 -1.119 2.070) 7.088 8.418 ( -0.319 1.357 -4.850) 5.046 8.514 ( 2.938 -2.954 0.470) 4.193 8.930 ( -2.487 9.172 0.715) 9.530 9.017 ( -1.161 2.155 -2.149) 3.257 9.758 ( -1.504 1.303 -6.186) 6.498 9.893 ( 1.244 5.840 3.898) 7.131 10.108 ( -0.107 -9.834 -1.470) 9.944 10.272 ( 5.778 -7.116 5.590) 10.736 11.119 ( -1.113 4.997 -1.186) 5.255 11.316 ( -0.724 -1.781 -3.012) 3.573 11.489 ( -4.947 7.789 5.688) 10.840 11.740 ( 0.538 -0.610 1.075) 1.348 11.934 ( -3.022 7.835 -2.276) 8.701 12.182 ( 2.457 1.214 1.836) 3.298 12.368 ( 0.010 -0.642 -4.206) 4.255 12.451 ( 10.520 0.580 -1.457) 10.636 13.205 ( 6.130 4.210 2.054) 7.714 13.676 ( -3.620 2.620 -7.046) 8.344 13.760 ( -0.298 -0.086 3.658) 3.671 13.873 ( 2.712 -9.429 4.368) 10.740 14.271 ( -11.670 5.961 -3.622) 13.596 14.491 ( -5.306 6.607 4.296) 9.500 14.635 ( 1.351 -3.475 -3.035) 4.807 15.065 ( 0.513 -6.397 -1.935) 6.703 16.161 ( -4.542 9.309 -0.390) 10.365 16.454 ( 5.585 -0.221 2.780) 6.242 16.649 ( 5.624 4.611 4.370) 8.484 16.820 ( -2.951 -2.329 1.486) 4.042 17.162 ( -3.414 1.878 -4.459) 5.922 17.210 ( -1.324 2.796 -0.207) 3.101 17.368 ( -2.866 -3.161 1.150) 4.419 17.610 ( 3.826 -10.437 -2.899) 11.488 18.035 ( 0.169 1.728 0.178) 1.746 18.102 ( -1.782 0.412 -0.276) 1.850 18.626 ( 1.717 1.843 1.166) 2.776 18.845 ( -1.101 -4.713 -0.879) 4.919 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 7.033 16.707 -5.773) 19.024 1.827 ( 9.270 16.170 0.892) 18.660 2.092 ( -5.389 8.914 7.503) 12.837 2.308 ( -2.648 3.582 -9.594) 10.578 2.479 ( 3.415 -0.384 4.217) 5.440 2.538 ( -0.720 -3.343 0.195) 3.426 2.673 ( 3.320 -7.347 -2.151) 8.345 2.862 ( -7.296 3.790 -0.508) 8.237 2.910 ( -2.967 -2.258 -0.596) 3.776 2.979 ( -3.214 -11.671 -2.744) 12.413 3.179 ( 5.683 0.319 -0.281) 5.699 3.248 ( 1.896 -6.725 5.004) 8.594 3.306 ( 0.108 -10.272 -2.264) 10.519 3.386 ( 7.108 9.767 3.220) 12.501 3.693 ( 7.283 -10.616 -2.563) 13.127 3.822 ( -4.046 4.168 0.166) 5.811 4.052 ( -5.411 4.120 -3.490) 7.644 4.265 ( 3.305 -1.598 1.054) 3.819 4.442 ( -3.110 0.477 2.648) 4.112 4.589 ( 1.789 7.123 -3.214) 8.017 4.737 ( -5.253 2.088 0.910) 5.726 4.786 ( 0.105 4.119 -1.744) 4.474 4.871 ( 1.143 1.454 1.171) 2.189 5.093 ( 3.476 2.871 3.397) 5.645 5.250 ( 5.636 5.156 0.354) 7.647 5.531 ( -4.115 0.132 2.175) 4.656 5.636 ( 5.296 3.923 -1.177) 6.695 5.856 ( -0.401 0.623 -0.214) 0.771 6.092 ( 0.783 -6.978 2.520) 7.460 6.253 ( 7.136 -8.828 -0.029) 11.351 7.380 ( -1.690 9.524 1.225) 9.750 7.477 ( 0.859 7.431 -0.935) 7.539 7.604 ( -2.356 4.058 -0.078) 4.693 7.791 ( 1.007 4.799 -1.010) 5.007 7.917 ( -10.641 0.378 2.754) 10.998 8.005 ( -5.443 0.124 -0.588) 5.476 8.400 ( -0.318 3.298 -2.366) 4.072 8.576 ( 2.333 -4.570 0.367) 5.144 8.889 ( -1.060 8.564 0.947) 8.681 8.966 ( -2.751 3.827 -2.339) 5.262 9.725 ( -0.282 0.505 -4.201) 4.241 9.912 ( 0.031 4.617 1.692) 4.917 10.119 ( 0.870 -8.731 0.281) 8.779 10.409 ( 4.964 -9.845 4.274) 11.825 11.093 ( -0.855 4.726 -1.672) 5.086 11.301 ( 0.612 2.407 -3.137) 4.001 11.406 ( -4.339 6.433 5.465) 9.491 11.734 ( -0.941 -0.211 -0.669) 1.174 11.879 ( -1.091 2.187 0.015) 2.444 12.219 ( -0.944 -4.227 -1.328) 4.530 12.391 ( 3.971 5.146 -1.407) 6.650 12.667 ( 8.374 1.246 -0.225) 8.469 13.368 ( 7.994 6.178 1.901) 10.280 13.549 ( -5.481 6.398 -6.408) 10.584 13.773 ( -1.384 -0.270 2.452) 2.829 13.908 ( -0.376 -4.249 7.974) 9.044 14.079 ( -3.534 -1.740 -6.447) 7.555 14.377 ( -5.914 5.845 2.545) 8.696 14.606 ( -2.178 -4.066 -2.290) 5.150 15.039 ( -1.988 -7.343 -2.383) 7.972 16.132 ( 0.701 14.217 1.751) 14.341 16.562 ( 3.663 -2.244 1.748) 4.638 16.703 ( -0.753 3.095 5.817) 6.632 16.833 ( 3.347 1.433 0.772) 3.722 17.027 ( -6.972 1.786 -5.363) 8.975 17.177 ( -1.165 2.117 -0.351) 2.442 17.377 ( 2.152 -2.063 -0.241) 2.991 17.654 ( 1.210 -12.242 -1.729) 12.423 18.035 ( -0.342 1.501 -0.059) 1.541 18.066 ( -1.175 0.794 0.048) 1.419 18.666 ( 1.406 1.572 1.094) 2.376 18.821 ( -0.708 -3.413 -0.870) 3.592 ======================= Grid point 24 (16/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.000 14.726 0.000) 14.726 2.010 ( 0.000 10.038 -0.000) 10.038 2.024 ( -0.000 12.909 0.000) 12.909 2.200 ( -0.000 7.352 -0.000) 7.352 2.523 ( 0.000 -0.813 -0.000) 0.813 2.553 ( -0.000 -3.895 0.000) 3.895 2.722 ( -0.000 -3.791 0.000) 3.791 2.773 ( 0.000 -1.801 -0.000) 1.801 2.877 ( -0.000 -1.561 0.000) 1.561 2.927 ( 0.000 -14.323 -0.000) 14.323 3.196 ( -0.000 -5.903 -0.000) 5.903 3.291 ( -0.000 -9.356 -0.000) 9.356 3.334 ( -0.000 5.751 0.000) 5.751 3.614 ( 0.000 0.103 0.000) 0.103 3.636 ( -0.000 10.231 -0.000) 10.231 3.787 ( 0.000 -9.150 0.000) 9.150 3.973 ( -0.000 5.124 -0.000) 5.124 4.323 ( 0.000 -7.231 0.000) 7.231 4.393 ( -0.000 1.754 0.000) 1.754 4.610 ( 0.000 6.385 0.000) 6.385 4.674 ( 0.000 2.620 -0.000) 2.620 4.777 ( 0.000 4.917 -0.000) 4.917 4.890 ( -0.000 2.625 0.000) 2.625 5.137 ( -0.000 1.775 -0.000) 1.775 5.374 ( -0.000 1.342 -0.000) 1.342 5.413 ( 0.000 3.018 -0.000) 3.018 5.711 ( 0.000 6.213 -0.000) 6.213 5.855 ( -0.000 0.501 -0.000) 0.501 6.105 ( 0.000 -5.275 -0.000) 5.275 6.337 ( -0.000 -6.271 0.000) 6.271 7.368 ( 0.000 12.357 -0.000) 12.357 7.511 ( -0.000 1.584 0.000) 1.584 7.581 ( 0.000 6.392 -0.000) 6.392 7.734 ( 0.000 -5.548 0.000) 5.548 7.825 ( -0.000 8.897 0.000) 8.897 7.942 ( 0.000 -0.378 -0.000) 0.378 8.393 ( 0.000 4.413 0.000) 4.413 8.603 ( 0.000 -5.330 0.000) 5.330 8.898 ( -0.000 10.866 -0.000) 10.866 8.910 ( 0.000 2.078 0.000) 2.078 9.717 ( 0.000 0.046 -0.000) 0.046 9.913 ( -0.000 3.894 0.000) 3.894 10.131 ( 0.000 -7.846 0.000) 7.846 10.473 ( 0.000 -11.622 0.000) 11.622 11.080 ( 0.000 4.896 0.000) 4.896 11.322 ( -0.000 13.782 0.000) 13.782 11.348 ( 0.000 -4.987 -0.000) 4.987 11.720 ( 0.000 -0.245 0.000) 0.245 11.873 ( -0.000 1.090 0.000) 1.090 12.192 ( 0.000 -7.039 0.000) 7.039 12.449 ( -0.000 8.287 -0.000) 8.287 12.760 ( 0.000 2.152 0.000) 2.152 13.456 ( 0.000 4.369 -0.000) 4.369 13.511 ( -0.000 11.386 0.000) 11.386 13.697 ( 0.000 4.596 0.000) 4.596 13.987 ( -0.000 -15.139 -0.000) 15.139 14.003 ( 0.000 -0.053 0.000) 0.053 14.301 ( -0.000 5.528 -0.000) 5.528 14.576 ( 0.000 -3.177 0.000) 3.177 15.007 ( -0.000 -6.961 -0.000) 6.961 16.149 ( -0.000 17.006 -0.000) 17.006 16.602 ( 0.000 -1.738 0.000) 1.738 16.731 ( -0.000 -0.920 -0.000) 0.920 16.861 ( 0.000 8.514 0.000) 8.514 16.924 ( 0.000 -3.040 0.000) 3.040 17.164 ( 0.000 1.882 -0.000) 1.882 17.407 ( -0.000 -1.864 0.000) 1.864 17.662 ( 0.000 -12.686 -0.000) 12.686 18.027 ( 0.000 1.631 -0.000) 1.631 18.057 ( -0.000 0.701 0.000) 0.701 18.683 ( 0.000 1.545 0.000) 1.545 18.813 ( 0.000 -3.000 -0.000) 3.000 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 15.275 0.000) 15.275 2.062 ( 0.000 -7.379 0.000) 7.379 2.202 ( 0.000 20.119 0.000) 20.119 2.329 ( 0.000 6.150 0.000) 6.150 2.429 ( 0.000 -2.218 0.000) 2.218 2.487 ( 0.000 -8.618 0.000) 8.618 2.683 ( 0.000 0.258 0.000) 0.258 2.728 ( 0.000 -6.098 0.000) 6.098 2.876 ( 0.000 -2.180 0.000) 2.180 2.953 ( 0.000 -9.231 0.000) 9.231 3.052 ( 0.000 -2.825 0.000) 2.825 3.087 ( 0.000 -6.146 0.000) 6.146 3.232 ( 0.000 0.914 0.000) 0.914 3.330 ( 0.000 -7.865 0.000) 7.865 3.643 ( 0.000 18.620 0.000) 18.620 3.933 ( 0.000 -11.895 0.000) 11.895 4.083 ( 0.000 8.400 0.000) 8.400 4.153 ( 0.000 2.495 0.000) 2.495 4.565 ( 0.000 4.032 0.000) 4.032 4.647 ( 0.000 -2.555 0.000) 2.555 4.866 ( 0.000 2.553 0.000) 2.553 4.880 ( 0.000 2.178 0.000) 2.178 4.965 ( 0.000 3.388 0.000) 3.388 4.982 ( 0.000 1.571 0.000) 1.571 5.285 ( 0.000 9.915 0.000) 9.915 5.469 ( 0.000 0.149 0.000) 0.149 5.514 ( 0.000 -1.941 0.000) 1.941 5.603 ( 0.000 -18.672 0.000) 18.672 5.957 ( 0.000 2.934 0.000) 2.934 6.018 ( 0.000 -3.721 0.000) 3.721 7.560 ( 0.000 4.149 0.000) 4.149 7.609 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 3.965 0.000) 3.965 7.812 ( 0.000 2.359 0.000) 2.359 8.203 ( 0.000 0.851 0.000) 0.851 8.224 ( 0.000 0.242 0.000) 0.242 8.433 ( 0.000 -0.932 0.000) 0.932 8.436 ( 0.000 -0.752 0.000) 0.752 9.083 ( 0.000 4.454 0.000) 4.454 9.118 ( 0.000 3.249 0.000) 3.249 9.799 ( 0.000 1.442 0.000) 1.442 9.911 ( 0.000 -8.334 0.000) 8.334 9.996 ( 0.000 4.459 0.000) 4.459 10.086 ( 0.000 -4.184 0.000) 4.184 11.227 ( 0.000 3.787 0.000) 3.787 11.287 ( 0.000 -2.404 0.000) 2.404 11.617 ( 0.000 3.699 0.000) 3.699 11.692 ( 0.000 -3.594 0.000) 3.594 12.139 ( 0.000 7.547 0.000) 7.547 12.237 ( 0.000 -1.494 0.000) 1.494 12.321 ( 0.000 2.293 0.000) 2.293 12.354 ( 0.000 -1.280 0.000) 1.280 13.274 ( 0.000 11.518 0.000) 11.518 13.545 ( 0.000 -14.575 0.000) 14.575 13.775 ( 0.000 1.578 0.000) 1.578 13.792 ( 0.000 0.079 0.000) 0.079 14.503 ( 0.000 -0.107 0.000) 0.107 14.507 ( 0.000 -0.102 0.000) 0.102 14.756 ( 0.000 9.144 0.000) 9.144 14.924 ( 0.000 -7.737 0.000) 7.737 16.379 ( 0.000 2.092 0.000) 2.092 16.382 ( 0.000 2.152 0.000) 2.152 16.654 ( 0.000 5.797 0.000) 5.797 16.766 ( 0.000 -5.251 0.000) 5.251 17.238 ( 0.000 2.637 0.000) 2.637 17.271 ( 0.000 1.681 0.000) 1.681 17.352 ( 0.000 -3.083 0.000) 3.083 17.400 ( 0.000 -5.737 0.000) 5.737 18.075 ( 0.000 2.142 0.000) 2.142 18.110 ( 0.000 -1.390 0.000) 1.390 18.660 ( 0.000 3.768 0.000) 3.768 18.751 ( 0.000 -5.268 0.000) 5.268 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 5.668 13.744 -0.315) 14.870 2.083 ( 2.866 -0.283 -6.441) 7.056 2.241 ( 1.992 9.697 5.386) 11.270 2.298 ( -3.161 4.083 3.372) 6.167 2.459 ( 2.564 -3.135 0.775) 4.124 2.478 ( -0.486 -5.094 2.314) 5.616 2.619 ( -1.713 5.182 -3.364) 6.411 2.794 ( 1.684 -11.103 -2.920) 11.603 2.890 ( -1.174 -1.322 -0.611) 1.870 2.945 ( 0.780 -6.574 -3.835) 7.651 3.087 ( 3.537 -0.620 0.808) 3.681 3.121 ( 0.853 -2.931 0.644) 3.119 3.203 ( -1.913 -0.903 -1.891) 2.837 3.301 ( 2.272 -8.395 -4.100) 9.615 3.644 ( 0.337 17.926 0.071) 17.930 3.937 ( 0.337 -10.500 0.754) 10.532 4.032 ( -2.422 7.491 2.094) 8.147 4.191 ( -0.471 -5.283 1.039) 5.405 4.610 ( 3.709 7.763 0.590) 8.624 4.685 ( 1.646 0.755 -1.979) 2.683 4.845 ( -2.707 1.311 0.107) 3.010 4.855 ( -1.067 0.424 -1.313) 1.744 4.903 ( -3.247 6.186 0.612) 7.013 5.015 ( 1.219 -2.675 2.566) 3.902 5.317 ( 2.892 9.568 -0.853) 10.032 5.486 ( 1.373 -3.184 0.679) 3.533 5.584 ( 4.828 0.102 3.020) 5.696 5.687 ( 8.115 -13.319 1.474) 15.666 5.959 ( 0.591 2.880 0.101) 2.942 6.028 ( 1.021 -4.124 0.196) 4.253 7.546 ( -1.398 4.849 1.428) 5.245 7.603 ( -0.652 0.014 1.447) 1.587 7.755 ( -2.645 5.568 -2.724) 6.739 7.817 ( -0.083 -0.211 -1.826) 1.840 8.125 ( -7.419 0.914 2.524) 7.890 8.149 ( -6.710 -0.272 1.585) 6.900 8.433 ( 1.075 0.874 -3.175) 3.464 8.464 ( 1.954 -2.238 -1.421) 3.294 9.059 ( -1.844 5.572 -0.480) 5.889 9.108 ( -1.108 2.499 0.161) 2.738 9.766 ( -1.899 1.764 -2.590) 3.664 9.879 ( -2.014 -8.411 -1.290) 8.744 10.042 ( 3.112 4.905 2.818) 6.456 10.146 ( 4.041 -5.527 3.421) 7.654 11.206 ( -1.362 3.754 -1.651) 4.321 11.269 ( -0.969 -2.777 -2.143) 3.639 11.612 ( -1.301 4.902 4.538) 6.805 11.695 ( -0.199 -3.540 3.181) 4.764 12.092 ( -5.596 7.292 -3.184) 9.728 12.194 ( -2.404 -2.269 -0.619) 3.363 12.376 ( 4.694 2.830 -2.840) 6.173 12.441 ( 8.993 -2.336 -1.008) 9.346 13.351 ( 6.210 10.666 2.778) 12.651 13.596 ( 3.961 -12.787 2.928) 13.703 13.744 ( -2.422 1.935 -2.959) 4.285 13.776 ( -1.402 -1.033 0.959) 1.988 14.382 ( -8.360 5.265 -1.000) 9.931 14.481 ( -4.629 -4.700 -0.255) 6.602 14.732 ( -1.757 9.471 -1.183) 9.705 14.915 ( -0.957 -8.695 -1.618) 8.896 16.329 ( -0.806 7.157 0.240) 7.206 16.428 ( 2.308 -2.899 1.362) 3.948 16.730 ( 4.070 3.296 5.680) 7.726 16.779 ( 0.423 -1.967 4.185) 4.644 17.214 ( -1.986 3.495 -3.975) 5.653 17.281 ( -2.739 4.209 -1.416) 5.218 17.293 ( 0.170 -3.467 -1.481) 3.773 17.417 ( 1.100 -8.725 -2.992) 9.289 18.071 ( -0.363 1.690 0.131) 1.734 18.097 ( -1.111 -0.897 -0.077) 1.430 18.675 ( 1.163 3.218 0.561) 3.467 18.752 ( 0.172 -4.474 -0.196) 4.482 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 7.126 9.794 -0.515) 12.123 2.135 ( 3.281 7.925 -7.726) 11.543 2.239 ( -2.966 3.741 6.455) 8.029 2.272 ( -0.719 -1.738 3.146) 3.665 2.479 ( 0.799 -0.220 5.503) 5.565 2.539 ( 2.401 -5.537 0.362) 6.046 2.614 ( 2.676 8.445 -5.381) 10.365 2.760 ( -3.730 -7.975 -2.839) 9.251 2.816 ( -3.459 -1.229 -3.329) 4.955 2.907 ( -2.842 -5.927 -3.539) 7.466 3.076 ( -2.855 -2.626 2.875) 4.828 3.132 ( -1.516 -6.327 0.904) 6.568 3.295 ( 11.634 7.034 -3.013) 13.925 3.467 ( 10.221 -9.725 -2.879) 14.399 3.670 ( 2.172 14.598 0.286) 14.761 3.933 ( -3.680 -8.594 -2.425) 9.658 3.973 ( -1.581 6.462 4.004) 7.764 4.159 ( -2.321 -9.045 3.606) 10.010 4.590 ( -5.236 9.604 -1.469) 11.037 4.689 ( -1.216 0.427 -2.898) 3.171 4.780 ( -1.597 4.159 1.155) 4.602 4.853 ( 0.522 -1.103 0.431) 1.294 4.896 ( 2.034 4.991 -0.538) 5.416 5.043 ( 0.988 -7.307 1.193) 7.470 5.368 ( 1.847 6.426 -0.188) 6.689 5.480 ( -2.474 -4.541 1.044) 5.276 5.751 ( 9.114 7.028 2.378) 11.752 5.865 ( 4.792 -2.388 1.240) 5.496 6.002 ( 2.935 -0.264 2.497) 3.863 6.087 ( 5.683 -7.267 -1.097) 9.290 7.523 ( -0.659 5.835 2.356) 6.327 7.599 ( 0.132 0.038 1.752) 1.757 7.674 ( -4.219 5.791 -3.164) 7.832 7.776 ( -4.447 -3.632 -2.221) 6.157 7.959 ( -6.118 2.338 1.309) 6.679 8.001 ( -6.028 -1.279 -0.183) 6.165 8.453 ( 1.091 2.313 -1.291) 2.865 8.501 ( 1.586 -2.952 -0.739) 3.432 9.019 ( -1.419 6.185 -0.492) 6.365 9.075 ( -1.743 2.479 0.167) 3.035 9.727 ( -1.066 1.715 -1.884) 2.762 9.840 ( -1.247 -8.640 -0.631) 8.753 10.112 ( 2.334 5.512 2.150) 6.360 10.237 ( 3.124 -7.285 2.768) 8.396 11.178 ( -0.622 3.992 -1.868) 4.451 11.253 ( 0.175 -3.650 -2.316) 4.326 11.587 ( -2.241 7.772 5.514) 9.790 11.695 ( -0.671 -3.605 3.190) 4.861 11.962 ( -4.131 6.211 -4.081) 8.502 12.102 ( -4.369 -7.143 -4.271) 9.399 12.525 ( 7.514 7.299 0.880) 10.513 12.643 ( 8.610 -3.919 0.612) 9.479 13.506 ( 6.156 8.343 1.851) 10.532 13.666 ( -1.228 4.380 -0.877) 4.633 13.702 ( 2.407 -9.404 0.772) 9.738 13.753 ( -0.588 -3.673 0.958) 3.841 14.184 ( -8.618 7.940 -1.585) 11.825 14.340 ( -7.249 -7.236 -0.776) 10.272 14.689 ( -1.716 9.376 -1.049) 9.589 14.876 ( -1.809 -9.080 -1.705) 9.414 16.369 ( 3.565 9.401 2.248) 10.302 16.501 ( 3.789 -4.399 2.260) 6.230 16.757 ( -1.842 3.183 4.530) 5.834 16.824 ( 0.926 -2.750 4.185) 5.092 17.124 ( -4.035 7.106 -6.078) 10.184 17.208 ( -2.025 0.053 -1.291) 2.402 17.336 ( 2.569 -0.684 -1.912) 3.275 17.429 ( 0.692 -9.706 -1.875) 9.910 18.061 ( -0.522 1.020 -0.013) 1.146 18.073 ( -0.898 -0.127 0.102) 0.913 18.702 ( 1.014 2.246 0.545) 2.524 18.756 ( 0.177 -3.124 -0.251) 3.139 ======================= Grid point 31 (20/100) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 0.000 9.940 0.000) 9.940 2.167 ( 0.000 7.269 0.000) 7.269 2.219 ( 0.000 4.525 -0.000) 4.525 2.250 ( -0.000 -2.149 -0.000) 2.149 2.518 ( 0.000 0.030 0.000) 0.030 2.550 ( -0.000 0.289 -0.000) 0.289 2.665 ( 0.000 -1.814 -0.000) 1.814 2.684 ( -0.000 -7.327 0.000) 7.327 2.764 ( 0.000 3.361 -0.000) 3.361 2.864 ( 0.000 -1.291 -0.000) 1.291 3.051 ( 0.000 -5.190 -0.000) 5.190 3.116 ( 0.000 -8.167 0.000) 8.167 3.452 ( -0.000 6.294 -0.000) 6.294 3.599 ( 0.000 -8.588 -0.000) 8.588 3.720 ( -0.000 8.895 -0.000) 8.895 3.823 ( -0.000 4.793 0.000) 4.793 3.976 ( 0.000 -0.431 -0.000) 0.431 4.132 ( 0.000 -11.018 0.000) 11.018 4.519 ( 0.000 8.803 0.000) 8.803 4.639 ( 0.000 -2.576 -0.000) 2.576 4.786 ( 0.000 6.288 0.000) 6.288 4.854 ( 0.000 1.033 -0.000) 1.033 4.927 ( 0.000 3.100 0.000) 3.100 5.058 ( -0.000 -8.052 -0.000) 8.052 5.401 ( -0.000 1.910 0.000) 1.910 5.429 ( 0.000 -0.697 -0.000) 0.697 5.876 ( 0.000 7.010 0.000) 7.010 5.893 ( -0.000 2.412 -0.000) 2.412 6.048 ( 0.000 0.887 -0.000) 0.887 6.181 ( -0.000 -9.195 0.000) 9.195 7.552 ( -0.000 2.965 -0.000) 2.965 7.579 ( 0.000 8.182 0.000) 8.182 7.631 ( 0.000 -4.588 0.000) 4.588 7.662 ( -0.000 0.652 -0.000) 0.652 7.918 ( -0.000 1.176 -0.000) 1.176 7.927 ( 0.000 -0.804 0.000) 0.804 8.464 ( 0.000 2.897 -0.000) 2.897 8.518 ( 0.000 -3.171 0.000) 3.171 9.003 ( -0.000 5.938 0.000) 5.938 9.053 ( 0.000 2.974 -0.000) 2.974 9.713 ( 0.000 1.553 -0.000) 1.553 9.826 ( 0.000 -8.761 0.000) 8.761 10.141 ( 0.000 5.816 0.000) 5.816 10.277 ( 0.000 -8.090 -0.000) 8.090 11.169 ( 0.000 4.322 -0.000) 4.322 11.255 ( 0.000 -4.469 -0.000) 4.469 11.565 ( 0.000 9.860 -0.000) 9.860 11.690 ( 0.000 -3.250 0.000) 3.250 11.916 ( -0.000 3.960 0.000) 3.960 12.039 ( 0.000 -7.913 -0.000) 7.913 12.620 ( 0.000 8.306 -0.000) 8.306 12.746 ( 0.000 -3.853 0.000) 3.853 13.551 ( -0.000 6.303 -0.000) 6.303 13.694 ( -0.000 6.091 0.000) 6.091 13.718 ( 0.000 -9.571 -0.000) 9.571 13.753 ( 0.000 -1.440 -0.000) 1.440 14.077 ( 0.000 7.124 0.000) 7.124 14.243 ( -0.000 -8.355 0.000) 8.355 14.667 ( 0.000 9.258 0.000) 9.258 14.851 ( 0.000 -8.825 -0.000) 8.825 16.428 ( -0.000 10.623 -0.000) 10.623 16.558 ( 0.000 -3.374 0.000) 3.374 16.738 ( -0.000 2.157 -0.000) 2.157 16.820 ( 0.000 -5.333 0.000) 5.333 17.069 ( 0.000 9.823 0.000) 9.823 17.185 ( -0.000 -0.846 -0.000) 0.846 17.366 ( -0.000 -1.282 0.000) 1.282 17.433 ( 0.000 -9.217 -0.000) 9.217 18.053 ( 0.000 1.015 -0.000) 1.015 18.064 ( -0.000 -0.064 0.000) 0.064 18.715 ( 0.000 1.798 0.000) 1.798 18.757 ( 0.000 -2.532 -0.000) 2.532 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 14.077 0.000 21.900) 26.034 0.656 ( 3.987 0.000 30.532) 30.791 1.055 ( 1.033 0.000 48.615) 48.626 1.855 ( -5.882 0.000 -8.181) 10.076 2.187 ( -4.304 0.000 10.770) 11.598 2.809 ( 3.851 0.000 -4.452) 5.886 2.841 ( 1.764 0.000 -13.160) 13.277 2.949 ( 2.285 0.000 -4.371) 4.932 3.007 ( -1.630 0.000 1.341) 2.111 3.107 ( -0.665 0.000 8.990) 9.015 3.351 ( -1.611 0.000 10.870) 10.989 3.479 ( -3.234 0.000 1.049) 3.400 3.671 ( -3.310 0.000 -2.254) 4.005 3.853 ( -0.380 0.000 3.329) 3.351 3.914 ( 0.520 0.000 1.551) 1.636 3.939 ( -4.184 0.000 -12.581) 13.258 4.009 ( -0.632 0.000 -3.765) 3.818 4.057 ( 0.564 0.000 -9.191) 9.209 4.255 ( 2.140 0.000 -10.127) 10.350 4.501 ( -8.019 0.000 10.066) 12.870 4.524 ( 4.201 0.000 1.349) 4.412 4.553 ( 12.401 0.000 3.336) 12.842 4.719 ( 4.180 0.000 1.595) 4.474 4.857 ( -0.235 0.000 1.394) 1.413 5.010 ( 3.620 0.000 -3.734) 5.201 5.446 ( 0.245 0.000 1.323) 1.346 5.459 ( 0.562 0.000 -6.217) 6.242 5.989 ( 4.908 0.000 12.761) 13.672 6.242 ( 3.369 0.000 -7.534) 8.253 6.642 ( -0.787 0.000 -2.975) 3.077 6.873 ( -2.874 0.000 -0.115) 2.876 7.156 ( 12.649 0.000 1.210) 12.707 7.210 ( 0.853 0.000 -1.612) 1.823 7.290 ( -1.202 0.000 -2.291) 2.587 8.034 ( -0.339 0.000 1.646) 1.681 8.072 ( -0.726 0.000 -2.410) 2.517 8.394 ( -4.676 0.000 4.599) 6.558 8.641 ( -1.769 0.000 1.786) 2.514 8.740 ( 1.526 0.000 -1.202) 1.942 9.492 ( 0.486 0.000 -8.005) 8.020 9.703 ( 0.190 0.000 7.807) 7.810 10.256 ( 0.603 0.000 -0.705) 0.928 10.542 ( 2.496 0.000 5.286) 5.845 10.639 ( -0.630 0.000 1.597) 1.717 10.842 ( -1.443 0.000 -2.502) 2.888 10.984 ( -34.249 0.000 -1.325) 34.274 11.494 ( -27.723 0.000 2.799) 27.864 11.596 ( 0.039 0.000 1.079) 1.079 11.771 ( 3.970 0.000 0.538) 4.006 12.047 ( 0.709 0.000 -2.975) 3.058 12.150 ( -1.627 0.000 -1.680) 2.338 12.271 ( 0.776 0.000 -2.984) 3.084 12.902 ( 0.432 0.000 3.021) 3.052 13.152 ( -0.517 0.000 -0.673) 0.849 13.823 ( 4.500 0.000 1.902) 4.885 14.021 ( -3.619 0.000 -1.141) 3.795 14.100 ( -10.646 0.000 3.882) 11.332 14.558 ( 3.159 0.000 -0.281) 3.172 14.848 ( 21.166 0.000 1.400) 21.212 14.956 ( 1.838 0.000 -0.859) 2.029 15.845 ( -5.812 0.000 2.728) 6.420 16.335 ( 5.941 0.000 5.301) 7.962 16.418 ( 1.253 0.000 -0.068) 1.255 16.765 ( -3.458 0.000 -1.706) 3.856 16.936 ( 0.464 0.000 -13.549) 13.557 17.213 ( -0.632 0.000 4.342) 4.388 17.658 ( -4.916 0.000 -5.761) 7.573 17.738 ( 12.452 0.000 -12.054) 17.331 18.134 ( 0.407 0.000 5.460) 5.475 18.493 ( -0.202 0.000 10.980) 10.982 18.534 ( -0.108 0.000 -1.326) 1.330 18.930 ( -0.171 0.000 -0.651) 0.673 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.324 0.000 23.889) 27.354 0.961 ( 15.307 0.000 24.724) 29.079 1.543 ( 32.590 0.000 30.683) 44.761 1.810 ( 3.460 0.000 -9.683) 10.282 2.099 ( -6.656 0.000 9.666) 11.736 2.808 ( -7.508 0.000 -2.229) 7.832 2.821 ( 0.114 0.000 -14.294) 14.294 2.860 ( -4.156 0.000 -0.768) 4.226 3.014 ( 3.887 0.000 -3.076) 4.957 3.147 ( 1.900 0.000 11.519) 11.675 3.289 ( -5.471 0.000 7.635) 9.393 3.457 ( -1.668 0.000 -3.991) 4.325 3.589 ( -4.588 0.000 -3.098) 5.536 3.791 ( -2.484 0.000 -12.523) 12.767 3.800 ( -4.852 0.000 2.546) 5.479 3.869 ( -2.870 0.000 0.488) 2.911 4.058 ( 4.316 0.000 -5.715) 7.162 4.151 ( 7.458 0.000 -6.798) 10.092 4.327 ( 5.709 0.000 -6.473) 8.631 4.371 ( -6.439 0.000 11.535) 13.210 4.612 ( 1.627 0.000 4.197) 4.501 4.688 ( -0.621 0.000 0.073) 0.625 4.749 ( -0.023 0.000 -8.135) 8.135 4.930 ( 5.761 0.000 7.721) 9.634 4.994 ( -3.531 0.000 -0.363) 3.550 5.410 ( -2.726 0.000 -6.570) 7.113 5.452 ( -0.197 0.000 -1.895) 1.906 6.121 ( 2.836 0.000 7.841) 8.338 6.294 ( 3.537 0.000 -5.461) 6.506 6.612 ( -1.994 0.000 -4.530) 4.949 6.843 ( -1.101 0.000 -1.432) 1.806 7.172 ( -4.619 0.000 -1.035) 4.734 7.263 ( 0.494 0.000 -2.651) 2.697 7.390 ( 7.408 0.000 -6.413) 9.798 8.023 ( -2.920 0.000 -2.216) 3.666 8.032 ( -0.522 0.000 0.133) 0.539 8.277 ( -6.651 0.000 8.285) 10.624 8.551 ( -4.759 0.000 -0.322) 4.770 8.779 ( 2.343 0.000 -0.700) 2.445 9.459 ( -1.651 0.000 -6.612) 6.815 9.515 ( -21.600 0.000 22.139) 30.930 9.926 ( -14.842 0.000 28.185) 31.854 10.328 ( 5.771 0.000 -3.224) 6.611 10.633 ( 1.992 0.000 4.059) 4.521 10.662 ( 4.709 0.000 4.307) 6.382 10.862 ( 0.689 0.000 -1.397) 1.558 11.457 ( 3.172 0.000 -0.145) 3.176 11.605 ( 0.341 0.000 1.933) 1.963 11.959 ( -5.194 0.000 -3.953) 6.527 12.214 ( 7.433 0.000 -10.062) 12.510 12.226 ( 6.044 0.000 -0.956) 6.119 12.395 ( 16.838 0.000 -8.684) 18.945 12.908 ( -0.196 0.000 3.623) 3.629 13.129 ( -1.008 0.000 -1.567) 1.863 13.838 ( -11.781 0.000 -2.919) 12.137 13.895 ( -0.999 0.000 4.864) 4.965 14.059 ( 7.576 0.000 10.439) 12.898 14.650 ( 4.743 0.000 1.521) 4.981 15.040 ( 5.410 0.000 -1.041) 5.509 15.067 ( -3.137 0.000 -17.280) 17.563 15.664 ( -11.118 0.000 1.282) 11.192 16.408 ( 1.576 0.000 7.778) 7.936 16.482 ( 4.771 0.000 -2.019) 5.181 16.788 ( 3.072 0.000 -3.420) 4.597 16.904 ( 0.002 0.000 -14.332) 14.332 17.193 ( -1.427 0.000 3.888) 4.142 17.400 ( -6.405 0.000 -6.672) 9.249 17.954 ( 4.094 0.000 3.089) 5.128 18.180 ( 1.615 0.000 2.989) 3.397 18.408 ( -6.553 0.000 9.984) 11.942 18.515 ( -1.140 0.000 -1.192) 1.650 18.923 ( -0.208 0.000 -1.045) 1.066 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 10.694 0.000 13.326) 17.086 1.304 ( 11.516 0.000 23.779) 26.420 1.873 ( 2.356 0.000 -0.903) 2.523 1.904 ( -10.237 0.000 8.271) 13.161 2.394 ( 33.162 0.000 20.141) 38.799 2.634 ( -3.707 0.000 -2.554) 4.502 2.763 ( -2.100 0.000 -12.913) 13.083 2.829 ( -0.166 0.000 -1.139) 1.151 3.058 ( -1.005 0.000 -0.965) 1.393 3.206 ( -1.412 0.000 -3.151) 3.453 3.225 ( -2.879 0.000 11.940) 12.282 3.337 ( -1.835 0.000 -7.067) 7.302 3.430 ( -9.953 0.000 -0.988) 10.002 3.719 ( -2.806 0.000 -1.596) 3.228 3.814 ( -1.858 0.000 5.027) 5.359 3.818 ( 6.844 0.000 -12.975) 14.669 4.132 ( 4.018 0.000 -6.436) 7.587 4.188 ( -3.421 0.000 4.143) 5.373 4.348 ( 1.326 0.000 3.465) 3.710 4.406 ( 1.347 0.000 -1.910) 2.337 4.587 ( -4.642 0.000 7.108) 8.489 4.624 ( -3.924 0.000 3.263) 5.103 4.738 ( 2.711 0.000 -10.710) 11.047 4.938 ( -1.168 0.000 1.290) 1.740 5.054 ( 2.091 0.000 1.761) 2.734 5.357 ( 0.326 0.000 -6.047) 6.056 5.424 ( -1.198 0.000 -3.699) 3.888 6.169 ( 0.050 0.000 7.767) 7.767 6.373 ( 5.220 0.000 -4.678) 7.009 6.511 ( -5.741 0.000 -5.567) 7.997 6.795 ( -2.932 0.000 0.585) 2.990 7.049 ( -5.318 0.000 -1.373) 5.492 7.290 ( 1.868 0.000 -0.434) 1.917 7.470 ( 2.334 0.000 -3.702) 4.377 7.957 ( -2.241 0.000 -1.633) 2.773 7.988 ( -2.968 0.000 -0.598) 3.028 8.194 ( -3.387 0.000 8.812) 9.441 8.493 ( -0.680 0.000 -2.094) 2.202 8.824 ( 1.704 0.000 -1.589) 2.331 9.291 ( -5.842 0.000 17.180) 18.147 9.397 ( -2.073 0.000 -4.482) 4.938 9.877 ( -1.727 0.000 21.144) 21.214 10.432 ( 4.542 0.000 -6.726) 8.116 10.660 ( 0.931 0.000 0.013) 0.931 10.815 ( 5.677 0.000 5.977) 8.243 10.871 ( 0.533 0.000 -1.425) 1.521 11.524 ( 2.795 0.000 -0.329) 2.815 11.628 ( 1.425 0.000 3.194) 3.497 11.830 ( -5.649 0.000 -4.085) 6.971 12.255 ( 1.441 0.000 -5.254) 5.448 12.357 ( 5.912 0.000 1.113) 6.016 12.694 ( 11.746 0.000 -6.084) 13.228 12.935 ( 1.777 0.000 3.527) 3.950 13.113 ( 0.367 0.000 -3.381) 3.401 13.560 ( -12.250 0.000 -1.497) 12.341 13.885 ( -0.934 0.000 4.591) 4.685 14.332 ( 12.693 0.000 12.613) 17.894 14.754 ( 4.327 0.000 -1.154) 4.478 14.780 ( -14.750 0.000 -16.372) 22.037 15.139 ( 3.527 0.000 -2.034) 4.072 15.432 ( -9.768 0.000 4.725) 10.850 16.501 ( 3.902 0.000 7.340) 8.313 16.566 ( 3.687 0.000 -6.662) 7.614 16.781 ( -1.601 0.000 -4.329) 4.615 16.859 ( -0.165 0.000 -15.577) 15.578 17.199 ( 0.388 0.000 4.191) 4.209 17.323 ( -1.348 0.000 -5.131) 5.305 18.013 ( 0.955 0.000 6.220) 6.293 18.193 ( -2.033 0.000 10.617) 10.810 18.331 ( -2.179 0.000 0.412) 2.218 18.489 ( -0.877 0.000 -0.672) 1.105 18.917 ( 0.050 0.000 -1.366) 1.366 ======================= Grid point 66 (24/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -9.685 0.000 3.443) 10.279 1.461 ( -8.727 0.000 17.345) 19.416 1.790 ( 3.774 0.000 14.158) 14.652 1.980 ( 8.226 0.000 11.510) 14.147 2.509 ( -18.562 0.000 -7.907) 20.176 2.649 ( 4.364 0.000 -5.523) 7.039 2.852 ( 2.171 0.000 -0.327) 2.195 2.925 ( -3.207 0.000 -4.557) 5.572 3.005 ( -12.447 0.000 0.208) 12.449 3.092 ( 16.785 0.000 11.921) 20.587 3.177 ( -6.406 0.000 -1.438) 6.566 3.289 ( 4.733 0.000 -8.247) 9.508 3.463 ( 7.279 0.000 5.866) 9.348 3.704 ( 3.266 0.000 0.254) 3.276 3.827 ( 0.242 0.000 8.844) 8.848 3.953 ( 8.990 0.000 -14.219) 16.822 4.112 ( -3.889 0.000 3.660) 5.340 4.189 ( 2.841 0.000 -7.080) 7.629 4.331 ( -7.215 0.000 -0.160) 7.216 4.378 ( 0.554 0.000 4.234) 4.270 4.517 ( -3.215 0.000 7.728) 8.370 4.592 ( 0.441 0.000 4.170) 4.193 4.807 ( 4.945 0.000 -9.672) 10.862 4.933 ( -0.303 0.000 0.796) 0.852 5.020 ( -3.702 0.000 -1.618) 4.040 5.340 ( -1.608 0.000 -7.691) 7.857 5.402 ( 0.253 0.000 -3.792) 3.800 6.164 ( -2.630 0.000 6.623) 7.126 6.346 ( -5.390 0.000 -11.059) 12.303 6.509 ( 6.239 0.000 0.458) 6.256 6.749 ( -1.150 0.000 2.041) 2.342 6.992 ( 0.920 0.000 -0.660) 1.132 7.313 ( 0.007 0.000 0.461) 0.461 7.452 ( -3.613 0.000 -4.639) 5.880 7.940 ( 1.300 0.000 -1.112) 1.711 7.949 ( 0.178 0.000 -0.669) 0.692 8.193 ( 1.097 0.000 10.724) 10.780 8.491 ( 0.727 0.000 -0.406) 0.833 8.821 ( -1.458 0.000 -3.241) 3.553 9.293 ( 1.508 0.000 11.160) 11.261 9.377 ( 1.563 0.000 -3.311) 3.661 9.926 ( 0.305 0.000 24.584) 24.585 10.470 ( 1.102 0.000 -8.481) 8.552 10.666 ( -0.751 0.000 0.015) 0.751 10.852 ( -4.007 0.000 1.731) 4.365 10.874 ( 0.137 0.000 -1.628) 1.633 11.561 ( 0.568 0.000 -0.036) 0.569 11.659 ( -1.240 0.000 2.824) 3.084 11.761 ( 2.357 0.000 -1.942) 3.053 12.268 ( 1.094 0.000 -4.321) 4.457 12.461 ( 2.373 0.000 4.047) 4.692 12.868 ( 5.956 0.000 0.714) 5.998 12.939 ( -3.954 0.000 0.407) 3.974 13.128 ( 1.874 0.000 -5.425) 5.740 13.436 ( 3.617 0.000 2.094) 4.180 13.871 ( -1.507 0.000 2.482) 2.904 14.301 ( -16.147 0.000 -1.616) 16.228 14.773 ( -2.589 0.000 -4.858) 5.505 14.787 ( 17.340 0.000 -0.370) 17.344 15.153 ( -1.491 0.000 -3.842) 4.121 15.371 ( 3.302 0.000 10.047) 10.576 16.484 ( -6.637 0.000 -0.007) 6.637 16.595 ( 0.977 0.000 -9.405) 9.456 16.817 ( 0.535 0.000 -15.332) 15.342 16.842 ( 7.946 0.000 2.836) 8.437 17.194 ( -2.499 0.000 3.607) 4.389 17.260 ( -3.647 0.000 -5.956) 6.984 18.035 ( -0.526 0.000 4.941) 4.969 18.176 ( -2.518 0.000 16.463) 16.654 18.302 ( -0.168 0.000 -5.668) 5.671 18.481 ( 0.360 0.000 -0.243) 0.434 18.918 ( 0.407 0.000 -1.312) 1.374 ======================= Grid point 67 (25/100) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -18.402 0.000 8.231) 20.159 1.171 ( -18.957 0.000 17.789) 25.997 1.869 ( -30.302 0.000 5.086) 30.726 2.041 ( 3.660 0.000 12.573) 13.095 2.175 ( 3.110 0.000 9.260) 9.768 2.686 ( -1.616 0.000 -10.679) 10.801 2.804 ( 1.247 0.000 1.513) 1.960 2.853 ( -0.657 0.000 -10.300) 10.320 2.959 ( 4.002 0.000 6.934) 8.006 3.022 ( -5.281 0.000 -3.874) 6.550 3.316 ( 3.811 0.000 6.895) 7.878 3.445 ( 8.790 0.000 -7.380) 11.477 3.593 ( 3.088 0.000 2.905) 4.239 3.814 ( 1.779 0.000 5.230) 5.524 3.859 ( 0.870 0.000 6.378) 6.437 4.089 ( 1.906 0.000 1.147) 2.224 4.099 ( 6.270 0.000 -13.831) 15.186 4.110 ( -7.188 0.000 -1.194) 7.287 4.263 ( 1.755 0.000 -4.818) 5.128 4.380 ( -1.224 0.000 3.751) 3.945 4.493 ( -0.816 0.000 6.043) 6.098 4.678 ( 5.947 0.000 2.464) 6.437 4.780 ( -6.788 0.000 -7.664) 10.238 4.914 ( -2.020 0.000 1.243) 2.372 4.936 ( -2.873 0.000 -2.649) 3.908 5.315 ( 3.437 0.000 -6.918) 7.725 5.406 ( 0.839 0.000 -2.861) 2.982 6.092 ( -5.649 0.000 6.115) 8.325 6.225 ( -2.288 0.000 -11.427) 11.653 6.634 ( 4.413 0.000 -0.092) 4.414 6.772 ( 2.663 0.000 3.481) 4.383 7.066 ( 5.168 0.000 -1.238) 5.314 7.298 ( -8.745 0.000 -5.651) 10.412 7.301 ( -0.699 0.000 0.315) 0.767 7.982 ( 2.119 0.000 1.244) 2.457 7.996 ( 3.636 0.000 -1.120) 3.805 8.298 ( 5.166 0.000 11.706) 12.795 8.524 ( 2.422 0.000 -0.023) 2.422 8.764 ( -2.334 0.000 -3.340) 4.074 9.401 ( 5.854 0.000 10.072) 11.650 9.431 ( 3.770 0.000 -4.790) 6.096 10.038 ( 3.869 0.000 31.537) 31.773 10.437 ( -2.250 0.000 -8.588) 8.878 10.598 ( -6.193 0.000 1.906) 6.479 10.729 ( -4.874 0.000 0.965) 4.969 10.866 ( -0.440 0.000 -1.883) 1.934 11.549 ( -1.620 0.000 0.842) 1.826 11.627 ( -1.411 0.000 0.845) 1.644 11.859 ( 5.510 0.000 -0.883) 5.581 12.273 ( 0.368 0.000 -4.259) 4.275 12.439 ( -5.976 0.000 4.575) 7.526 12.852 ( -1.483 0.000 -0.494) 1.564 12.988 ( 5.546 0.000 3.807) 6.727 13.136 ( -0.064 0.000 -8.817) 8.818 13.668 ( 14.161 0.000 3.299) 14.541 13.832 ( -2.308 0.000 -1.732) 2.885 14.001 ( -10.441 0.000 4.602) 11.410 14.659 ( -5.612 0.000 -3.027) 6.377 15.078 ( -4.046 0.000 -4.664) 6.174 15.140 ( 13.437 0.000 -7.754) 15.514 15.575 ( 11.577 0.000 10.096) 15.361 16.318 ( -7.212 0.000 -2.968) 7.799 16.535 ( -4.231 0.000 -11.283) 12.050 16.827 ( 4.666 0.000 -8.977) 10.117 17.033 ( 7.241 0.000 6.763) 9.908 17.104 ( -6.450 0.000 1.372) 6.595 17.146 ( -4.443 0.000 -6.305) 7.713 18.015 ( -2.082 0.000 1.222) 2.415 18.184 ( -1.639 0.000 15.709) 15.794 18.290 ( 0.764 0.000 -3.437) 3.521 18.500 ( 1.290 0.000 -0.316) 1.329 18.925 ( 0.511 0.000 -0.962) 1.089 ======================= Grid point 68 (26/100) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -13.240 0.000 21.275) 25.058 0.764 ( -26.151 0.000 10.069) 28.023 1.191 ( -26.736 0.000 31.444) 41.274 2.069 ( -11.015 0.000 -0.865) 11.049 2.188 ( 1.906 0.000 14.239) 14.366 2.713 ( 5.718 0.000 -5.709) 8.081 2.832 ( 1.484 0.000 -11.461) 11.557 2.917 ( 6.487 0.000 2.238) 6.863 2.946 ( -0.387 0.000 -6.843) 6.854 3.065 ( 3.121 0.000 7.929) 8.521 3.351 ( -1.915 0.000 10.085) 10.266 3.586 ( -4.460 0.000 1.359) 4.662 3.650 ( 11.073 0.000 -3.203) 11.527 3.813 ( -1.495 0.000 1.868) 2.393 3.859 ( -0.051 0.000 2.212) 2.213 3.975 ( -2.353 0.000 -3.159) 3.939 4.111 ( -1.658 0.000 -1.258) 2.081 4.125 ( -2.757 0.000 -10.716) 11.065 4.278 ( 0.545 0.000 -8.569) 8.586 4.389 ( 1.528 0.000 3.743) 4.043 4.494 ( -1.418 0.000 -0.483) 1.498 4.635 ( -0.217 0.000 2.293) 2.303 4.706 ( -7.507 0.000 -2.742) 7.992 4.883 ( -1.559 0.000 -2.623) 3.051 4.912 ( 4.013 0.000 2.953) 4.983 5.410 ( 5.286 0.000 -5.864) 7.895 5.426 ( 1.415 0.000 0.060) 1.416 5.980 ( -5.903 0.000 9.757) 11.403 6.199 ( 2.333 0.000 -9.795) 10.069 6.670 ( -0.452 0.000 -1.779) 1.835 6.871 ( 4.710 0.000 5.180) 7.001 7.093 ( -7.736 0.000 -2.626) 8.170 7.164 ( 3.908 0.000 -1.956) 4.370 7.299 ( 0.338 0.000 -0.594) 0.683 8.024 ( 1.088 0.000 1.941) 2.225 8.060 ( 2.311 0.000 -1.871) 2.974 8.415 ( 1.662 0.000 7.239) 7.427 8.597 ( 3.992 0.000 2.134) 4.526 8.728 ( -0.164 0.000 -2.265) 2.271 9.483 ( 2.427 0.000 -7.250) 7.645 9.586 ( 7.795 0.000 8.765) 11.730 10.319 ( -5.548 0.000 -3.519) 6.570 10.380 ( 24.108 0.000 39.064) 45.905 10.515 ( -1.262 0.000 2.935) 3.195 10.665 ( -2.209 0.000 1.664) 2.766 10.852 ( -0.152 0.000 -1.961) 1.967 11.514 ( -1.315 0.000 2.463) 2.792 11.603 ( -0.945 0.000 0.400) 1.027 11.968 ( 5.116 0.000 -1.999) 5.493 12.263 ( -0.021 0.000 -4.565) 4.565 12.281 ( -8.124 0.000 0.764) 8.160 12.869 ( 1.705 0.000 1.848) 2.515 12.952 ( -20.340 0.000 -29.043) 35.457 13.121 ( 4.180 0.000 1.319) 4.383 13.780 ( -0.498 0.000 -3.186) 3.225 13.950 ( 9.782 0.000 2.157) 10.016 13.974 ( 7.297 0.000 19.253) 20.589 14.556 ( -2.770 0.000 -1.924) 3.373 14.981 ( -3.232 0.000 -3.184) 4.537 15.078 ( -20.001 0.000 -27.960) 34.377 15.834 ( 7.176 0.000 9.276) 11.728 16.216 ( 0.473 0.000 -2.787) 2.827 16.420 ( -2.111 0.000 -2.991) 3.660 16.927 ( -9.532 0.000 1.461) 9.643 16.948 ( 3.990 0.000 -10.682) 11.403 17.168 ( 14.747 0.000 7.989) 16.772 17.172 ( 3.551 0.000 5.015) 6.145 17.941 ( -5.094 0.000 -9.108) 10.436 18.156 ( -3.345 0.000 6.082) 6.941 18.358 ( 4.852 0.000 12.204) 13.133 18.526 ( 1.082 0.000 -0.877) 1.393 18.931 ( 0.193 0.000 -0.624) 0.653 ======================= Grid point 69 (27/100) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 5.302 18.997 13.337) 23.810 0.826 ( -0.426 16.848 20.527) 26.559 1.492 ( 3.706 34.655 33.346) 48.235 1.905 ( -5.568 4.915 -7.648) 10.661 2.220 ( -3.490 3.471 10.496) 11.592 2.745 ( 1.551 -4.710 -13.414) 14.301 2.826 ( -0.362 -7.008 -3.966) 8.061 2.866 ( 3.478 -1.661 -6.539) 7.590 3.048 ( -2.523 -2.235 3.552) 4.896 3.181 ( -0.222 5.311 1.407) 5.499 3.366 ( 3.651 0.632 3.555) 5.135 3.505 ( -4.502 -0.304 -0.346) 4.525 3.605 ( -3.639 -4.379 -1.261) 5.832 3.706 ( 2.439 -13.844 -2.555) 14.288 3.835 ( -1.289 -1.344 4.073) 4.478 3.912 ( -3.880 -6.921 -3.485) 8.666 3.959 ( 1.970 -5.234 -7.117) 9.051 4.130 ( -4.203 8.561 -5.724) 11.123 4.332 ( 0.936 2.970 -6.238) 6.972 4.379 ( 0.673 -3.332 5.204) 6.216 4.581 ( 2.338 3.963 3.183) 5.594 4.630 ( 5.396 6.326 2.989) 8.836 4.814 ( 1.514 -2.304 2.877) 3.985 4.842 ( 1.369 7.884 -1.610) 8.162 4.989 ( 2.013 -0.739 3.806) 4.369 5.407 ( 2.085 -1.460 -5.022) 5.630 5.544 ( -0.625 5.086 1.956) 5.485 5.933 ( -0.731 -2.650 9.155) 9.559 6.271 ( 3.561 -1.083 -8.023) 8.844 6.546 ( 1.145 -8.886 -2.634) 9.339 6.965 ( -2.276 8.785 -0.828) 9.113 7.190 ( 2.768 6.683 1.810) 7.457 7.280 ( 0.437 7.227 -0.950) 7.302 7.498 ( 6.140 11.233 -8.405) 15.314 8.050 ( -1.041 1.410 -1.678) 2.426 8.086 ( -0.164 1.708 -0.736) 1.867 8.440 ( -4.619 3.808 6.255) 8.658 8.621 ( -0.452 -0.675 2.478) 2.608 8.734 ( 0.294 0.014 -0.053) 0.299 9.397 ( -0.597 -10.843 -1.179) 10.923 9.673 ( -3.236 -2.186 7.394) 8.362 10.047 ( -12.129 -13.410 29.228) 34.368 10.267 ( 0.292 -2.109 -1.788) 2.780 10.516 ( 3.215 -2.751 6.118) 7.438 10.900 ( 0.329 4.476 -1.409) 4.704 11.216 ( -2.682 6.518 -10.250) 12.439 11.500 ( -13.323 1.418 2.637) 13.655 11.621 ( 7.595 -2.540 5.871) 9.930 11.664 ( 1.450 4.510 2.001) 5.142 12.159 ( 0.281 1.789 -2.256) 2.893 12.242 ( 1.978 -2.447 -3.281) 4.546 12.364 ( -8.753 6.618 -8.503) 13.882 13.052 ( 0.967 4.840 -7.495) 8.974 13.319 ( -6.930 13.567 -11.505) 19.091 13.817 ( 3.531 0.114 2.633) 4.406 14.033 ( 0.343 0.328 -0.620) 0.781 14.143 ( -10.466 4.891 2.322) 11.783 14.556 ( 3.050 -0.188 0.679) 3.130 14.750 ( 10.046 -5.111 4.738) 12.227 15.057 ( 1.216 4.814 -2.257) 5.454 15.942 ( -4.788 6.831 -5.686) 10.095 16.330 ( 6.946 -0.403 4.746) 8.422 16.435 ( 1.871 1.475 -0.306) 2.403 16.809 ( -3.820 3.330 -5.992) 7.848 16.950 ( 0.346 1.293 -13.739) 13.804 17.193 ( 0.473 -1.896 3.948) 4.405 17.635 ( -10.705 -5.494 -13.855) 18.351 17.650 ( 17.040 -4.050 -0.527) 17.522 18.121 ( -0.690 -0.794 6.683) 6.765 18.370 ( -2.677 -5.099 16.251) 17.241 18.557 ( 1.524 0.744 0.042) 1.697 18.962 ( -0.780 0.157 -4.110) 4.187 ======================= Grid point 70 (28/100) ======================= q-point: ( 0.17 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.735 7.893 21.007) 24.876 1.111 ( 19.430 11.670 16.873) 28.256 1.759 ( 9.864 13.761 8.839) 19.100 1.949 ( 13.249 17.131 6.518) 22.616 2.146 ( -5.353 4.473 9.903) 12.113 2.721 ( -1.581 -5.988 -11.971) 13.478 2.770 ( -3.070 -6.611 -2.533) 7.717 2.842 ( -4.252 -2.096 -5.815) 7.503 3.015 ( 1.574 -1.735 -1.618) 2.847 3.152 ( -2.850 1.022 8.608) 9.124 3.310 ( -5.006 0.709 6.576) 8.295 3.457 ( -1.915 -1.232 -3.774) 4.408 3.573 ( -1.278 0.558 -4.147) 4.375 3.732 ( -1.547 -5.982 2.433) 6.641 3.794 ( -3.119 -1.196 -3.411) 4.774 3.843 ( 0.531 -2.531 -1.200) 2.851 4.018 ( 5.077 -10.185 -5.264) 12.539 4.084 ( 0.300 2.209 -4.158) 4.718 4.312 ( -0.642 -1.321 2.895) 3.246 4.425 ( 2.959 5.955 -2.450) 7.086 4.635 ( 0.795 1.660 3.678) 4.112 4.711 ( -0.030 2.626 -0.774) 2.738 4.808 ( 0.136 2.548 -5.172) 5.768 4.919 ( 1.144 0.108 -0.921) 1.473 5.021 ( 1.810 3.746 8.198) 9.193 5.441 ( 1.301 1.924 -5.810) 6.257 5.496 ( -3.086 3.876 -0.512) 4.981 5.990 ( 3.179 -7.166 8.409) 11.497 6.304 ( 1.449 -2.136 -5.135) 5.747 6.552 ( -0.525 -6.778 -3.894) 7.834 6.923 ( -1.795 8.188 -1.958) 8.608 7.234 ( 0.856 4.222 0.043) 4.308 7.291 ( 0.895 7.746 -1.566) 7.953 7.548 ( 0.281 9.322 -7.315) 11.852 7.996 ( -3.084 0.052 -1.805) 3.574 8.057 ( -2.551 0.861 -0.190) 2.699 8.332 ( -6.152 4.655 8.130) 11.207 8.590 ( -2.074 4.520 -0.245) 4.980 8.751 ( 1.643 -2.532 0.352) 3.039 9.309 ( -8.560 -11.889 9.558) 17.493 9.535 ( -6.771 2.251 5.656) 9.106 9.917 ( -4.667 1.820 19.820) 20.443 10.314 ( 4.208 -2.549 -3.810) 6.223 10.641 ( 6.563 -1.302 8.255) 10.626 10.857 ( -7.250 11.062 -0.970) 13.261 10.929 ( -2.543 9.582 -2.349) 10.188 11.441 ( 2.084 -0.822 0.778) 2.371 11.652 ( -0.267 3.514 2.068) 4.086 11.895 ( 3.883 -4.426 -0.603) 5.918 12.207 ( 0.783 2.458 -6.387) 6.888 12.268 ( 3.234 -0.209 -1.304) 3.493 12.392 ( 12.791 -0.175 -6.449) 14.326 13.054 ( 0.703 9.315 -6.887) 11.605 13.172 ( -4.146 5.578 -2.004) 7.233 13.862 ( -11.134 3.262 0.645) 11.620 13.910 ( 1.193 1.148 2.664) 3.137 14.079 ( 4.381 1.770 8.165) 9.433 14.622 ( 2.580 -2.865 2.802) 4.766 14.885 ( -0.634 -9.677 -5.410) 11.105 15.124 ( 3.494 1.847 -4.148) 5.729 15.752 ( -11.047 7.301 -3.157) 13.612 16.448 ( 4.486 2.412 2.300) 5.589 16.499 ( 2.645 2.522 0.740) 3.729 16.785 ( 1.609 -0.140 -4.012) 4.325 16.914 ( -0.240 0.939 -14.348) 14.380 17.178 ( -1.717 -1.429 3.154) 3.865 17.388 ( -5.485 -1.392 -7.516) 9.408 17.915 ( 6.788 -5.155 -0.642) 8.548 18.142 ( 1.010 -2.971 3.235) 4.507 18.316 ( -5.601 -3.714 16.216) 17.553 18.569 ( -0.209 2.422 -1.568) 2.893 18.919 ( -1.354 -0.905 -2.227) 2.759 ======================= Grid point 71 (29/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 13.247 4.709 17.815) 22.694 1.482 ( 9.561 13.035 14.228) 21.535 1.876 ( 2.032 2.253 -1.196) 3.261 1.961 ( -9.604 5.551 8.071) 13.718 2.470 ( 17.710 4.760 7.353) 19.758 2.653 ( 5.349 1.970 5.449) 7.886 2.731 ( -0.155 -5.669 -5.671) 8.020 2.765 ( -1.300 -2.138 -8.168) 8.543 3.037 ( -2.247 -2.170 -0.045) 3.124 3.134 ( 1.505 -5.791 -0.187) 5.986 3.253 ( -3.643 2.581 4.636) 6.436 3.384 ( -4.674 0.864 1.708) 5.051 3.451 ( -6.505 4.378 -8.282) 11.405 3.662 ( -1.282 -3.668 2.012) 4.376 3.789 ( -2.003 -1.674 4.377) 5.097 3.901 ( 7.036 3.778 -7.986) 11.294 4.019 ( -2.776 -10.285 5.440) 11.962 4.133 ( 3.435 -3.020 -7.344) 8.652 4.341 ( 2.484 1.242 0.696) 2.863 4.482 ( 0.534 5.291 0.521) 5.344 4.606 ( -3.409 1.474 3.539) 5.130 4.669 ( -3.220 4.127 2.947) 6.007 4.813 ( 2.192 5.666 -9.412) 11.202 4.876 ( -1.321 -4.218 -1.306) 4.609 5.114 ( 2.434 4.885 3.326) 6.391 5.362 ( -4.867 2.463 -2.123) 5.853 5.502 ( 2.391 4.913 -4.874) 7.322 6.078 ( 2.025 -7.319 7.938) 10.985 6.320 ( 1.718 -4.776 -5.015) 7.135 6.488 ( -3.828 -2.500 -3.911) 6.017 6.875 ( -1.963 8.223 -1.037) 8.517 7.196 ( -3.724 11.467 -1.168) 12.113 7.329 ( 3.061 3.906 -1.831) 5.290 7.526 ( -0.429 5.403 -1.986) 5.773 7.935 ( -1.831 -0.950 -1.278) 2.426 7.975 ( -4.400 -1.571 -0.869) 4.752 8.253 ( -3.290 5.332 8.356) 10.444 8.557 ( -0.694 6.476 -1.181) 6.620 8.792 ( 1.534 -3.109 -0.708) 3.539 9.185 ( -4.673 -8.025 11.370) 14.681 9.468 ( -1.118 4.842 -0.442) 4.989 9.913 ( -1.322 3.430 18.249) 18.616 10.388 ( 3.359 -4.518 -5.968) 8.205 10.767 ( -1.426 9.600 -0.281) 9.709 10.805 ( 5.109 -1.810 5.528) 7.742 10.917 ( 0.496 4.582 -1.843) 4.964 11.498 ( 2.553 -2.093 0.278) 3.314 11.664 ( 1.085 2.473 2.893) 3.957 11.851 ( -4.862 1.641 -3.233) 6.065 12.212 ( 1.452 -2.025 -6.108) 6.596 12.376 ( 5.583 0.523 3.259) 6.486 12.635 ( 9.335 -3.244 -1.692) 10.026 13.039 ( -0.463 7.984 -2.766) 8.462 13.156 ( 3.058 4.308 -2.750) 5.956 13.605 ( -11.298 4.765 -0.357) 12.267 13.929 ( -0.183 3.592 2.407) 4.328 14.287 ( 9.829 -3.422 12.644) 16.376 14.607 ( -7.109 -10.665 -6.671) 14.449 14.775 ( -2.005 -2.914 -5.294) 6.367 15.182 ( 2.540 1.272 -1.442) 3.185 15.523 ( -8.677 10.088 1.593) 13.401 16.543 ( 3.050 3.930 5.066) 7.100 16.566 ( 3.788 -0.013 -5.983) 7.082 16.769 ( -1.525 -1.078 -4.114) 4.518 16.861 ( -0.593 0.165 -15.220) 15.232 17.171 ( -0.085 -2.301 3.118) 3.876 17.330 ( -0.160 0.236 -5.390) 5.398 17.997 ( 1.679 -3.043 2.330) 4.184 18.167 ( 0.274 -3.350 3.669) 4.976 18.248 ( -4.346 -3.145 13.154) 14.206 18.554 ( -0.436 3.920 -2.516) 4.678 18.901 ( -0.045 -1.631 -1.462) 2.191 ======================= Grid point 72 (30/100) ======================= q-point: (-0.50 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -8.674 12.539 1.954) 15.372 1.552 ( -5.233 8.356 16.583) 19.293 1.774 ( 0.462 0.023 11.047) 11.057 2.026 ( 8.087 4.874 10.333) 13.997 2.518 ( -7.324 0.735 -6.411) 9.761 2.679 ( 0.136 1.143 -5.095) 5.224 2.783 ( 3.803 -5.954 0.548) 7.086 2.921 ( -4.436 -2.360 0.181) 5.028 2.973 ( -1.402 -0.823 1.843) 2.457 3.171 ( -2.850 -2.228 -5.173) 6.313 3.182 ( 5.174 6.306 3.281) 8.792 3.240 ( -1.560 -1.489 -4.664) 5.138 3.426 ( 3.604 0.192 4.185) 5.526 3.714 ( 2.960 -3.703 4.536) 6.561 3.777 ( 1.670 -1.166 4.747) 5.166 3.967 ( -3.389 -10.002 3.953) 11.276 4.050 ( 7.822 3.709 -6.257) 10.682 4.184 ( 3.116 0.089 -5.341) 6.184 4.363 ( -1.628 3.920 -1.757) 4.594 4.427 ( -2.896 2.683 2.252) 4.545 4.532 ( -3.379 1.834 3.838) 5.433 4.644 ( -0.841 5.390 3.477) 6.469 4.853 ( 3.660 0.713 -3.438) 5.072 4.885 ( 1.132 -1.291 -5.567) 5.826 5.092 ( -4.167 6.395 -1.841) 7.852 5.296 ( -0.624 0.267 -2.328) 2.425 5.514 ( -0.268 6.293 -4.823) 7.933 6.092 ( -2.354 -6.169 6.502) 9.267 6.316 ( -2.055 -4.268 -8.908) 10.089 6.442 ( 1.902 -3.159 -0.646) 3.744 6.864 ( 1.487 9.847 1.048) 10.013 7.141 ( -0.112 12.373 -0.937) 12.409 7.375 ( 1.136 5.168 -1.353) 5.462 7.475 ( -5.040 3.154 -2.427) 6.422 7.913 ( 0.740 -3.248 -1.036) 3.489 7.936 ( 1.534 -0.551 -1.061) 1.945 8.250 ( 0.808 5.319 10.192) 11.525 8.551 ( 0.172 5.962 0.261) 5.971 8.789 ( -1.493 -3.085 -2.103) 4.021 9.180 ( 1.226 -7.460 8.678) 11.509 9.477 ( 2.154 6.118 -1.248) 6.605 9.953 ( -0.122 2.528 21.245) 21.395 10.415 ( 1.029 -5.263 -7.049) 8.857 10.739 ( -2.530 5.603 -1.110) 6.247 10.825 ( -2.485 -0.705 0.752) 2.690 10.936 ( 0.264 4.522 -0.867) 4.612 11.533 ( 0.370 -2.434 0.477) 2.507 11.703 ( -0.213 3.214 3.780) 4.967 11.767 ( 0.593 0.803 -3.541) 3.679 12.225 ( 1.100 -3.011 -4.959) 5.905 12.486 ( 2.390 1.765 6.496) 7.143 12.757 ( 1.902 -5.661 2.229) 6.375 13.040 ( 1.849 7.453 -1.204) 7.773 13.214 ( 0.895 6.750 -4.804) 8.333 13.488 ( 3.187 4.765 1.789) 6.005 13.918 ( -1.119 4.016 -0.526) 4.202 14.226 ( -14.620 -5.489 1.005) 15.649 14.634 ( 6.221 -11.100 1.054) 12.768 14.769 ( 4.153 -3.045 -4.157) 6.618 15.220 ( 1.232 1.662 -0.636) 2.164 15.452 ( 2.004 10.642 5.799) 12.284 16.511 ( -6.187 2.483 -2.384) 7.080 16.590 ( 0.566 -0.536 -8.776) 8.811 16.796 ( 1.019 -1.503 -10.314) 10.473 16.857 ( 7.278 0.922 -1.265) 7.445 17.154 ( -2.603 -2.416 1.372) 3.807 17.297 ( -2.220 2.161 -4.900) 5.797 18.015 ( -0.379 -3.186 1.120) 3.398 18.180 ( -1.267 0.073 14.010) 14.067 18.212 ( -1.101 -5.272 3.083) 6.206 18.542 ( -0.010 3.900 -2.631) 4.704 18.904 ( 0.613 -1.454 -1.177) 1.969 ======================= Grid point 73 (31/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -15.744 14.056 4.292) 21.537 1.302 ( -16.843 12.781 15.226) 26.055 1.892 ( -9.461 3.757 7.933) 12.906 2.095 ( -2.096 6.227 9.765) 11.769 2.306 ( -3.399 9.929 8.145) 13.285 2.735 ( 3.702 -0.113 -5.598) 6.712 2.777 ( -6.630 1.263 -2.432) 7.174 2.851 ( -1.376 -0.171 -8.530) 8.642 2.908 ( 5.933 -4.840 3.660) 8.487 3.032 ( -3.863 1.477 -2.177) 4.673 3.311 ( 5.873 -10.915 -4.816) 13.298 3.332 ( 3.616 0.501 2.309) 4.320 3.570 ( 7.026 -0.870 3.670) 7.974 3.742 ( -0.060 -8.530 4.759) 9.768 3.807 ( -3.890 -3.635 2.810) 6.021 3.964 ( 2.419 -7.218 4.134) 8.663 4.107 ( -4.193 -1.505 -1.815) 4.811 4.213 ( 3.854 6.001 -8.057) 10.760 4.333 ( 0.259 7.264 -6.732) 9.907 4.433 ( 2.913 2.766 4.533) 6.057 4.518 ( -0.370 1.910 5.321) 5.665 4.638 ( -0.769 1.142 -1.283) 1.882 4.838 ( -3.162 0.339 -4.434) 5.457 4.901 ( -0.036 0.573 0.835) 1.013 4.981 ( -4.696 4.560 -2.786) 7.114 5.312 ( 3.433 2.173 -6.420) 7.598 5.498 ( 0.258 6.305 -0.497) 6.330 6.039 ( -4.041 -4.732 6.127) 8.733 6.235 ( -1.609 0.057 -10.446) 10.569 6.501 ( 2.514 -8.031 -0.645) 8.440 6.939 ( 4.258 11.326 2.843) 12.429 7.188 ( 4.034 10.647 -1.532) 11.488 7.308 ( -8.028 1.452 -4.613) 9.372 7.378 ( -0.426 7.314 -0.493) 7.343 7.972 ( 3.893 -1.154 -0.193) 4.065 7.995 ( 3.744 -0.195 -1.164) 3.926 8.343 ( 4.613 4.416 11.371) 13.041 8.565 ( 1.003 4.252 0.431) 4.390 8.741 ( -1.727 -1.880 -1.616) 3.021 9.263 ( 4.063 -8.009 6.710) 11.210 9.543 ( 4.036 5.755 -0.813) 7.076 10.025 ( 0.673 -0.616 25.840) 25.857 10.398 ( -0.732 -4.225 -7.550) 8.683 10.595 ( -9.312 -1.595 0.644) 9.469 10.808 ( 1.289 8.387 1.411) 8.602 10.920 ( -0.764 4.776 -2.065) 5.259 11.516 ( -1.883 -2.504 0.969) 3.279 11.686 ( -0.973 4.760 1.492) 5.082 11.824 ( 3.010 -3.042 -1.757) 4.626 12.230 ( 0.609 -3.572 -4.286) 5.612 12.466 ( -5.930 2.472 5.140) 8.227 12.741 ( -3.053 -5.548 2.629) 6.856 13.095 ( 1.110 5.073 -2.766) 5.884 13.259 ( 8.179 11.492 -3.708) 14.585 13.678 ( 9.904 1.355 2.498) 10.304 13.867 ( -2.971 -0.368 -7.354) 7.940 13.990 ( -5.530 2.966 9.122) 11.072 14.580 ( -5.218 -7.984 -1.324) 9.629 14.931 ( 3.876 -8.099 -3.678) 9.703 15.239 ( 1.558 3.195 -2.739) 4.487 15.630 ( 11.560 6.116 7.066) 14.865 16.367 ( -5.114 4.019 -6.689) 9.330 16.526 ( -4.230 -0.735 -9.583) 10.500 16.806 ( 4.404 -2.026 -7.758) 9.148 17.035 ( 5.292 -0.170 0.860) 5.364 17.077 ( -3.019 0.081 2.875) 4.170 17.210 ( -3.681 3.583 -5.673) 7.653 17.988 ( -2.201 -3.586 -2.088) 4.697 18.175 ( -2.432 -1.715 9.821) 10.261 18.235 ( 1.727 -2.249 8.546) 9.005 18.538 ( 0.219 2.574 -2.407) 3.530 18.919 ( 1.185 -0.821 -0.966) 1.736 ======================= Grid point 74 (32/100) ======================= q-point: (-0.17 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -15.601 14.905 10.263) 23.893 0.959 ( -17.217 17.628 9.818) 26.525 1.519 ( -15.521 29.407 24.533) 41.323 2.131 ( -10.711 4.573 -0.070) 11.647 2.216 ( 0.211 3.066 12.767) 13.132 2.731 ( 2.658 1.020 -8.887) 9.332 2.807 ( 2.942 -5.695 -3.065) 7.105 2.821 ( 1.156 -1.091 -9.073) 9.211 3.012 ( 4.167 0.920 -0.162) 4.270 3.088 ( 6.858 0.727 2.461) 7.322 3.325 ( -2.350 -2.839 10.317) 10.955 3.484 ( 7.818 -10.417 -8.526) 15.567 3.664 ( 0.394 0.399 1.812) 1.897 3.708 ( -3.560 -9.216 0.577) 9.897 3.797 ( 4.198 -2.884 3.634) 6.257 3.963 ( -2.534 -2.626 -0.649) 3.707 4.003 ( -3.833 -7.992 -0.124) 8.865 4.231 ( -1.230 5.663 -8.653) 10.414 4.300 ( -1.670 7.771 -6.302) 10.144 4.478 ( -3.078 -4.455 2.041) 5.787 4.530 ( -0.490 6.261 3.299) 7.094 4.580 ( 1.061 4.434 -2.017) 4.986 4.790 ( -2.420 2.292 2.307) 4.054 4.877 ( -1.803 2.823 -4.584) 5.677 4.926 ( 1.531 0.663 3.612) 3.979 5.374 ( 3.047 -0.624 -5.754) 6.541 5.522 ( 1.422 5.963 2.150) 6.496 5.967 ( -4.112 -1.553 7.908) 9.048 6.219 ( 2.820 0.103 -10.188) 10.572 6.533 ( 0.882 -9.520 -1.343) 9.655 7.010 ( 0.024 9.678 2.854) 10.090 7.159 ( -2.496 6.284 -1.295) 6.884 7.265 ( 2.099 8.910 -2.323) 9.444 7.398 ( 3.607 8.430 -3.365) 9.767 8.040 ( 2.164 1.054 -0.457) 2.450 8.063 ( 2.594 0.593 -1.461) 3.035 8.455 ( 1.719 3.643 8.447) 9.358 8.595 ( 1.602 0.375 1.881) 2.499 8.725 ( 0.355 0.327 -0.600) 0.770 9.363 ( 3.397 -9.678 2.452) 10.546 9.633 ( 3.792 3.171 2.837) 5.699 10.109 ( -1.471 -10.492 29.801) 31.629 10.321 ( -4.216 -1.300 -4.952) 6.632 10.475 ( -1.347 -3.791 3.901) 5.603 10.900 ( 0.278 4.810 -1.036) 4.929 10.941 ( 12.275 14.633 0.796) 19.116 11.478 ( -1.330 -2.682 2.050) 3.628 11.667 ( -1.068 5.368 0.891) 5.545 11.842 ( -2.535 -7.789 -0.788) 8.229 12.229 ( 0.498 -3.188 -3.896) 5.059 12.301 ( -9.486 2.034 -0.223) 9.705 12.626 ( -9.908 -6.905 0.414) 12.084 13.071 ( -0.767 2.415 -7.594) 8.005 13.428 ( 3.779 15.720 -14.264) 21.560 13.766 ( 1.573 0.297 -1.679) 2.320 13.900 ( 7.481 -2.436 9.138) 12.058 14.084 ( 9.221 8.010 7.956) 14.577 14.493 ( -1.750 -5.828 0.793) 6.137 14.854 ( -8.974 -5.634 -6.815) 12.598 15.167 ( -8.158 3.344 -7.168) 11.363 15.905 ( 10.268 5.065 3.832) 12.073 16.251 ( -2.810 2.260 -8.984) 9.680 16.437 ( -1.067 1.686 -2.848) 3.478 16.929 ( -0.377 -1.554 -3.015) 3.413 16.963 ( 0.558 1.905 -9.092) 9.306 17.106 ( 3.239 -0.838 3.876) 5.120 17.263 ( 10.112 3.622 2.396) 11.005 17.891 ( -6.440 -4.917 -9.357) 12.377 18.140 ( -2.644 -1.222 6.843) 7.437 18.317 ( 2.337 -2.206 15.407) 15.739 18.537 ( 0.355 0.977 -1.486) 1.814 18.949 ( 1.889 0.267 -1.907) 2.697 ======================= Grid point 75 (33/100) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.649 22.650 6.471) 23.614 1.236 ( -2.235 23.101 7.586) 24.417 1.983 ( -4.960 7.643 -4.552) 10.185 2.155 ( 4.150 17.181 13.709) 22.368 2.330 ( -2.437 9.234 10.193) 13.968 2.658 ( -1.198 -2.650 -12.169) 12.511 2.749 ( -2.680 -0.072 -2.127) 3.422 2.803 ( 1.188 0.575 -3.685) 3.914 2.960 ( -0.137 -5.702 3.028) 6.457 3.195 ( -3.561 -4.832 6.587) 8.912 3.333 ( 0.546 -7.202 -3.285) 7.934 3.405 ( 1.981 -5.969 -1.263) 6.414 3.414 ( 8.459 -13.732 -2.691) 16.351 3.590 ( 1.766 2.155 0.915) 2.933 3.707 ( -4.338 -8.208 2.509) 9.617 3.781 ( -4.357 -9.112 2.351) 10.371 3.934 ( 0.073 3.690 -2.132) 4.262 4.213 ( -4.919 -1.749 -2.952) 5.997 4.354 ( -0.240 4.786 -2.849) 5.575 4.483 ( 2.228 7.969 -0.394) 8.284 4.655 ( -0.205 3.860 -0.127) 3.867 4.766 ( 2.001 3.482 -1.098) 4.164 4.799 ( 1.290 4.295 3.399) 5.627 4.946 ( 1.164 2.103 -2.081) 3.180 5.044 ( 2.540 6.501 7.267) 10.076 5.392 ( 2.859 0.123 -4.796) 5.584 5.616 ( -2.001 1.051 4.175) 4.748 5.899 ( -0.718 -0.683 2.525) 2.712 6.198 ( 1.772 -5.261 -3.148) 6.382 6.329 ( 0.780 -12.839 -1.244) 12.923 7.190 ( -1.471 13.153 -2.591) 13.487 7.341 ( 0.871 7.597 0.652) 7.674 7.473 ( 0.237 10.691 -1.690) 10.826 7.649 ( 4.396 5.037 -3.776) 7.678 8.093 ( -0.131 2.888 -2.270) 3.676 8.124 ( 0.354 1.760 -3.564) 3.990 8.514 ( -3.966 2.839 7.402) 8.865 8.601 ( 0.082 -1.278 4.767) 4.936 8.811 ( -0.490 8.056 1.653) 8.238 9.170 ( -3.026 -9.620 5.709) 11.589 9.674 ( -3.462 1.778 1.614) 4.213 9.990 ( -3.279 1.952 16.491) 16.927 10.209 ( -0.253 -4.435 -2.277) 4.991 10.432 ( 4.223 -5.753 7.325) 10.227 11.011 ( -0.347 6.235 -0.944) 6.315 11.289 ( -1.301 1.350 -6.964) 7.212 11.526 ( 4.577 1.165 3.071) 5.633 11.664 ( -3.338 6.533 3.946) 8.330 11.791 ( 0.042 7.683 1.084) 7.759 12.170 ( -0.124 -2.278 -3.187) 3.920 12.209 ( 2.470 1.559 -1.365) 3.225 12.401 ( -5.934 -0.667 -3.221) 6.785 13.102 ( 1.534 1.502 -1.738) 2.762 13.490 ( -4.339 5.637 -11.773) 13.755 13.832 ( 0.631 0.857 3.373) 3.537 13.996 ( 3.653 -4.583 0.971) 5.941 14.290 ( -7.040 9.008 -0.233) 11.435 14.554 ( 4.582 0.007 2.161) 5.066 14.674 ( 0.662 -2.356 5.459) 5.983 15.107 ( -1.258 0.124 -0.477) 1.351 16.069 ( -4.733 6.377 -7.732) 11.084 16.331 ( 8.044 0.830 3.656) 8.875 16.471 ( 2.945 2.130 -1.125) 3.805 16.855 ( -2.491 0.836 -6.871) 7.356 16.982 ( 0.147 1.846 -14.026) 14.148 17.151 ( 1.532 -1.993 0.749) 2.623 17.489 ( 3.546 -7.106 -7.671) 11.041 17.583 ( -1.667 -4.613 -5.100) 7.076 18.121 ( -1.208 0.964 8.407) 8.548 18.317 ( -2.313 -1.338 13.877) 14.132 18.573 ( 1.452 1.001 -0.150) 1.770 18.921 ( -0.887 -3.723 -3.465) 5.163 ======================= Grid point 76 (34/100) ======================= q-point: ( 0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 6.512 17.453 5.955) 19.557 1.398 ( 14.319 16.637 12.902) 25.462 1.957 ( 2.891 8.554 -7.689) 11.860 2.249 ( -4.914 5.915 9.415) 12.156 2.358 ( 7.628 12.576 9.710) 17.625 2.598 ( -1.550 -5.586 -9.494) 11.124 2.701 ( -0.245 0.717 -4.066) 4.136 2.788 ( -2.264 2.983 -0.737) 3.817 2.951 ( 0.542 -3.050 -1.131) 3.298 3.110 ( -6.782 -6.803 4.712) 10.700 3.247 ( -1.722 -6.659 1.120) 6.969 3.425 ( -1.006 -1.893 3.631) 4.216 3.547 ( 1.526 -7.973 2.847) 8.602 3.669 ( 0.120 -13.237 1.759) 13.354 3.693 ( 0.561 2.853 -5.989) 6.657 3.721 ( 3.684 -5.486 1.412) 6.758 3.937 ( 0.366 5.216 3.240) 6.152 4.123 ( -1.802 0.807 -5.352) 5.704 4.356 ( 1.434 4.319 -2.457) 5.172 4.540 ( 2.531 5.668 0.426) 6.222 4.659 ( 0.040 0.745 0.464) 0.879 4.778 ( 0.419 3.166 -5.132) 6.045 4.826 ( -0.907 1.269 1.303) 2.033 4.959 ( -0.045 3.662 -2.975) 4.719 5.123 ( 3.366 5.292 7.088) 9.464 5.475 ( 5.214 1.820 -3.266) 6.416 5.564 ( -3.493 2.304 1.998) 4.637 5.905 ( 0.521 -2.015 3.044) 3.688 6.220 ( 0.653 -5.371 -1.823) 5.709 6.361 ( 2.574 -11.860 -1.214) 12.197 7.143 ( -2.048 13.132 -3.378) 13.713 7.342 ( -0.139 6.573 -0.057) 6.574 7.485 ( 0.726 9.382 -2.023) 9.625 7.687 ( -0.237 5.408 -1.434) 5.600 8.032 ( -4.256 2.918 -3.827) 6.424 8.075 ( -4.251 1.275 -1.514) 4.689 8.431 ( -4.989 4.678 7.721) 10.315 8.644 ( 2.848 -2.623 2.921) 4.850 8.783 ( -2.189 9.234 1.361) 9.587 9.095 ( -5.058 -8.959 6.632) 12.241 9.595 ( -3.258 3.550 1.359) 5.006 9.982 ( -1.575 3.731 12.814) 13.439 10.230 ( 2.234 -5.603 -2.005) 6.356 10.573 ( 6.580 -5.777 8.041) 11.888 10.984 ( -1.733 5.397 -1.660) 5.906 11.173 ( -6.290 9.312 -4.725) 12.190 11.459 ( -2.637 4.131 3.455) 5.996 11.705 ( -0.460 1.713 1.197) 2.140 11.858 ( 4.222 0.918 0.714) 4.379 12.227 ( 4.590 -1.928 -0.165) 4.981 12.268 ( -2.348 1.582 -4.742) 5.523 12.398 ( 11.403 1.241 -1.769) 11.605 13.160 ( 4.137 3.749 -1.442) 5.766 13.338 ( -6.392 8.678 -10.620) 15.131 13.870 ( 0.764 -1.620 3.960) 4.346 14.030 ( -7.199 6.826 -3.795) 10.621 14.097 ( 0.034 0.960 7.704) 7.764 14.565 ( -3.387 -1.234 5.900) 6.914 14.720 ( -0.516 -6.989 -1.079) 7.090 15.126 ( 1.975 -1.899 -1.154) 2.972 15.919 ( -6.662 9.440 -4.714) 12.479 16.469 ( 5.794 0.339 -1.178) 5.922 16.583 ( 4.107 4.980 1.370) 6.599 16.790 ( -1.397 0.691 -4.862) 5.105 16.938 ( -0.979 1.400 -14.074) 14.177 17.144 ( -1.667 -1.698 0.987) 2.576 17.340 ( -3.777 -3.501 -8.983) 10.354 17.741 ( 7.502 -11.030 -3.934) 13.907 18.125 ( -0.608 1.099 8.292) 8.386 18.283 ( -4.261 -0.722 14.402) 15.036 18.604 ( 1.314 1.410 -1.199) 2.270 18.879 ( -1.567 -3.043 -2.739) 4.384 ======================= Grid point 77 (35/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 10.617 10.335 8.749) 17.207 1.739 ( 10.378 11.995 10.079) 18.793 1.987 ( 1.953 7.922 -4.366) 9.254 2.115 ( -9.886 9.804 10.268) 17.300 2.478 ( 2.621 -2.337 -5.361) 6.409 2.588 ( 2.021 -5.941 -4.115) 7.504 2.706 ( 0.188 -4.197 -6.414) 7.668 2.810 ( 5.894 10.392 10.747) 16.069 2.958 ( -3.797 -5.916 -1.742) 7.242 3.008 ( 1.233 -5.058 -3.836) 6.466 3.287 ( 3.884 -1.113 4.779) 6.258 3.384 ( -4.501 0.046 6.651) 8.031 3.559 ( 0.234 -6.661 4.366) 7.968 3.590 ( -7.389 7.488 -4.535) 11.456 3.666 ( 0.748 -12.849 2.570) 13.125 3.864 ( 4.325 -3.843 2.832) 6.442 3.917 ( -1.563 1.175 2.811) 3.424 4.161 ( 6.156 5.572 -7.590) 11.250 4.399 ( 3.173 3.761 -2.951) 5.738 4.550 ( -4.194 0.920 3.307) 5.419 4.659 ( 1.506 4.204 -0.071) 4.466 4.745 ( -4.563 2.553 2.366) 5.739 4.802 ( 0.798 -2.127 -4.676) 5.198 4.944 ( 1.086 7.468 -6.504) 9.963 5.214 ( 3.460 4.253 1.813) 5.775 5.455 ( -6.318 6.089 0.405) 8.784 5.574 ( 3.715 2.375 -3.088) 5.383 5.939 ( 1.580 -6.266 3.567) 7.381 6.213 ( -0.803 -5.356 -1.872) 5.730 6.410 ( 1.582 -5.337 -0.764) 5.619 7.094 ( -1.366 13.006 -2.638) 13.341 7.367 ( 2.708 5.275 -0.465) 5.948 7.461 ( -2.109 8.498 -3.136) 9.300 7.668 ( -0.809 8.299 0.929) 8.390 7.930 ( -5.996 -0.684 -3.096) 6.783 7.949 ( -4.316 0.358 -0.130) 4.333 8.371 ( -2.478 5.760 7.293) 9.618 8.707 ( 1.803 -2.845 0.272) 3.379 8.742 ( -1.763 9.315 1.619) 9.618 9.025 ( -2.671 -7.209 7.833) 10.975 9.562 ( 0.068 4.486 -0.954) 4.587 9.990 ( -0.959 3.719 12.634) 13.205 10.269 ( 1.661 -6.950 -2.795) 7.673 10.711 ( 3.210 -7.768 4.706) 9.633 10.946 ( -0.852 6.600 -1.568) 6.837 11.070 ( -2.149 10.815 -2.539) 11.315 11.453 ( 0.439 -1.851 1.577) 2.471 11.700 ( 0.438 1.188 1.453) 1.927 11.874 ( -2.234 0.591 -1.561) 2.789 12.207 ( -0.081 0.352 -5.729) 5.740 12.373 ( 6.060 0.391 5.960) 8.509 12.627 ( 8.245 2.331 0.772) 8.603 13.207 ( -2.241 8.968 -7.422) 11.855 13.266 ( 5.931 6.293 -1.123) 8.719 13.732 ( -10.726 6.842 0.330) 12.727 13.981 ( 1.180 1.127 -0.424) 1.686 14.219 ( 7.302 -5.645 7.946) 12.179 14.422 ( -10.888 -4.003 2.660) 11.902 14.682 ( -1.297 -6.015 -2.867) 6.788 15.150 ( 0.497 -3.950 1.398) 4.219 15.794 ( -3.792 15.748 -3.076) 16.488 16.559 ( 2.724 -0.436 -4.630) 5.390 16.648 ( 2.563 6.150 0.221) 6.666 16.747 ( -1.505 -0.955 -3.254) 3.710 16.862 ( -1.868 -0.147 -13.941) 14.066 17.128 ( 0.051 -1.711 0.537) 1.794 17.316 ( 1.802 -1.801 -6.341) 6.833 17.839 ( 3.058 -11.632 -3.728) 12.592 18.140 ( -0.197 0.931 8.480) 8.534 18.230 ( -4.228 -0.084 14.450) 15.056 18.616 ( 0.315 2.445 -2.612) 3.592 18.856 ( -0.020 -2.769 -1.486) 3.142 ======================= Grid point 78 (36/100) ======================= q-point: (-0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.844 6.109 3.792) 7.239 1.730 ( 0.667 11.779 4.510) 12.630 1.897 ( -11.978 12.990 8.920) 19.793 2.163 ( 9.947 8.281 9.312) 15.945 2.525 ( 2.711 -0.515 -2.442) 3.685 2.619 ( -0.225 -4.694 -5.110) 6.942 2.680 ( -0.194 -6.222 0.067) 6.225 2.843 ( -1.863 -3.832 -1.682) 4.580 2.995 ( 4.003 -3.232 -1.396) 5.331 3.030 ( 1.646 -0.559 -3.499) 3.907 3.267 ( -8.187 3.956 2.778) 9.507 3.377 ( -0.682 4.959 0.907) 5.087 3.428 ( -3.451 -0.829 6.030) 6.997 3.550 ( -1.316 -11.061 2.778) 11.480 3.750 ( 4.951 -3.107 5.376) 7.941 3.858 ( -0.536 4.128 3.975) 5.756 3.999 ( 4.343 -7.655 1.185) 8.880 4.272 ( 5.043 6.472 -6.387) 10.398 4.412 ( -3.860 -2.538 -3.548) 5.825 4.473 ( 0.679 5.410 1.471) 5.647 4.611 ( -3.522 5.182 0.220) 6.269 4.736 ( 0.675 2.294 2.829) 3.704 4.812 ( 1.544 -1.802 -1.438) 2.775 4.953 ( 0.183 7.200 -6.766) 9.882 5.242 ( -3.239 7.506 -4.184) 9.184 5.343 ( -0.581 2.836 -0.861) 3.020 5.618 ( 0.957 4.756 -1.342) 5.033 5.961 ( -1.118 -6.472 3.663) 7.521 6.187 ( -0.318 -7.044 -3.416) 7.835 6.413 ( -0.909 -1.150 -0.938) 1.741 7.092 ( 1.934 12.482 -0.623) 12.647 7.391 ( -0.280 11.774 -0.469) 11.787 7.449 ( 0.307 2.619 -3.636) 4.491 7.624 ( -4.079 10.834 0.491) 11.586 7.828 ( 0.841 -5.011 -1.026) 5.184 7.930 ( 1.543 -0.072 -1.072) 1.880 8.373 ( 0.835 6.277 8.276) 10.421 8.698 ( -2.071 1.831 -1.312) 3.060 8.730 ( -0.033 4.037 2.687) 4.850 9.040 ( 1.678 -5.976 8.312) 10.374 9.586 ( 2.472 4.701 -2.552) 5.893 10.011 ( -0.803 2.755 14.675) 14.953 10.281 ( 0.400 -7.762 -3.585) 8.559 10.690 ( -5.515 -8.018 -0.525) 9.745 10.949 ( 1.394 8.537 -0.401) 8.660 11.051 ( -0.021 7.942 -1.979) 8.185 11.465 ( 0.002 -4.248 1.459) 4.492 11.731 ( 1.768 -0.454 0.726) 1.964 11.813 ( -1.897 3.398 -1.318) 4.109 12.199 ( -0.070 0.648 -4.845) 4.889 12.493 ( 2.696 -1.007 9.468) 9.896 12.725 ( 0.775 2.403 2.138) 3.308 13.225 ( 4.483 10.881 -2.658) 12.065 13.347 ( 0.061 6.425 -3.113) 7.140 13.599 ( 1.585 5.885 1.105) 6.194 13.942 ( -4.894 -3.469 -7.432) 9.551 14.206 ( -7.697 4.993 4.689) 10.303 14.392 ( 3.762 -11.988 7.286) 14.524 14.676 ( 3.164 -5.800 -2.212) 6.967 15.182 ( 2.033 -4.342 3.915) 6.190 15.747 ( 0.343 16.985 -1.928) 17.097 16.565 ( -3.834 2.071 -5.955) 7.379 16.574 ( -2.054 -0.621 -8.157) 8.434 16.769 ( -0.537 -1.099 -10.787) 10.856 16.878 ( 8.210 1.484 0.877) 8.389 17.121 ( -1.137 -0.902 -1.051) 1.792 17.321 ( -0.593 0.154 -5.418) 5.452 17.866 ( 0.807 -10.827 -3.716) 11.475 18.162 ( -0.432 0.357 8.119) 8.138 18.195 ( -2.333 0.554 14.907) 15.099 18.606 ( -0.426 2.602 -3.232) 4.171 18.863 ( 0.889 -2.548 -0.901) 2.845 ======================= Grid point 79 (37/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -12.468 14.435 0.024) 19.074 1.627 ( -13.531 18.880 9.066) 24.934 1.978 ( 8.379 3.642 8.569) 12.526 2.293 ( -1.801 11.517 4.961) 12.669 2.455 ( -8.332 2.027 4.599) 9.731 2.647 ( 6.489 -1.754 0.376) 6.733 2.750 ( 4.657 -9.227 0.250) 10.338 2.836 ( 0.407 1.025 -2.380) 2.623 2.950 ( -8.845 9.515 -4.620) 13.788 3.043 ( 3.961 -9.729 -3.812) 11.174 3.137 ( -1.647 4.501 -4.943) 6.885 3.336 ( -1.516 -1.787 8.436) 8.755 3.432 ( 0.399 -13.151 2.152) 13.332 3.558 ( 0.285 -9.079 3.922) 9.894 3.820 ( 0.112 1.503 -0.920) 1.765 3.878 ( 1.461 2.141 3.162) 4.088 4.021 ( -4.963 -5.676 4.138) 8.601 4.303 ( 2.447 1.213 -3.969) 4.818 4.404 ( 1.504 -1.696 -0.381) 2.298 4.502 ( 2.190 7.520 -2.965) 8.375 4.591 ( 0.252 5.919 0.612) 5.956 4.730 ( -0.472 2.994 0.539) 3.079 4.838 ( -0.370 1.112 -1.229) 1.698 4.904 ( -1.943 2.437 -1.710) 3.555 5.113 ( -5.824 7.266 -2.257) 9.582 5.374 ( 2.273 2.829 -8.869) 9.583 5.623 ( -0.428 6.095 4.110) 7.364 5.929 ( -1.665 -5.763 2.159) 6.376 6.183 ( 0.542 -5.880 -4.130) 7.206 6.372 ( -2.443 -4.862 -1.013) 5.535 7.166 ( 4.294 11.123 1.174) 11.980 7.351 ( -5.502 4.667 -0.948) 7.276 7.425 ( 3.103 10.597 -3.269) 11.516 7.568 ( -1.433 11.184 -1.278) 11.348 7.935 ( 7.271 -2.490 -1.204) 7.779 7.989 ( 3.945 -0.252 -1.498) 4.228 8.449 ( 3.561 5.407 9.415) 11.426 8.639 ( -2.915 0.164 0.450) 2.954 8.753 ( 1.441 5.997 2.417) 6.625 9.116 ( 2.806 -6.311 7.355) 10.090 9.643 ( 3.281 4.221 -2.623) 5.955 10.031 ( -1.770 1.122 17.658) 17.782 10.274 ( 0.206 -7.911 -4.312) 9.012 10.520 ( -9.066 -5.946 -0.155) 10.843 11.000 ( 2.548 7.893 0.636) 8.319 11.048 ( 1.923 9.854 -3.095) 10.506 11.452 ( -1.597 -3.980 1.371) 4.503 11.762 ( 0.915 -2.535 -0.733) 2.793 11.800 ( 0.180 6.130 0.982) 6.210 12.173 ( -0.806 -1.241 -4.219) 4.471 12.508 ( -4.013 0.793 6.547) 7.720 12.678 ( -5.508 -0.637 2.881) 6.249 13.199 ( -4.337 5.706 -3.448) 7.953 13.482 ( 12.455 9.523 -2.090) 15.817 13.729 ( 6.288 3.692 0.624) 7.319 13.787 ( -4.682 -4.996 -4.576) 8.235 14.156 ( 1.283 11.188 3.885) 11.912 14.380 ( -3.344 -10.744 3.285) 11.722 14.790 ( 3.990 -6.471 1.208) 7.697 15.231 ( 0.715 -3.537 2.048) 4.149 15.816 ( 6.560 11.911 0.783) 13.620 16.439 ( -4.187 2.659 -11.758) 12.761 16.517 ( -2.559 0.166 -6.213) 6.721 16.755 ( 3.133 -2.934 -7.531) 8.668 17.042 ( 2.304 1.156 -3.969) 4.733 17.100 ( 2.978 1.693 3.595) 4.966 17.258 ( -2.950 1.118 -7.103) 7.772 17.851 ( -1.438 -9.540 -4.595) 10.686 18.150 ( -2.179 0.160 8.899) 9.163 18.230 ( 1.016 0.463 14.071) 14.115 18.582 ( -0.868 2.021 -2.999) 3.719 18.886 ( 1.521 -2.549 -0.909) 3.105 ======================= Grid point 80 (38/100) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -10.910 18.873 4.930) 22.350 1.371 ( -11.174 22.836 4.484) 25.816 2.076 ( -1.462 17.818 13.223) 22.236 2.193 ( -8.621 0.951 -1.585) 8.817 2.326 ( -1.925 9.819 9.344) 13.690 2.726 ( -1.187 -0.432 -8.006) 8.105 2.782 ( -1.453 1.531 -1.753) 2.744 2.812 ( -0.796 4.851 -2.529) 5.528 2.900 ( 4.915 -9.258 2.346) 10.741 3.153 ( 7.582 1.979 0.108) 7.837 3.189 ( 6.507 -9.005 -2.687) 11.430 3.315 ( -1.347 -5.645 2.848) 6.464 3.441 ( -1.077 -14.274 -0.568) 14.326 3.578 ( 0.638 -7.336 3.748) 8.262 3.806 ( -1.501 -4.249 -1.733) 4.828 3.856 ( -5.219 -7.797 1.897) 9.572 3.929 ( -0.717 5.600 2.365) 6.121 4.322 ( -1.841 2.594 -5.345) 6.219 4.372 ( -2.501 -3.561 -0.519) 4.382 4.510 ( -2.757 10.789 -3.861) 11.786 4.617 ( 3.322 5.052 4.783) 7.710 4.742 ( 0.541 3.952 -0.490) 4.019 4.797 ( -1.139 4.993 -2.864) 5.868 4.917 ( 1.623 -1.394 4.121) 4.643 5.013 ( -2.115 8.096 -0.853) 8.411 5.377 ( 0.717 0.766 -7.256) 7.331 5.627 ( -0.646 3.617 5.694) 6.777 5.913 ( -0.723 -3.435 1.159) 3.697 6.181 ( 0.555 -3.495 -3.964) 5.314 6.330 ( -0.817 -11.302 -0.572) 11.346 7.222 ( -0.774 11.767 -0.133) 11.793 7.299 ( 1.967 7.179 -0.079) 7.444 7.480 ( 0.922 11.689 -2.297) 11.948 7.562 ( 3.016 7.523 -3.264) 8.738 8.058 ( 3.685 1.098 -1.435) 4.105 8.076 ( 4.632 0.291 -3.014) 5.534 8.536 ( 0.818 3.910 8.388) 9.291 8.594 ( -1.192 -0.802 3.426) 3.715 8.793 ( 1.432 7.006 1.905) 7.400 9.177 ( 0.744 -7.993 6.223) 10.157 9.694 ( 1.451 2.872 -1.117) 3.407 10.023 ( -3.899 -0.168 19.385) 19.774 10.254 ( -1.711 -5.801 -5.271) 8.022 10.381 ( -2.527 -5.450 5.257) 7.983 11.013 ( 0.093 6.282 -0.788) 6.332 11.191 ( 10.469 10.879 -3.568) 15.515 11.420 ( -0.868 -2.955 2.233) 3.804 11.755 ( -1.915 -1.530 0.314) 2.471 11.800 ( -0.713 8.013 1.678) 8.217 12.158 ( 0.611 -3.051 -3.103) 4.394 12.356 ( -10.365 3.324 -0.560) 10.900 12.543 ( -7.126 -2.815 2.336) 8.010 13.116 ( -2.207 2.098 -3.224) 4.434 13.582 ( -1.347 3.199 -10.754) 11.300 13.817 ( 0.916 2.166 2.734) 3.606 13.862 ( 9.642 -1.360 1.625) 9.872 14.264 ( 6.369 9.537 1.528) 11.570 14.381 ( 4.484 -3.798 6.334) 8.640 14.774 ( -5.385 -3.314 -0.087) 6.324 15.187 ( -4.695 -1.340 -0.218) 4.887 16.017 ( 10.473 6.646 2.471) 12.647 16.288 ( -5.500 1.847 -10.696) 12.168 16.476 ( -0.642 2.028 -4.855) 5.301 16.861 ( 5.402 -4.608 -2.477) 7.520 17.008 ( 0.109 2.395 -11.061) 11.318 17.126 ( -1.706 1.984 -1.689) 3.114 17.297 ( 8.174 -0.094 -1.811) 8.373 17.761 ( -6.052 -7.875 -7.056) 12.183 18.130 ( -1.880 0.509 8.584) 8.802 18.293 ( 0.693 -0.620 14.129) 14.159 18.561 ( -0.247 1.435 -1.533) 2.115 18.918 ( 1.569 -3.182 -1.994) 4.070 ======================= Grid point 81 (39/100) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.456 20.231 4.477) 20.726 1.687 ( -3.183 21.290 -1.212) 21.561 2.095 ( -0.303 4.770 -8.396) 9.661 2.240 ( 2.870 -1.125 6.043) 6.784 2.433 ( -1.698 1.294 1.187) 2.443 2.631 ( -0.765 -4.625 -0.406) 4.705 2.698 ( -6.829 1.087 -2.359) 7.306 2.823 ( 4.262 -5.559 0.877) 7.059 3.012 ( -4.371 -10.832 -1.409) 11.765 3.107 ( 4.289 -5.490 -1.699) 7.171 3.167 ( -3.055 1.370 -1.985) 3.893 3.228 ( 2.555 1.399 4.730) 5.555 3.321 ( 1.202 3.043 9.617) 10.158 3.462 ( -3.509 -9.731 6.885) 12.426 3.578 ( -3.801 -10.491 3.814) 11.792 3.802 ( 6.705 11.773 -3.124) 13.904 4.011 ( 0.767 2.084 -4.799) 5.288 4.147 ( -4.357 -3.135 2.180) 5.793 4.426 ( 0.641 2.187 -4.762) 5.279 4.615 ( 0.197 3.459 -0.170) 3.469 4.729 ( -2.085 4.053 -3.974) 6.047 4.845 ( 0.997 5.422 -0.422) 5.529 4.885 ( -0.534 3.790 1.897) 4.272 5.016 ( 3.195 4.616 3.143) 6.434 5.170 ( 0.795 5.782 2.742) 6.448 5.410 ( 3.395 1.422 -3.927) 5.382 5.571 ( -0.922 -4.838 1.294) 5.092 5.896 ( 0.536 -2.199 -2.685) 3.512 6.044 ( -1.048 -11.639 6.339) 13.294 6.110 ( 1.034 -5.124 0.453) 5.247 7.444 ( -0.576 11.242 -3.797) 11.879 7.477 ( 1.190 6.282 0.429) 6.408 7.640 ( -1.669 5.723 -3.741) 7.038 7.728 ( 2.804 3.133 -1.078) 4.340 8.150 ( 1.346 1.406 -3.184) 3.732 8.162 ( 0.918 3.307 -2.485) 4.237 8.527 ( -2.984 -0.232 8.274) 8.799 8.598 ( -2.388 -0.390 8.059) 8.415 8.988 ( 0.932 7.111 -0.153) 7.173 9.058 ( -2.972 0.073 3.623) 4.686 9.715 ( -2.151 1.928 -1.767) 3.386 10.027 ( -1.513 -0.848 6.130) 6.370 10.105 ( -0.082 -3.792 4.636) 5.990 10.303 ( 3.669 -6.579 8.045) 11.021 11.128 ( -1.111 5.332 -0.840) 5.511 11.288 ( -1.843 -0.878 -3.817) 4.328 11.567 ( 5.828 2.908 2.202) 6.875 11.760 ( 0.411 0.698 2.488) 2.617 11.960 ( -0.933 9.191 -0.199) 9.241 12.175 ( -1.588 3.773 -2.189) 4.643 12.247 ( 1.697 1.725 -2.030) 3.158 12.371 ( -5.638 -2.024 -1.955) 6.301 13.148 ( 2.291 4.317 1.555) 5.128 13.601 ( -2.336 5.763 -7.547) 9.778 13.816 ( 0.166 -6.146 0.800) 6.200 13.865 ( 2.902 -5.082 3.513) 6.826 14.449 ( -4.694 6.057 -0.429) 7.675 14.550 ( 4.694 -0.418 3.048) 5.612 14.681 ( -2.676 3.590 5.810) 7.336 15.064 ( -1.782 -4.286 0.914) 4.731 16.198 ( -4.130 6.511 -7.092) 10.476 16.362 ( 6.302 1.856 1.313) 6.699 16.526 ( 5.264 3.870 -1.640) 6.737 16.836 ( 1.165 -2.705 -3.474) 4.554 17.020 ( 0.040 1.982 -14.150) 14.289 17.123 ( 0.820 -0.859 -5.938) 6.056 17.364 ( 0.984 -5.322 -5.794) 7.929 17.471 ( -3.253 -6.356 -4.991) 8.711 18.156 ( -1.072 2.377 9.239) 9.600 18.292 ( -1.926 -1.468 11.704) 11.952 18.601 ( 1.147 1.937 -0.378) 2.283 18.832 ( -0.539 -5.019 -2.452) 5.612 ======================= Grid point 82 (40/100) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 3.359 17.539 -3.706) 18.238 1.727 ( 6.984 15.579 8.045) 18.873 2.111 ( 3.126 6.941 -8.706) 11.565 2.339 ( 1.917 3.110 8.619) 9.362 2.408 ( 1.342 -0.483 -2.183) 2.607 2.561 ( -4.395 2.573 -2.371) 5.618 2.619 ( -0.959 -6.046 -1.650) 6.340 2.899 ( 2.764 1.154 -1.956) 3.577 2.912 ( -4.937 -10.929 -1.040) 12.038 3.036 ( -3.805 -4.289 -0.793) 5.788 3.172 ( 0.262 7.552 3.720) 8.422 3.344 ( 3.601 -9.993 3.522) 11.191 3.378 ( 0.530 -10.254 9.159) 13.759 3.408 ( -1.147 -3.061 7.182) 7.890 3.525 ( 1.105 -7.412 1.687) 7.681 3.865 ( -0.082 8.412 -4.751) 9.661 4.087 ( -1.780 -3.368 0.157) 3.813 4.128 ( 7.356 9.651 0.650) 12.152 4.428 ( 1.538 3.545 -3.769) 5.398 4.634 ( -0.539 3.048 3.194) 4.448 4.691 ( 0.814 3.453 -4.532) 5.756 4.822 ( -1.550 0.992 -4.461) 4.826 4.864 ( -2.780 2.680 1.354) 4.092 5.066 ( 1.450 6.072 -0.846) 6.299 5.204 ( 1.715 3.147 3.550) 5.044 5.497 ( 4.625 -0.576 -3.000) 5.543 5.591 ( 1.814 1.218 1.578) 2.695 5.870 ( -1.856 -3.403 -2.539) 4.634 6.111 ( 4.371 -7.674 7.193) 11.390 6.133 ( 2.156 -6.830 0.251) 7.166 7.403 ( -1.951 12.243 -3.841) 12.979 7.475 ( -1.049 6.721 -0.661) 6.834 7.615 ( -0.312 3.967 -2.057) 4.480 7.767 ( 0.990 1.998 -0.208) 2.240 8.081 ( -5.728 1.337 -5.519) 8.066 8.125 ( -4.523 3.841 -0.149) 5.936 8.487 ( -3.380 0.882 8.726) 9.399 8.586 ( 0.406 -2.606 5.701) 6.281 8.976 ( -2.032 2.224 -1.721) 3.469 9.004 ( -2.410 6.670 4.702) 8.509 9.661 ( -2.079 2.943 -0.640) 3.660 10.012 ( -0.996 -3.232 3.079) 4.574 10.138 ( 1.140 -1.007 6.893) 7.059 10.427 ( 5.052 -8.243 7.886) 12.476 11.084 ( -2.175 4.564 -2.066) 5.462 11.241 ( -1.300 -0.418 -4.035) 4.260 11.606 ( -3.716 7.574 4.967) 9.790 11.743 ( -1.975 2.151 -0.896) 3.055 11.898 ( -1.672 3.223 -0.928) 3.747 12.209 ( 0.837 -0.663 -0.513) 1.185 12.279 ( 2.749 1.102 -2.437) 3.836 12.437 ( 12.337 1.786 0.147) 12.466 13.250 ( 6.135 6.057 2.053) 8.863 13.499 ( -4.864 7.946 -9.094) 13.019 13.825 ( 0.552 -3.377 2.836) 4.444 13.937 ( 2.522 -9.904 0.275) 10.224 14.256 ( -10.985 8.929 3.232) 14.520 14.596 ( -3.960 -4.630 2.251) 6.495 14.617 ( -2.523 4.966 4.138) 6.939 15.051 ( -0.313 -5.499 0.545) 5.535 16.114 ( -1.547 10.055 -4.518) 11.132 16.466 ( 4.733 -0.951 -1.646) 5.101 16.685 ( 6.865 5.268 -0.308) 8.658 16.806 ( -2.341 0.706 -4.005) 4.692 16.969 ( -2.061 1.841 -13.060) 13.349 17.124 ( 0.033 -0.046 -2.627) 2.628 17.254 ( -3.168 -5.068 -9.950) 11.607 17.520 ( 4.816 -11.010 -4.037) 12.677 18.161 ( -0.898 2.173 9.272) 9.566 18.267 ( -3.310 -1.030 11.905) 12.399 18.633 ( 1.725 1.676 -0.762) 2.523 18.808 ( -0.761 -3.873 -2.245) 4.541 ======================= Grid point 83 (41/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 5.933 13.167 -3.264) 14.806 1.930 ( 6.957 6.976 3.752) 10.543 2.140 ( 1.693 7.052 -3.864) 8.218 2.317 ( -4.431 7.906 12.181) 15.183 2.458 ( 1.457 2.360 -5.138) 5.839 2.533 ( 2.950 0.789 -2.691) 4.070 2.600 ( -0.363 -4.639 -1.986) 5.059 2.784 ( -4.544 -8.933 -2.905) 10.435 2.935 ( 0.426 -1.652 -4.289) 4.616 3.023 ( -0.014 3.930 9.314) 10.109 3.221 ( 3.374 -3.862 4.768) 7.002 3.324 ( -2.192 -13.451 2.144) 13.797 3.375 ( -1.339 -3.522 6.711) 7.697 3.506 ( 6.642 0.439 8.218) 10.576 3.667 ( 7.609 -7.614 0.103) 10.764 3.787 ( -5.338 6.891 -3.278) 9.312 4.030 ( -3.306 2.685 1.970) 4.692 4.269 ( 5.358 4.016 -0.372) 6.706 4.457 ( -0.254 3.067 -3.466) 4.635 4.571 ( -2.973 3.040 2.479) 4.922 4.743 ( 2.971 3.710 -1.661) 5.035 4.762 ( -4.596 0.790 -0.437) 4.684 4.812 ( 0.189 1.818 -3.165) 3.655 5.092 ( 1.663 6.045 -3.266) 7.070 5.252 ( 2.686 -0.082 -1.691) 3.176 5.528 ( -4.241 -1.288 -2.379) 5.030 5.633 ( 4.380 5.517 -0.333) 7.052 5.851 ( 0.912 -2.056 -1.040) 2.478 6.130 ( -0.994 -2.907 2.145) 3.747 6.288 ( 6.840 -6.634 4.128) 10.385 7.354 ( -1.511 12.828 -3.315) 13.336 7.460 ( 0.850 4.668 -0.786) 4.810 7.595 ( -1.173 4.688 -0.871) 4.911 7.774 ( -0.408 0.616 -0.476) 0.879 7.930 ( -7.034 1.218 -3.258) 7.847 7.986 ( -6.360 2.845 0.720) 7.004 8.456 ( -1.325 2.741 6.837) 7.484 8.623 ( 1.017 -3.992 3.887) 5.664 8.924 ( -1.946 2.526 -0.948) 3.326 8.980 ( -1.100 7.426 5.184) 9.123 9.636 ( 0.048 2.966 -1.247) 3.218 10.004 ( -0.534 -4.612 2.863) 5.454 10.172 ( 0.056 -0.302 6.413) 6.421 10.523 ( 1.429 -10.196 5.487) 11.666 11.049 ( -0.046 4.468 -2.226) 4.992 11.219 ( 0.395 1.810 -4.394) 4.768 11.493 ( -5.986 7.145 2.195) 9.576 11.713 ( -0.561 0.084 -0.646) 0.860 11.884 ( -0.661 0.849 -0.177) 1.090 12.171 ( 0.031 -4.166 -1.568) 4.451 12.438 ( 6.450 5.932 4.496) 9.850 12.683 ( 8.995 2.075 1.716) 9.389 13.368 ( 0.723 6.700 -6.256) 9.195 13.414 ( 4.220 9.386 -1.114) 10.351 13.808 ( -4.869 0.075 0.219) 4.875 13.938 ( -1.980 -8.954 -4.934) 10.413 14.114 ( -1.705 1.998 9.441) 9.800 14.455 ( -7.649 0.526 4.792) 9.041 14.587 ( -1.529 0.255 0.513) 1.633 15.044 ( -0.317 -6.557 2.678) 7.090 16.098 ( 0.249 14.371 -5.136) 15.263 16.542 ( 2.505 -1.517 -3.971) 4.934 16.729 ( -3.730 0.303 -5.496) 6.649 16.782 ( 3.462 5.214 -2.656) 6.799 16.859 ( -3.571 0.912 -10.359) 10.995 17.112 ( 0.381 0.083 -3.167) 3.191 17.261 ( 3.989 -3.528 -6.621) 8.497 17.597 ( 3.135 -12.255 -2.978) 12.996 18.169 ( -0.760 1.624 9.492) 9.659 18.228 ( -3.335 -0.258 12.204) 12.654 18.656 ( 0.674 1.857 -1.941) 2.770 18.797 ( 0.256 -3.053 -1.283) 3.322 ======================= Grid point 84 (42/100) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.090 7.623 -3.744) 10.451 1.941 ( -2.775 9.060 -1.985) 9.681 2.146 ( -5.493 7.903 5.707) 11.189 2.303 ( 3.563 5.809 5.076) 8.497 2.481 ( -1.186 -7.819 -4.778) 9.240 2.571 ( 0.230 4.808 4.823) 6.814 2.619 ( 5.302 3.173 -2.443) 6.644 2.765 ( 3.112 -4.576 -0.416) 5.549 2.881 ( -3.566 -5.179 -1.302) 6.421 3.070 ( 1.534 -2.497 7.456) 8.011 3.245 ( -2.261 -8.217 4.685) 9.725 3.312 ( -0.980 -4.756 3.160) 5.793 3.385 ( -0.656 1.872 3.797) 4.284 3.582 ( -9.799 8.885 -1.591) 13.323 3.695 ( 7.274 -1.037 4.510) 8.621 3.823 ( 3.524 -8.879 3.126) 10.051 4.003 ( 1.647 4.831 2.421) 5.649 4.293 ( -5.046 -5.879 -3.061) 8.330 4.408 ( 1.302 5.063 1.376) 5.405 4.593 ( 2.630 6.186 -2.127) 7.051 4.685 ( -1.463 2.896 0.704) 3.320 4.792 ( 1.436 3.431 0.594) 3.766 4.807 ( -0.100 1.562 -5.159) 5.391 5.091 ( -1.567 3.891 -2.362) 4.814 5.326 ( 5.338 0.053 -7.228) 8.985 5.377 ( -7.395 1.412 -2.089) 7.813 5.721 ( 2.474 5.312 -0.594) 5.890 5.868 ( -0.057 -2.198 -0.326) 2.223 6.086 ( -3.236 -2.499 1.148) 4.247 6.366 ( -0.892 -3.972 2.609) 4.835 7.326 ( -0.091 10.541 -2.541) 10.844 7.507 ( 1.311 3.881 -0.989) 4.215 7.589 ( 0.311 8.053 0.645) 8.085 7.721 ( 0.033 -5.307 -0.771) 5.363 7.830 ( -1.900 8.185 -0.533) 8.419 7.927 ( 0.717 -0.439 -1.332) 1.575 8.469 ( 0.795 3.233 6.702) 7.483 8.635 ( -0.753 -3.289 3.168) 4.628 8.895 ( -0.484 5.828 -0.275) 5.854 8.997 ( 1.227 3.428 6.375) 7.342 9.655 ( 2.070 2.278 -2.485) 3.956 10.008 ( 0.132 -5.471 3.255) 6.368 10.171 ( -1.782 -0.614 6.108) 6.392 10.501 ( -4.315 -9.945 2.133) 11.049 11.072 ( 2.218 4.746 -0.707) 5.286 11.228 ( 1.563 6.612 -5.509) 8.747 11.403 ( -2.899 0.179 2.482) 3.820 11.701 ( -0.140 -2.535 -2.982) 3.917 11.881 ( 0.708 3.763 2.425) 4.533 12.201 ( 1.705 -2.235 -0.223) 2.819 12.512 ( -0.431 4.340 5.945) 7.373 12.784 ( -0.326 1.912 2.058) 2.828 13.420 ( 7.325 6.784 -3.607) 10.615 13.480 ( -3.174 8.241 -2.398) 9.151 13.699 ( -0.001 3.802 -0.107) 3.803 13.838 ( -5.397 -6.096 -6.323) 10.308 14.181 ( 2.553 -5.601 8.370) 10.389 14.349 ( -2.915 2.881 4.755) 6.277 14.590 ( 2.401 0.028 2.078) 3.176 15.069 ( 1.675 -6.997 4.850) 8.677 16.074 ( -0.720 15.551 -5.990) 16.680 16.542 ( -1.151 -1.922 -6.032) 6.434 16.607 ( -4.557 1.458 -8.793) 10.011 16.745 ( -1.771 -1.836 -12.967) 13.215 16.931 ( 7.934 4.304 1.742) 9.192 17.116 ( 0.482 0.280 -3.807) 3.848 17.306 ( 0.841 -1.375 -4.912) 5.170 17.638 ( 1.529 -11.713 -2.168) 12.009 18.180 ( -1.065 1.133 9.152) 9.283 18.204 ( -1.633 0.324 13.061) 13.167 18.650 ( -0.555 2.113 -2.671) 3.450 18.807 ( 0.793 -3.042 -0.762) 3.234 ======================= Grid point 85 (43/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -7.520 14.063 -2.523) 16.146 1.977 ( -5.396 12.343 -1.355) 13.539 2.057 ( 4.293 7.513 7.876) 11.701 2.307 ( -5.220 -6.028 -8.713) 11.811 2.474 ( 4.572 -7.825 3.655) 9.772 2.618 ( -2.177 6.497 6.430) 9.397 2.685 ( 1.709 -1.671 2.244) 3.278 2.846 ( 3.909 -7.159 -3.592) 8.912 2.903 ( 7.501 5.490 3.143) 9.812 3.098 ( -2.325 -0.862 1.815) 3.073 3.161 ( -6.883 -4.177 -2.379) 8.395 3.253 ( -2.151 -4.106 8.473) 9.658 3.352 ( -2.975 4.348 2.315) 5.755 3.432 ( -3.490 2.410 5.879) 7.250 3.743 ( -3.238 -7.495 1.818) 8.365 3.839 ( -2.689 -3.267 2.424) 4.876 4.090 ( 1.720 4.173 -1.971) 4.925 4.227 ( 3.500 -6.942 -1.267) 7.877 4.432 ( -1.473 5.621 2.017) 6.151 4.643 ( 2.954 6.869 0.232) 7.481 4.720 ( 3.556 5.253 -1.260) 6.467 4.740 ( -2.227 0.635 -6.945) 7.321 4.839 ( 1.471 0.396 2.232) 2.702 5.020 ( -3.968 5.109 -1.477) 6.635 5.238 ( -4.821 5.309 -1.908) 7.421 5.408 ( 3.268 0.664 -9.083) 9.676 5.701 ( -4.314 0.696 3.241) 5.440 5.850 ( -0.114 -1.669 -1.993) 2.602 6.047 ( -0.119 -5.791 0.172) 5.795 6.277 ( -7.307 -5.489 2.908) 9.590 7.352 ( 2.941 7.614 -0.605) 8.185 7.471 ( -2.081 6.869 -1.605) 7.354 7.603 ( 2.254 7.156 -0.352) 7.511 7.774 ( -2.530 8.399 -2.731) 9.187 7.885 ( 10.312 -2.146 -0.204) 10.535 7.987 ( 4.668 0.042 -1.825) 5.012 8.525 ( 2.327 2.026 7.970) 8.546 8.614 ( -2.031 -1.471 4.092) 4.799 8.906 ( 1.429 6.993 0.741) 7.176 9.052 ( 1.791 0.764 5.701) 6.024 9.702 ( 2.761 1.669 -3.044) 4.436 10.027 ( 0.464 -4.871 4.914) 6.935 10.138 ( -2.588 -2.348 5.692) 6.679 10.380 ( -6.695 -7.347 1.638) 10.074 11.115 ( 1.322 4.890 0.268) 5.073 11.266 ( 4.175 9.702 -6.094) 12.194 11.374 ( -0.978 -2.957 2.601) 4.058 11.698 ( 0.868 -4.084 -3.309) 5.327 11.930 ( 2.568 6.760 4.157) 8.341 12.191 ( -2.274 1.952 -2.939) 4.198 12.500 ( -2.123 -0.195 7.064) 7.378 12.688 ( -8.426 0.193 1.580) 8.575 13.316 ( -8.210 6.179 -3.145) 10.746 13.611 ( 8.916 3.528 -1.476) 9.702 13.718 ( -2.345 -1.566 -3.993) 4.888 13.782 ( 3.648 -0.081 -1.369) 3.898 14.223 ( 1.690 -2.966 6.262) 7.133 14.368 ( 3.003 7.872 2.533) 8.797 14.686 ( 3.857 -2.580 5.150) 6.932 15.122 ( 1.280 -7.160 4.271) 8.435 16.063 ( 1.859 12.446 -3.331) 13.018 16.456 ( -4.028 -0.806 -8.928) 9.828 16.543 ( -0.165 2.109 -8.590) 8.847 16.698 ( 1.190 -2.725 -9.739) 10.183 17.076 ( 2.010 2.042 -6.664) 7.254 17.137 ( 5.392 1.990 1.813) 6.027 17.261 ( -3.208 -0.238 -6.266) 7.043 17.647 ( -0.364 -10.632 -2.284) 10.880 18.170 ( -1.937 1.478 9.470) 9.778 18.235 ( 0.484 -0.136 12.721) 12.731 18.623 ( -1.182 2.282 -2.487) 3.576 18.823 ( 0.882 -3.733 -0.925) 3.946 ======================= Grid point 86 (44/100) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -6.090 18.995 3.119) 20.190 1.813 ( -7.481 20.617 -1.851) 22.010 2.166 ( -1.844 -1.780 -6.255) 6.760 2.184 ( 0.448 -0.275 4.642) 4.672 2.484 ( -4.168 1.885 1.680) 4.873 2.625 ( 2.576 -10.750 1.756) 11.193 2.729 ( 2.068 -1.649 4.187) 4.953 2.878 ( -8.870 2.744 -1.816) 9.461 2.959 ( 6.135 -5.544 -5.319) 9.832 3.102 ( 5.815 4.845 -0.662) 7.598 3.130 ( -0.343 -5.416 2.046) 5.799 3.232 ( -2.293 -3.098 5.971) 7.107 3.301 ( -2.062 9.501 6.794) 11.861 3.448 ( 2.464 -6.189 6.804) 9.522 3.646 ( -5.100 -11.063 4.931) 13.142 3.762 ( -2.843 1.674 -2.584) 4.191 4.062 ( -1.929 2.645 -6.239) 7.046 4.267 ( -5.394 -3.292 2.679) 6.864 4.397 ( 2.486 2.838 -4.876) 6.165 4.648 ( -2.948 2.061 -1.207) 3.794 4.761 ( 5.273 8.685 2.756) 10.527 4.776 ( 0.424 3.727 -4.795) 6.089 4.886 ( 1.861 -0.631 1.598) 2.533 4.953 ( -0.843 6.794 2.594) 7.321 5.166 ( -1.408 7.276 -0.860) 7.461 5.402 ( -0.578 1.551 -6.318) 6.532 5.616 ( -3.657 -4.571 2.506) 6.367 5.870 ( 2.171 -1.932 -2.877) 4.090 6.064 ( 0.745 -9.666 1.432) 9.800 6.131 ( -5.876 -5.605 3.999) 9.052 7.425 ( 3.338 6.303 0.501) 7.150 7.451 ( 0.326 9.519 -2.867) 9.946 7.663 ( 3.253 6.102 -1.449) 7.065 7.704 ( -2.922 6.922 -3.694) 8.373 8.075 ( 6.885 -0.078 -1.994) 7.168 8.089 ( 5.035 1.810 -1.718) 5.620 8.574 ( -2.903 0.163 6.276) 6.916 8.592 ( 0.936 0.190 8.570) 8.623 8.950 ( 2.202 7.128 0.702) 7.494 9.085 ( -0.356 -0.400 4.397) 4.430 9.738 ( 0.960 1.381 -3.071) 3.501 10.039 ( -1.487 -0.810 9.311) 9.464 10.112 ( -0.777 -6.167 1.869) 6.491 10.271 ( -3.196 -5.356 5.259) 8.158 11.132 ( 0.522 5.538 -0.094) 5.564 11.327 ( -0.029 0.132 -4.593) 4.595 11.412 ( 6.482 5.089 1.224) 8.331 11.722 ( 1.866 -2.946 -0.205) 3.494 11.974 ( -0.081 9.008 1.159) 9.083 12.144 ( 0.184 1.719 -1.742) 2.455 12.418 ( -8.451 2.473 0.427) 8.815 12.498 ( -7.599 -1.697 2.508) 8.180 13.168 ( -4.306 4.108 -1.349) 6.102 13.651 ( -0.906 4.112 -6.370) 7.635 13.767 ( 4.008 -7.828 0.052) 8.795 13.830 ( 0.791 -1.514 2.112) 2.716 14.353 ( 8.376 2.691 3.189) 9.358 14.464 ( 4.477 7.468 2.607) 9.090 14.724 ( -1.758 -0.747 4.828) 5.192 15.117 ( -2.572 -5.650 2.152) 6.570 16.167 ( 7.971 8.166 0.981) 11.454 16.332 ( -4.882 2.419 -8.890) 10.427 16.515 ( -0.651 2.053 -7.387) 7.694 16.762 ( 5.658 -5.274 -3.687) 8.569 17.054 ( 0.108 2.252 -11.920) 12.131 17.162 ( -3.129 1.240 -6.836) 7.620 17.277 ( 5.882 -0.940 -1.068) 6.052 17.594 ( -4.104 -8.710 -3.953) 10.408 18.158 ( -1.572 2.074 9.292) 9.650 18.278 ( -0.001 -1.081 12.204) 12.252 18.596 ( -0.547 2.291 -1.385) 2.732 18.837 ( 0.592 -4.817 -1.654) 5.127 ======================= Grid point 87 (45/100) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -1.881 11.726 1.351) 11.952 1.966 ( -2.761 3.327 -5.337) 6.868 2.213 ( 4.939 8.772 -7.900) 12.797 2.281 ( 2.159 8.463 3.774) 9.514 2.422 ( 2.321 -6.740 -1.422) 7.269 2.470 ( 1.094 -8.049 0.514) 8.139 2.700 ( -5.074 -2.085 -0.578) 5.516 2.739 ( -0.191 -4.445 1.372) 4.656 2.886 ( -2.320 1.844 0.751) 3.057 3.021 ( 2.472 -7.834 5.687) 9.992 3.038 ( -4.125 2.083 -0.205) 4.625 3.183 ( -3.209 -7.223 6.238) 10.069 3.272 ( -2.806 -0.318 3.747) 4.692 3.382 ( -3.007 -8.751 4.381) 10.238 3.687 ( -0.904 15.678 4.537) 16.347 3.923 ( -0.075 -9.085 -0.752) 9.116 4.037 ( 5.562 10.418 -3.152) 12.223 4.152 ( -0.736 -0.446 -0.562) 1.028 4.477 ( 1.765 4.415 -5.283) 7.107 4.588 ( 2.113 -4.986 -3.378) 6.383 4.835 ( -1.976 5.231 -2.157) 5.993 4.889 ( -1.681 -0.038 -0.440) 1.738 5.011 ( -0.647 6.320 3.100) 7.069 5.073 ( 2.078 0.332 5.199) 5.609 5.280 ( 0.207 6.012 -2.704) 6.595 5.404 ( 0.913 -4.667 -6.525) 8.074 5.508 ( 2.871 2.297 2.344) 4.361 5.673 ( 0.019 -13.629 3.374) 14.040 5.994 ( -0.138 1.752 4.678) 4.997 6.038 ( 0.131 -2.697 3.251) 4.227 7.568 ( 1.103 3.467 0.074) 3.639 7.590 ( 1.366 2.114 -2.340) 3.437 7.728 ( -2.155 3.750 -4.631) 6.337 7.764 ( 0.225 0.253 -3.308) 3.326 8.178 ( 1.434 1.824 -2.084) 3.119 8.204 ( 1.934 0.166 -1.920) 2.730 8.532 ( -3.590 0.735 9.148) 9.854 8.563 ( -3.106 -2.387 8.905) 9.729 9.071 ( -0.360 4.913 -1.218) 5.075 9.130 ( -0.090 1.035 0.499) 1.153 9.763 ( -1.204 4.116 -0.705) 4.346 9.897 ( -0.814 -8.598 -0.270) 8.641 10.128 ( 0.624 3.067 10.059) 10.535 10.197 ( 1.905 -4.117 8.439) 9.581 11.213 ( -1.617 3.313 -1.394) 3.941 11.262 ( -1.833 -1.794 -2.337) 3.470 11.635 ( 4.466 3.828 1.774) 6.144 11.713 ( 2.991 -3.921 1.784) 5.245 12.126 ( 0.606 7.114 -1.082) 7.222 12.222 ( 3.001 -1.954 -1.242) 3.791 12.290 ( -6.000 3.237 -2.823) 7.379 12.335 ( -5.233 -1.565 -1.713) 5.725 13.304 ( 3.005 11.614 2.766) 12.311 13.569 ( 2.929 -13.637 2.248) 14.128 13.725 ( -1.443 4.762 -3.677) 6.187 13.810 ( -0.517 -3.310 0.228) 3.358 14.519 ( -1.680 1.850 2.164) 3.305 14.543 ( -0.005 -0.583 3.260) 3.312 14.801 ( -1.597 7.566 3.719) 8.580 14.949 ( -1.765 -7.036 2.130) 7.560 16.313 ( -1.519 4.773 -5.306) 7.296 16.373 ( 1.916 -1.217 -2.446) 3.337 16.631 ( 7.021 6.458 -1.307) 9.628 16.754 ( 5.015 -5.489 -1.471) 7.579 17.062 ( 0.212 2.308 -13.942) 14.134 17.104 ( 0.557 -1.576 -12.290) 12.403 17.301 ( -2.202 -0.352 -3.247) 3.939 17.353 ( -3.598 -5.014 -3.841) 7.269 18.207 ( -1.271 2.639 9.750) 10.180 18.255 ( -1.623 -2.214 10.472) 10.825 18.653 ( 0.673 3.412 -0.769) 3.561 18.734 ( 0.048 -4.717 -1.499) 4.950 ======================= Grid point 88 (46/100) ======================= q-point: ( 0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.412 9.256 -5.164) 10.870 1.938 ( 1.749 3.608 -3.913) 5.602 2.261 ( 0.950 9.682 -2.727) 10.104 2.410 ( 4.152 3.893 5.696) 8.053 2.414 ( 1.635 -1.007 -3.256) 3.780 2.504 ( 0.904 -5.161 0.810) 5.302 2.619 ( -1.839 1.186 1.102) 2.450 2.717 ( -1.403 -7.134 -1.695) 7.465 2.902 ( -2.317 -1.579 -0.068) 2.805 2.959 ( 1.752 0.921 3.019) 3.610 3.114 ( -0.162 -5.495 4.198) 6.916 3.188 ( 7.665 -8.219 3.474) 11.763 3.223 ( -2.750 0.134 3.060) 4.116 3.308 ( -3.731 -7.524 5.941) 10.287 3.680 ( -0.510 14.362 3.469) 14.784 3.912 ( -0.501 -8.204 -2.057) 8.473 4.070 ( -0.273 6.937 0.706) 6.978 4.197 ( 2.162 -3.675 -0.403) 4.283 4.557 ( 6.242 7.956 -3.197) 10.606 4.655 ( 2.896 -1.585 -0.614) 3.358 4.778 ( -1.900 4.292 -4.831) 6.736 4.821 ( -3.474 -0.588 -3.068) 4.671 4.951 ( -4.879 6.681 3.683) 9.055 5.094 ( -1.485 -4.686 4.075) 6.385 5.299 ( 1.573 7.047 -3.305) 7.941 5.436 ( 3.255 -5.604 -5.626) 8.581 5.628 ( 6.192 2.715 1.223) 6.871 5.728 ( 5.141 -8.079 0.343) 9.582 6.031 ( 2.654 0.153 7.287) 7.757 6.061 ( 0.972 -2.489 4.697) 5.404 7.569 ( -0.690 4.628 -0.502) 4.706 7.600 ( 0.126 3.061 -3.301) 4.504 7.676 ( -1.747 4.199 -2.461) 5.171 7.759 ( -0.128 -2.614 -2.243) 3.447 8.111 ( -6.553 2.367 -2.960) 7.570 8.160 ( -5.708 -1.188 -1.359) 5.987 8.497 ( -1.799 1.013 8.415) 8.664 8.534 ( -0.853 -2.509 7.289) 7.756 9.043 ( -1.707 5.864 -1.150) 6.215 9.117 ( -1.214 0.640 0.001) 1.372 9.729 ( -1.677 5.074 0.718) 5.392 9.873 ( -1.331 -8.576 1.018) 8.738 10.186 ( 1.689 4.019 9.086) 10.078 10.282 ( 3.156 -6.020 8.093) 10.569 11.160 ( -2.251 3.187 -2.524) 4.647 11.212 ( -1.677 -2.130 -3.081) 4.104 11.701 ( 0.598 3.049 3.345) 4.566 11.749 ( -0.547 -1.624 1.192) 2.088 12.015 ( -7.275 7.516 -3.141) 10.922 12.146 ( -6.153 -5.331 -3.057) 8.697 12.354 ( 9.773 5.160 0.539) 11.065 12.435 ( 11.293 -2.366 0.392) 11.545 13.419 ( 5.983 11.083 3.376) 13.040 13.651 ( -3.739 7.205 -5.482) 9.795 13.663 ( 4.381 -12.489 3.069) 13.587 13.780 ( -1.971 -5.787 -1.142) 6.219 14.400 ( -8.638 5.792 3.076) 10.845 14.499 ( -5.454 -4.692 2.288) 7.549 14.761 ( -2.768 8.162 3.495) 9.300 14.919 ( -1.661 -7.612 1.949) 8.032 16.297 ( 1.635 8.040 -3.885) 9.077 16.418 ( 3.414 -4.163 -2.751) 6.046 16.776 ( 4.935 3.362 -1.630) 6.190 16.811 ( 0.388 -0.470 -2.503) 2.576 17.023 ( -1.322 4.050 -11.929) 12.667 17.116 ( 3.168 -3.897 -10.299) 11.459 17.192 ( -4.144 2.592 -5.418) 7.297 17.320 ( 1.498 -8.977 -4.161) 10.008 18.204 ( -1.549 2.052 9.706) 10.041 18.240 ( -2.408 -1.640 10.457) 10.855 18.674 ( 1.308 2.546 -0.798) 2.971 18.734 ( 0.347 -3.504 -1.412) 3.794 ======================= Grid point 89 (47/100) ======================= q-point: ( 0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.804 9.373 -9.299) 13.741 2.005 ( 4.361 0.402 -4.814) 6.508 2.257 ( -0.909 5.142 -2.363) 5.732 2.348 ( -3.215 -2.758 -0.654) 4.286 2.502 ( -0.504 0.879 -0.431) 1.101 2.551 ( 4.666 -2.785 1.526) 5.644 2.658 ( 2.251 7.056 4.956) 8.912 2.677 ( -0.460 1.654 1.209) 2.100 2.866 ( -1.291 -2.940 2.146) 3.862 2.948 ( -1.936 -8.948 7.164) 11.624 3.166 ( -3.276 -2.516 4.969) 6.462 3.196 ( -1.875 -2.217 5.114) 5.881 3.292 ( 10.101 2.211 3.752) 11.000 3.444 ( 10.689 -9.488 1.534) 14.375 3.697 ( 1.511 10.814 2.246) 11.148 3.879 ( -2.339 -4.152 -2.387) 5.330 4.046 ( -2.673 5.723 2.269) 6.711 4.210 ( -1.421 -8.056 0.822) 8.222 4.597 ( -4.669 7.053 1.201) 8.544 4.647 ( 0.441 2.275 -0.984) 2.517 4.777 ( 0.985 2.040 -3.489) 4.160 4.809 ( 4.072 0.299 -5.618) 6.946 4.867 ( -2.947 6.588 2.729) 7.716 5.056 ( -2.194 -9.188 1.298) 9.535 5.315 ( 1.449 6.477 -5.458) 8.593 5.443 ( -1.660 -5.941 -4.716) 7.765 5.757 ( 5.703 5.902 -3.301) 8.846 5.833 ( 3.428 -1.480 -3.628) 5.207 6.104 ( 1.464 0.675 6.800) 6.988 6.166 ( 6.552 -5.264 8.886) 12.231 7.552 ( -0.774 4.466 -1.196) 4.688 7.576 ( -0.988 8.032 -3.956) 9.007 7.633 ( -1.695 0.179 -0.066) 1.705 7.730 ( -2.702 -4.358 -1.596) 5.370 7.959 ( -5.333 2.055 -1.041) 5.809 8.006 ( -6.618 -1.584 0.481) 6.822 8.500 ( -0.092 2.395 5.883) 6.352 8.555 ( 0.524 -3.059 5.497) 6.313 9.006 ( -1.160 6.206 -0.873) 6.373 9.086 ( -1.404 0.326 0.070) 1.443 9.704 ( -0.797 5.140 1.148) 5.326 9.851 ( -1.010 -8.877 1.603) 9.077 10.231 ( 0.041 4.720 7.772) 9.093 10.347 ( 0.533 -7.309 6.485) 9.785 11.129 ( 0.296 3.633 -2.578) 4.464 11.193 ( 0.952 -2.843 -3.144) 4.344 11.642 ( -6.239 5.633 -1.518) 8.542 11.702 ( -2.709 -1.271 -2.131) 3.674 11.934 ( -0.321 4.871 1.766) 5.191 12.059 ( -0.807 -6.747 1.131) 6.889 12.571 ( 8.046 6.740 3.111) 10.948 12.675 ( 9.039 -3.148 2.235) 9.828 13.508 ( 0.090 8.045 -2.971) 8.577 13.593 ( 2.035 6.876 -3.046) 7.791 13.723 ( -0.717 -8.784 -1.856) 9.007 13.760 ( 1.449 -5.302 1.052) 5.596 14.225 ( -7.453 6.804 5.442) 11.465 14.359 ( -6.993 -6.778 2.893) 10.159 14.720 ( -1.737 9.164 3.688) 10.030 14.896 ( -0.897 -8.400 3.288) 9.065 16.341 ( 2.660 9.963 -5.560) 11.715 16.485 ( 2.973 -4.764 -4.588) 7.252 16.747 ( -4.358 1.689 -5.326) 7.086 16.789 ( -3.261 -2.187 -7.604) 8.558 16.970 ( 1.236 7.638 -7.450) 10.741 17.094 ( 0.460 -3.872 -8.405) 9.265 17.231 ( 5.000 3.001 -2.683) 6.419 17.372 ( 3.300 -10.082 -1.827) 10.765 18.198 ( -1.469 1.249 9.947) 10.132 18.218 ( -2.356 -0.753 10.728) 11.009 18.694 ( 0.712 2.064 -1.337) 2.560 18.740 ( 0.555 -2.651 -1.126) 2.933 ======================= Grid point 90 (48/100) ======================= q-point: (-0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 4.238 7.882 -8.986) 12.682 2.061 ( 2.622 1.631 -6.527) 7.221 2.192 ( -3.363 1.335 -3.740) 5.203 2.292 ( -2.366 -7.788 -3.113) 8.715 2.454 ( -3.729 7.574 -0.666) 8.469 2.630 ( -1.874 -8.174 3.049) 8.923 2.724 ( 6.168 4.891 6.557) 10.245 2.746 ( 5.733 3.825 5.351) 8.725 2.833 ( -1.615 5.477 5.751) 8.105 2.964 ( -0.025 -5.575 4.880) 7.409 3.124 ( -2.305 -3.933 9.107) 10.185 3.173 ( -0.717 -7.274 4.399) 8.531 3.479 ( 2.774 5.320 2.643) 6.556 3.611 ( 2.345 -7.946 1.272) 8.382 3.734 ( -0.783 8.262 1.911) 8.516 3.830 ( 1.772 4.698 1.166) 5.154 3.984 ( -2.830 -1.549 0.212) 3.233 4.126 ( -5.156 -10.279 -1.248) 11.567 4.564 ( 1.535 8.273 3.629) 9.163 4.655 ( 2.030 -0.723 -0.030) 2.155 4.779 ( -0.553 5.816 -1.553) 6.045 4.837 ( -0.971 0.296 -2.447) 2.649 4.863 ( 1.732 4.991 -3.162) 6.157 5.026 ( -0.524 -8.941 -0.962) 9.008 5.344 ( 2.532 2.151 -5.495) 6.421 5.379 ( -2.063 -1.129 -4.270) 4.875 5.803 ( -0.400 3.228 -6.271) 7.065 5.851 ( -0.500 -1.289 -4.671) 4.871 6.118 ( -3.175 5.673 7.218) 9.714 6.255 ( -1.603 -6.985 6.199) 9.475 7.490 ( -2.256 6.309 -3.250) 7.446 7.583 ( -1.436 -0.581 -3.493) 3.821 7.639 ( 3.794 0.891 2.758) 4.774 7.686 ( 2.257 0.778 1.501) 2.819 7.916 ( 0.808 0.187 -1.214) 1.470 7.920 ( -1.780 0.926 -0.448) 2.056 8.519 ( 0.357 2.479 5.556) 6.094 8.575 ( -0.115 -3.029 5.174) 5.996 8.998 ( 0.572 5.884 -0.607) 5.943 9.071 ( 0.065 0.289 0.829) 0.881 9.705 ( 0.769 4.271 0.548) 4.374 9.844 ( 0.052 -8.973 1.390) 9.080 10.225 ( -2.473 4.448 6.878) 8.556 10.333 ( -3.109 -6.802 4.595) 8.777 11.157 ( 2.424 4.016 -1.100) 4.818 11.231 ( 2.925 -3.291 -2.280) 4.958 11.513 ( -4.258 7.366 -3.506) 9.202 11.631 ( -2.342 -4.634 -4.792) 7.066 11.975 ( 2.859 5.973 5.062) 8.335 12.105 ( 3.360 -6.579 4.573) 8.688 12.644 ( -2.113 7.592 2.282) 8.205 12.766 ( -1.539 -3.978 1.637) 4.569 13.523 ( 2.910 5.174 -2.795) 6.561 13.603 ( -1.094 0.640 -6.130) 6.259 13.723 ( 0.094 -1.289 -1.299) 1.833 13.742 ( -2.118 -1.071 0.103) 2.376 14.170 ( 0.527 3.865 7.545) 8.493 14.285 ( 0.406 -6.527 3.888) 7.608 14.718 ( 0.653 9.801 4.740) 10.906 14.909 ( 1.118 -9.095 4.929) 10.405 16.338 ( -1.349 10.736 -7.798) 13.337 16.485 ( -1.737 -4.454 -6.825) 8.332 16.635 ( -3.032 1.874 -8.794) 9.489 16.690 ( -1.870 -3.377 -11.133) 11.783 17.038 ( 5.499 5.581 -3.698) 8.664 17.113 ( 2.383 -1.554 -6.247) 6.864 17.301 ( 1.622 2.364 -1.511) 3.241 17.424 ( 1.762 -9.412 -0.230) 9.578 18.199 ( -1.224 0.677 10.007) 10.105 18.207 ( -1.344 -0.121 11.353) 11.433 18.694 ( -0.255 2.438 -1.755) 3.015 18.747 ( 0.310 -2.930 -1.025) 3.119 ======================= Grid point 91 (49/100) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -1.531 11.556 -4.328) 12.435 2.095 ( 2.172 4.759 -5.707) 7.742 2.172 ( 3.090 -3.021 -4.169) 6.005 2.208 ( -3.893 -7.046 -5.137) 9.549 2.375 ( -2.711 4.872 -0.768) 5.628 2.539 ( -5.292 -9.271 0.954) 10.718 2.798 ( -1.874 6.945 7.201) 10.178 2.814 ( -0.990 2.940 6.051) 6.800 2.965 ( 6.329 -2.121 4.036) 7.800 3.001 ( 6.314 -0.299 4.383) 7.692 3.112 ( -1.632 -4.047 8.922) 9.932 3.171 ( -1.513 -4.555 4.834) 6.812 3.380 ( -9.147 5.462 4.292) 11.486 3.538 ( -7.417 -8.964 3.370) 12.113 3.707 ( -1.783 14.418 4.404) 15.181 3.887 ( -1.188 5.665 -3.911) 6.985 3.990 ( 3.437 -10.096 3.092) 11.104 4.072 ( 2.269 -8.927 -4.100) 10.082 4.610 ( -1.014 8.489 -1.990) 8.778 4.704 ( -0.305 -1.644 -5.405) 5.658 4.785 ( 3.057 4.591 2.952) 6.256 4.809 ( 1.955 1.803 -0.836) 2.788 4.883 ( 0.762 5.214 -0.447) 5.288 5.019 ( -0.224 -5.342 0.391) 5.361 5.332 ( -0.820 4.264 -3.756) 5.741 5.397 ( 2.779 -2.027 -6.579) 7.424 5.706 ( -7.311 1.852 -2.687) 8.007 5.784 ( -3.984 -5.183 -5.092) 8.287 6.041 ( -4.035 4.424 5.683) 8.255 6.156 ( -7.292 -6.472 5.762) 11.326 7.480 ( 1.642 5.485 -1.596) 5.944 7.548 ( 0.015 -0.363 -3.065) 3.086 7.721 ( 2.921 5.427 1.166) 6.272 7.811 ( 3.010 -3.243 0.630) 4.469 7.922 ( 5.381 4.470 -1.864) 7.239 7.982 ( 5.384 -1.266 -1.932) 5.859 8.548 ( 0.688 1.100 7.142) 7.259 8.581 ( -0.774 -1.991 6.369) 6.718 9.022 ( 1.742 5.692 -0.422) 5.967 9.092 ( 1.350 0.085 1.186) 1.799 9.736 ( 1.866 3.339 -0.146) 3.828 9.862 ( 1.331 -8.819 0.910) 8.965 10.174 ( -3.854 3.567 7.335) 9.021 10.257 ( -4.735 -5.034 4.278) 8.128 11.202 ( 1.597 4.089 0.273) 4.398 11.279 ( 1.440 -3.663 -0.527) 3.971 11.469 ( 1.418 7.754 -4.364) 9.010 11.601 ( 0.913 -5.740 -4.640) 7.438 12.065 ( 3.773 6.854 4.748) 9.152 12.179 ( 1.636 -3.838 2.046) 4.647 12.549 ( -5.834 5.031 3.298) 8.380 12.650 ( -8.219 -4.102 1.275) 9.274 13.450 ( -7.428 7.578 -3.340) 11.124 13.594 ( -0.698 -5.613 -4.621) 7.304 13.720 ( 0.879 0.976 -1.741) 2.181 13.740 ( 2.038 -1.720 1.848) 3.244 14.265 ( 6.384 5.543 5.562) 10.120 14.382 ( 6.153 -4.963 3.210) 8.532 14.766 ( 1.851 9.136 5.801) 10.979 14.957 ( 1.439 -9.403 5.126) 10.806 16.281 ( -0.826 9.122 -5.094) 10.481 16.410 ( -2.304 -4.085 -5.917) 7.550 16.588 ( 0.325 2.540 -10.795) 11.095 16.644 ( 0.242 -2.932 -11.702) 12.066 17.118 ( 1.679 2.158 -8.281) 8.721 17.153 ( 3.443 -0.962 -6.060) 7.036 17.297 ( -0.886 5.094 0.383) 5.185 17.447 ( 0.320 -9.367 0.216) 9.375 18.200 ( -1.209 1.465 10.196) 10.372 18.224 ( -0.289 -0.933 11.327) 11.369 18.676 ( -0.876 3.159 -1.755) 3.719 18.746 ( -0.091 -3.865 -1.189) 4.045 ======================= Grid point 92 (50/100) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -4.042 13.933 2.517) 14.725 2.063 ( -4.171 1.196 -6.303) 7.652 2.155 ( 2.446 2.899 -8.058) 8.906 2.244 ( 1.960 5.261 0.475) 5.635 2.362 ( 2.291 -7.479 -3.169) 8.439 2.465 ( -1.260 -6.982 0.925) 7.155 2.758 ( -2.922 1.982 5.345) 6.406 2.784 ( -1.988 -3.157 -0.218) 3.737 2.973 ( -4.267 -0.871 0.996) 4.467 3.045 ( -5.832 -1.360 7.249) 9.403 3.109 ( -2.386 -0.006 4.805) 5.364 3.180 ( 2.396 0.366 3.490) 4.249 3.309 ( -0.516 -3.539 7.668) 8.461 3.409 ( -3.682 -9.463 5.270) 11.440 3.690 ( -0.896 15.864 4.869) 16.618 3.875 ( 2.774 3.728 -3.539) 5.841 3.996 ( -1.058 -1.782 -2.292) 3.090 4.164 ( 2.889 -9.304 -0.775) 9.773 4.509 ( -4.021 7.331 -6.817) 10.788 4.623 ( -3.403 -3.785 -6.203) 8.024 4.858 ( 0.714 3.636 0.612) 3.755 4.888 ( 1.753 0.748 0.569) 1.989 4.939 ( 5.413 7.308 3.728) 9.829 5.024 ( 0.671 -0.287 3.127) 3.211 5.304 ( -0.913 6.863 -4.296) 8.148 5.410 ( 0.466 -2.463 -6.389) 6.863 5.542 ( -6.097 0.855 0.912) 6.224 5.697 ( -2.819 -12.595 0.535) 12.917 5.999 ( -1.475 1.865 4.272) 4.889 6.053 ( -3.096 -3.220 4.185) 6.121 7.526 ( 2.527 3.958 -0.524) 4.725 7.562 ( 1.668 1.206 -2.481) 3.224 7.759 ( 0.890 3.841 -2.104) 4.469 7.790 ( -1.998 1.307 -4.039) 4.692 8.086 ( 7.105 1.493 -0.680) 7.292 8.112 ( 6.380 -0.195 -1.435) 6.542 8.573 ( -2.101 -0.261 7.954) 8.231 8.577 ( -0.433 -0.947 8.775) 8.837 9.059 ( 1.561 5.158 -0.690) 5.433 9.121 ( 0.841 0.415 0.872) 1.280 9.769 ( 0.966 3.236 -0.970) 3.514 9.894 ( 1.177 -8.835 -0.095) 8.914 10.122 ( -2.634 2.881 9.198) 9.992 10.184 ( -2.779 -3.505 6.395) 7.804 11.225 ( 0.523 3.889 -0.089) 3.925 11.289 ( -0.214 -2.710 -0.843) 2.846 11.532 ( 4.729 5.835 -2.270) 7.846 11.639 ( 3.262 -5.049 -1.641) 6.231 12.126 ( 0.406 5.776 -0.016) 5.790 12.181 ( 0.193 0.367 -1.283) 1.348 12.445 ( -5.460 1.051 2.732) 6.195 12.474 ( -8.296 -1.333 1.819) 8.597 13.309 ( -3.938 10.315 -1.022) 11.088 13.547 ( -1.112 -12.716 -1.408) 12.842 13.736 ( 0.798 3.787 -2.191) 4.448 13.796 ( 1.695 -2.253 1.332) 3.118 14.431 ( 6.787 4.493 3.636) 8.915 14.508 ( 3.987 -2.478 2.561) 5.347 14.804 ( 0.140 8.154 4.939) 9.534 14.976 ( -0.982 -8.367 3.509) 9.126 16.310 ( 3.916 5.517 -1.236) 6.877 16.363 ( -1.388 0.037 -5.270) 5.450 16.566 ( 0.702 3.515 -8.846) 9.545 16.657 ( 3.935 -5.313 -6.424) 9.218 17.099 ( -0.102 2.442 -11.951) 12.198 17.149 ( -0.993 -2.311 -11.489) 11.761 17.308 ( 1.021 4.321 0.992) 4.550 17.430 ( -2.061 -7.637 -1.272) 8.012 18.204 ( -1.096 2.431 9.989) 10.339 18.248 ( -0.551 -1.958 10.934) 11.122 18.655 ( -0.549 3.673 -1.305) 3.936 18.739 ( -0.165 -4.805 -1.393) 5.005 ======================= Grid point 117 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 12.576 0.000 19.399) 23.119 1.271 ( 1.345 0.000 25.560) 25.596 1.645 ( -7.468 0.000 -9.353) 11.969 2.020 ( -0.529 0.000 40.161) 40.165 2.359 ( -3.473 0.000 -4.054) 5.338 2.536 ( -1.864 0.000 -5.738) 6.033 2.709 ( 4.537 0.000 -5.119) 6.840 2.955 ( 5.032 0.000 5.186) 7.226 3.019 ( -1.429 0.000 -1.513) 2.081 3.283 ( -4.250 0.000 5.919) 7.287 3.468 ( -0.681 0.000 -5.705) 5.745 3.471 ( 2.627 0.000 -1.417) 2.984 3.682 ( -8.423 0.000 4.400) 9.503 3.729 ( -8.779 0.000 -2.895) 9.244 3.841 ( 2.582 0.000 -10.751) 11.056 3.841 ( 2.855 0.000 -5.001) 5.758 3.949 ( -2.487 0.000 -1.416) 2.862 4.026 ( 0.493 0.000 9.129) 9.143 4.049 ( 4.334 0.000 -7.478) 8.644 4.548 ( 5.965 0.000 0.368) 5.976 4.562 ( 0.016 0.000 -11.518) 11.518 4.571 ( -0.550 0.000 0.135) 0.567 4.748 ( 0.116 0.000 10.480) 10.480 4.940 ( 2.138 0.000 0.171) 2.145 4.948 ( 4.072 0.000 1.993) 4.533 5.289 ( -0.447 0.000 -9.173) 9.184 5.580 ( -3.416 0.000 9.678) 10.263 6.036 ( 5.771 0.000 -11.080) 12.493 6.248 ( 1.960 0.000 10.691) 10.870 6.555 ( -1.647 0.000 -5.120) 5.379 6.895 ( -4.460 0.000 2.747) 5.239 7.135 ( 2.733 0.000 -5.641) 6.268 7.188 ( 6.339 0.000 1.607) 6.540 7.246 ( -3.082 0.000 -1.487) 3.422 8.031 ( -0.224 0.000 -0.847) 0.876 8.062 ( -0.946 0.000 0.291) 0.990 8.486 ( -2.553 0.000 3.679) 4.478 8.686 ( 2.238 0.000 -4.002) 4.585 8.757 ( -4.362 0.000 9.759) 10.689 9.277 ( 2.330 0.000 -11.745) 11.974 9.905 ( -0.027 0.000 10.083) 10.083 10.207 ( 0.686 0.000 -3.817) 3.878 10.671 ( 1.273 0.000 3.441) 3.668 10.696 ( 2.032 0.000 6.143) 6.470 10.780 ( -0.201 0.000 -3.060) 3.067 10.936 ( -13.555 0.000 -3.384) 13.972 11.570 ( -15.267 0.000 3.781) 15.728 11.623 ( 2.530 0.000 1.185) 2.794 11.795 ( 6.325 0.000 2.009) 6.637 11.968 ( -2.577 0.000 -4.441) 5.134 12.107 ( -0.643 0.000 -1.557) 1.685 12.190 ( 1.105 0.000 -4.268) 4.409 12.985 ( 0.788 0.000 4.489) 4.557 13.129 ( -0.778 0.000 -1.707) 1.876 13.871 ( 6.865 0.000 2.503) 7.307 13.984 ( -6.556 0.000 -2.331) 6.958 14.211 ( -4.302 0.000 6.368) 7.685 14.501 ( 5.685 0.000 -5.340) 7.800 14.896 ( 3.840 0.000 3.019) 4.884 14.960 ( 1.799 0.000 0.864) 1.996 15.932 ( -7.910 0.000 5.977) 9.914 16.359 ( 3.067 0.000 -7.800) 8.381 16.515 ( 11.932 0.000 10.995) 16.226 16.679 ( -0.178 0.000 -7.286) 7.288 16.728 ( -7.721 0.000 -0.710) 7.754 17.298 ( -6.389 0.000 -19.646) 20.659 17.337 ( -2.947 0.000 6.967) 7.564 17.633 ( 12.843 0.000 -5.362) 13.917 18.272 ( -1.531 0.000 6.853) 7.022 18.488 ( 0.124 0.000 -3.048) 3.050 18.699 ( -0.470 0.000 8.116) 8.130 18.903 ( -0.235 0.000 -2.067) 2.081 ======================= Grid point 118 (52/100) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 3.538 0.000 7.572) 8.358 1.392 ( 21.034 0.000 16.929) 27.001 1.691 ( 10.511 0.000 6.139) 12.172 2.121 ( 0.457 0.000 10.342) 10.352 2.395 ( 6.807 0.000 8.212) 10.666 2.511 ( 2.845 0.000 5.010) 5.761 2.745 ( -0.906 0.000 -2.844) 2.985 2.893 ( -8.440 0.000 2.332) 8.756 3.024 ( 0.184 0.000 2.798) 2.804 3.223 ( -1.503 0.000 -7.237) 7.392 3.400 ( -2.369 0.000 -9.929) 10.207 3.407 ( -8.628 0.000 4.637) 9.795 3.546 ( -4.715 0.000 -1.470) 4.938 3.596 ( -2.928 0.000 4.329) 5.226 3.816 ( -4.025 0.000 -0.886) 4.122 3.910 ( 5.127 0.000 -7.120) 8.774 3.940 ( 1.186 0.000 3.651) 3.839 4.126 ( 5.978 0.000 5.975) 8.452 4.178 ( 8.710 0.000 -6.848) 11.080 4.519 ( -3.235 0.000 1.382) 3.518 4.522 ( -0.764 0.000 -12.236) 12.259 4.668 ( 3.856 0.000 0.466) 3.884 4.733 ( -2.740 0.000 3.386) 4.356 4.981 ( -0.187 0.000 2.622) 2.628 5.020 ( 2.304 0.000 0.061) 2.305 5.215 ( -2.703 0.000 -11.254) 11.573 5.504 ( -5.407 0.000 6.334) 8.328 6.119 ( 4.837 0.000 -10.549) 11.605 6.332 ( 2.451 0.000 10.165) 10.456 6.499 ( -2.604 0.000 -5.634) 6.207 6.838 ( -1.922 0.000 1.983) 2.761 7.143 ( -5.383 0.000 -1.632) 5.625 7.191 ( 3.546 0.000 -4.096) 5.418 7.313 ( 5.270 0.000 -1.607) 5.509 7.997 ( -2.709 0.000 0.079) 2.710 8.019 ( -2.878 0.000 -1.300) 3.158 8.434 ( -3.132 0.000 5.769) 6.564 8.655 ( -6.699 0.000 10.937) 12.825 8.724 ( 2.303 0.000 -4.489) 5.045 9.283 ( 0.844 0.000 -9.956) 9.991 9.853 ( -8.303 0.000 12.744) 15.210 10.229 ( 2.246 0.000 -6.197) 6.591 10.430 ( -17.948 0.000 15.840) 23.938 10.661 ( -0.488 0.000 1.196) 1.292 10.818 ( 5.171 0.000 7.293) 8.940 10.823 ( 0.906 0.000 -2.163) 2.345 11.476 ( 1.262 0.000 1.943) 2.317 11.682 ( 1.868 0.000 5.284) 5.605 11.848 ( -5.160 0.000 -5.937) 7.866 12.042 ( 8.730 0.000 -5.071) 10.096 12.216 ( 8.416 0.000 0.284) 8.421 12.300 ( 11.916 0.000 -2.936) 12.273 12.999 ( -0.252 0.000 4.515) 4.522 13.091 ( -1.957 0.000 -2.227) 2.965 13.781 ( -10.908 0.000 -2.334) 11.155 13.972 ( 0.176 0.000 2.643) 2.649 14.241 ( 7.193 0.000 5.781) 9.228 14.604 ( 4.452 0.000 -6.077) 7.533 14.881 ( -6.677 0.000 -1.233) 6.790 15.018 ( 3.536 0.000 -1.350) 3.785 15.769 ( -9.026 0.000 9.075) 12.799 16.391 ( 1.758 0.000 -7.983) 8.174 16.603 ( -0.139 0.000 8.053) 8.054 16.619 ( -3.111 0.000 -10.763) 11.203 16.749 ( 2.586 0.000 2.190) 3.388 17.175 ( 0.346 0.000 -11.685) 11.691 17.291 ( -1.585 0.000 5.254) 5.488 17.844 ( 8.102 0.000 -11.086) 13.731 18.268 ( -0.660 0.000 6.819) 6.851 18.478 ( -0.319 0.000 -2.444) 2.465 18.662 ( -4.695 0.000 10.228) 11.254 18.885 ( -0.623 0.000 -2.660) 2.731 ======================= Grid point 119 (53/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 3.386 0.000 4.564) 5.683 1.757 ( 8.262 0.000 15.906) 17.923 1.995 ( 13.653 0.000 11.960) 18.150 2.095 ( -3.277 0.000 6.669) 7.430 2.435 ( 1.248 0.000 -12.194) 12.257 2.617 ( -7.811 0.000 1.133) 7.892 2.811 ( -1.094 0.000 -1.242) 1.655 2.902 ( 21.079 0.000 23.086) 31.262 3.004 ( 0.298 0.000 -5.349) 5.357 3.111 ( -4.320 0.000 -9.849) 10.755 3.185 ( -13.040 0.000 6.242) 14.457 3.407 ( -8.753 0.000 -2.277) 9.044 3.436 ( 6.881 0.000 -12.542) 14.306 3.587 ( 0.350 0.000 6.983) 6.992 3.749 ( -1.537 0.000 4.023) 4.306 3.990 ( 3.790 0.000 -6.260) 7.318 3.992 ( 1.922 0.000 8.015) 8.242 4.205 ( -1.467 0.000 3.530) 3.822 4.324 ( 4.574 0.000 -5.478) 7.136 4.476 ( 1.236 0.000 -13.371) 13.428 4.488 ( 0.177 0.000 4.682) 4.685 4.690 ( -1.182 0.000 1.974) 2.301 4.697 ( -1.169 0.000 3.699) 3.879 4.953 ( -2.085 0.000 1.229) 2.420 5.025 ( -1.977 0.000 -4.079) 4.532 5.158 ( 0.395 0.000 -12.022) 12.028 5.415 ( -3.474 0.000 4.335) 5.555 6.152 ( -0.011 0.000 -14.870) 14.870 6.383 ( -0.640 0.000 10.626) 10.645 6.441 ( 0.157 0.000 -1.573) 1.580 6.808 ( -1.464 0.000 1.720) 2.258 7.019 ( -4.795 0.000 -1.552) 5.040 7.272 ( 4.097 0.000 -1.387) 4.325 7.395 ( 2.641 0.000 -2.760) 3.820 7.933 ( -2.720 0.000 -0.323) 2.739 7.940 ( -3.344 0.000 -2.728) 4.316 8.406 ( -0.927 0.000 7.950) 8.003 8.579 ( -3.220 0.000 12.232) 12.649 8.747 ( 0.812 0.000 -5.572) 5.630 9.259 ( -0.277 0.000 -9.103) 9.107 9.690 ( -8.630 0.000 17.734) 19.722 10.250 ( 1.734 0.000 -10.324) 10.468 10.312 ( -0.844 0.000 17.535) 17.556 10.667 ( 0.593 0.000 0.951) 1.121 10.832 ( 0.472 0.000 -2.088) 2.141 10.912 ( 1.275 0.000 2.407) 2.724 11.526 ( 2.416 0.000 0.623) 2.495 11.721 ( -2.271 0.000 -3.177) 3.905 11.750 ( 0.168 0.000 5.842) 5.845 12.122 ( 2.553 0.000 -6.588) 7.065 12.413 ( 8.820 0.000 4.393) 9.854 12.611 ( 15.304 0.000 -2.262) 15.470 13.012 ( -0.132 0.000 3.222) 3.224 13.042 ( -1.838 0.000 -3.715) 4.145 13.547 ( -9.328 0.000 0.461) 9.339 13.926 ( -3.980 0.000 -1.327) 4.195 14.434 ( 4.387 0.000 -4.953) 6.617 14.645 ( 1.546 0.000 -8.525) 8.664 14.699 ( -4.842 0.000 11.293) 12.287 15.079 ( 2.130 0.000 -3.308) 3.935 15.638 ( -5.338 0.000 14.080) 15.057 16.381 ( -0.116 0.000 -10.931) 10.931 16.541 ( -0.133 0.000 -13.371) 13.371 16.671 ( -7.690 0.000 3.853) 8.601 16.717 ( 7.225 0.000 2.575) 7.670 17.180 ( 0.535 0.000 -6.361) 6.383 17.315 ( 0.973 0.000 7.111) 7.178 17.923 ( 3.011 0.000 -13.396) 13.730 18.281 ( 0.144 0.000 6.639) 6.640 18.466 ( -0.134 0.000 -1.629) 1.635 18.585 ( -5.117 0.000 12.514) 13.520 18.869 ( -0.006 0.000 -3.427) 3.427 ======================= Grid point 120 (54/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.138 0.000 9.928) 11.672 1.751 ( -10.983 0.000 6.253) 12.638 2.160 ( 6.490 0.000 18.328) 19.444 2.271 ( 7.850 0.000 14.902) 16.843 2.413 ( -2.836 0.000 -1.463) 3.191 2.528 ( -0.448 0.000 -5.392) 5.411 2.756 ( -2.279 0.000 -7.846) 8.170 2.836 ( -14.412 0.000 -2.787) 14.679 3.018 ( 1.352 0.000 -7.913) 8.028 3.061 ( 0.518 0.000 3.522) 3.560 3.158 ( -9.677 0.000 -0.933) 9.722 3.435 ( 14.853 0.000 15.630) 21.562 3.551 ( 5.287 0.000 -8.310) 9.849 3.659 ( 6.587 0.000 -3.321) 7.377 3.799 ( 5.240 0.000 5.352) 7.490 4.023 ( 0.919 0.000 -8.083) 8.135 4.044 ( 0.183 0.000 9.966) 9.968 4.110 ( -6.130 0.000 0.791) 6.181 4.291 ( -4.423 0.000 -3.818) 5.843 4.505 ( 1.915 0.000 -10.387) 10.562 4.535 ( 1.033 0.000 6.738) 6.817 4.678 ( -1.653 0.000 5.056) 5.320 4.701 ( 2.273 0.000 0.778) 2.402 4.932 ( 0.344 0.000 -0.935) 0.996 4.944 ( -3.830 0.000 -4.022) 5.554 5.115 ( -1.001 0.000 -12.832) 12.871 5.407 ( 1.190 0.000 6.611) 6.718 6.035 ( -4.748 0.000 -17.088) 17.736 6.361 ( -3.987 0.000 9.674) 10.463 6.519 ( 5.610 0.000 0.175) 5.613 6.800 ( 0.648 0.000 3.119) 3.186 6.964 ( 0.431 0.000 -2.247) 2.288 7.328 ( 0.753 0.000 0.817) 1.111 7.376 ( -4.216 0.000 -2.339) 4.821 7.904 ( 0.737 0.000 -1.959) 2.093 7.913 ( 2.048 0.000 -2.213) 3.015 8.441 ( 1.785 0.000 7.636) 7.842 8.581 ( -0.024 0.000 13.565) 13.565 8.723 ( -1.350 0.000 -5.953) 6.105 9.238 ( 1.053 0.000 -10.382) 10.435 9.626 ( -2.067 0.000 17.405) 17.527 10.249 ( 1.334 0.000 -11.871) 11.946 10.406 ( 4.160 0.000 18.509) 18.971 10.676 ( -0.461 0.000 0.712) 0.848 10.832 ( -0.022 0.000 -2.106) 2.106 10.861 ( -5.510 0.000 -1.158) 5.630 11.566 ( 1.034 0.000 0.611) 1.201 11.649 ( -2.072 0.000 -3.028) 3.669 11.817 ( 2.622 0.000 6.766) 7.256 12.145 ( 1.448 0.000 -7.025) 7.172 12.583 ( 4.441 0.000 7.482) 8.701 12.883 ( 10.262 0.000 0.221) 10.264 12.940 ( -7.236 0.000 -0.363) 7.245 12.988 ( -2.326 0.000 -7.402) 7.759 13.504 ( 6.031 0.000 4.292) 7.403 13.800 ( -6.022 0.000 -8.420) 10.352 14.308 ( -8.218 0.000 3.559) 8.955 14.627 ( -0.935 0.000 -8.577) 8.628 14.864 ( 10.073 0.000 6.530) 12.004 15.071 ( -1.934 0.000 -3.456) 3.960 15.650 ( 2.767 0.000 15.568) 15.812 16.343 ( 0.057 0.000 -14.233) 14.233 16.464 ( -10.080 0.000 -1.569) 10.202 16.549 ( 4.043 0.000 -8.931) 9.803 16.928 ( 9.489 0.000 4.547) 10.522 17.124 ( -4.122 0.000 -5.887) 7.187 17.326 ( -2.361 0.000 9.354) 9.647 17.911 ( -0.383 0.000 -14.193) 14.198 18.305 ( 0.283 0.000 5.769) 5.776 18.466 ( 0.545 0.000 -1.404) 1.506 18.530 ( -3.153 0.000 13.720) 14.077 18.869 ( 0.954 0.000 -3.565) 3.690 ======================= Grid point 121 (55/100) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -9.800 0.000 19.311) 21.656 1.429 ( -20.387 0.000 6.096) 21.279 2.221 ( -16.868 0.000 24.942) 30.110 2.315 ( -10.544 0.000 0.899) 10.582 2.374 ( 7.177 0.000 16.074) 17.603 2.504 ( 3.418 0.000 -4.777) 5.874 2.609 ( -3.270 0.000 -11.011) 11.486 2.795 ( 7.415 0.000 -1.102) 7.497 2.926 ( -7.454 0.000 -5.871) 9.489 3.135 ( 4.340 0.000 8.516) 9.557 3.147 ( 9.652 0.000 -9.419) 13.486 3.583 ( 0.094 0.000 -5.734) 5.735 3.656 ( 3.792 0.000 14.334) 14.827 3.822 ( 8.308 0.000 -10.953) 13.747 3.920 ( 0.807 0.000 2.454) 2.583 3.970 ( -3.180 0.000 -10.901) 11.355 3.976 ( -3.990 0.000 5.292) 6.627 4.094 ( 0.982 0.000 1.854) 2.098 4.182 ( -4.264 0.000 -2.737) 5.067 4.491 ( -1.073 0.000 -5.510) 5.614 4.512 ( -2.638 0.000 7.294) 7.757 4.689 ( -3.765 0.000 -4.146) 5.600 4.715 ( 2.564 0.000 3.053) 3.987 4.853 ( -2.607 0.000 -2.658) 3.723 4.932 ( -0.803 0.000 0.225) 0.834 5.140 ( 6.582 0.000 -8.560) 10.798 5.484 ( 3.295 0.000 11.186) 11.661 5.927 ( -0.216 0.000 -15.749) 15.751 6.283 ( -5.245 0.000 8.785) 10.232 6.614 ( 2.568 0.000 -1.735) 3.099 6.868 ( 4.524 0.000 5.069) 6.794 7.011 ( 4.086 0.000 -4.160) 5.831 7.229 ( -8.110 0.000 -1.206) 8.199 7.316 ( -1.474 0.000 1.158) 1.874 7.948 ( 3.460 0.000 -2.804) 4.454 7.987 ( 4.235 0.000 -0.958) 4.342 8.494 ( 1.137 0.000 4.079) 4.235 8.658 ( 3.201 0.000 15.413) 15.742 8.676 ( -1.099 0.000 -5.092) 5.209 9.244 ( 2.329 0.000 -12.699) 12.910 9.689 ( 3.288 0.000 15.386) 15.734 10.244 ( 0.889 0.000 -9.708) 9.749 10.579 ( 7.461 0.000 17.019) 18.582 10.628 ( -3.849 0.000 0.327) 3.863 10.753 ( -3.237 0.000 1.320) 3.496 10.821 ( -0.255 0.000 -1.285) 1.310 11.575 ( -0.238 0.000 1.751) 1.767 11.609 ( -1.188 0.000 -2.396) 2.674 11.887 ( 2.553 0.000 3.634) 4.441 12.142 ( 0.198 0.000 -8.016) 8.018 12.533 ( -10.934 0.000 3.579) 11.504 12.851 ( -9.351 0.000 -15.395) 18.013 12.865 ( 1.780 0.000 2.202) 2.831 13.048 ( 5.270 0.000 1.403) 5.453 13.693 ( -0.584 0.000 -6.971) 6.996 13.746 ( 13.096 0.000 4.161) 13.741 14.211 ( -2.597 0.000 10.710) 11.020 14.561 ( -3.273 0.000 -6.404) 7.192 14.996 ( -0.001 0.000 -2.717) 2.717 14.999 ( -3.335 0.000 -2.655) 4.263 15.836 ( 10.448 0.000 13.877) 17.370 16.264 ( -8.092 0.000 -1.373) 8.208 16.312 ( 0.838 0.000 -12.375) 12.404 16.664 ( 7.196 0.000 -4.879) 8.694 17.024 ( -0.822 0.000 -5.475) 5.536 17.066 ( 0.392 0.000 0.075) 0.399 17.297 ( -1.377 0.000 13.077) 13.149 17.823 ( -4.406 0.000 -14.865) 15.504 18.313 ( -1.175 0.000 5.414) 5.540 18.478 ( 0.879 0.000 -1.971) 2.158 18.544 ( 1.050 0.000 13.407) 13.448 18.886 ( 1.358 0.000 -2.993) 3.287 ======================= Grid point 122 (56/100) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -20.216 0.000 11.957) 23.487 1.220 ( -4.520 0.000 26.885) 27.262 1.968 ( -17.595 0.000 -7.947) 19.306 2.007 ( -9.801 0.000 39.471) 40.670 2.449 ( -1.896 0.000 -4.380) 4.773 2.589 ( -0.978 0.000 1.544) 1.828 2.606 ( 6.069 0.000 -5.325) 8.073 2.838 ( 2.588 0.000 -2.174) 3.380 2.961 ( 6.240 0.000 1.947) 6.536 3.258 ( 3.866 0.000 9.644) 10.390 3.348 ( 9.680 0.000 -8.776) 13.066 3.533 ( -2.678 0.000 -8.593) 9.001 3.749 ( 2.522 0.000 8.006) 8.394 3.843 ( -2.157 0.000 -9.927) 10.159 3.851 ( -5.305 0.000 4.072) 6.688 3.909 ( -1.448 0.000 -8.378) 8.502 3.962 ( -0.762 0.000 7.829) 7.866 4.062 ( -3.020 0.000 -3.911) 4.941 4.071 ( -4.381 0.000 -7.453) 8.646 4.464 ( 1.220 0.000 -1.139) 1.669 4.528 ( 1.694 0.000 7.228) 7.424 4.601 ( -1.712 0.000 -8.325) 8.499 4.737 ( -1.320 0.000 5.574) 5.728 4.860 ( 3.077 0.000 0.419) 3.105 4.920 ( 0.148 0.000 0.142) 0.205 5.260 ( 5.260 0.000 -7.410) 9.087 5.575 ( 1.195 0.000 12.262) 12.321 5.946 ( 5.197 0.000 -13.095) 14.089 6.220 ( -2.423 0.000 10.110) 10.396 6.608 ( -1.764 0.000 -3.873) 4.256 6.976 ( 0.590 0.000 4.730) 4.767 7.085 ( 3.719 0.000 -5.677) 6.787 7.085 ( -1.700 0.000 1.013) 1.979 7.290 ( -1.219 0.000 -0.101) 1.224 8.010 ( 2.509 0.000 -2.166) 3.315 8.053 ( 1.777 0.000 0.208) 1.789 8.510 ( -0.518 0.000 2.921) 2.967 8.661 ( 0.945 0.000 -4.216) 4.321 8.758 ( 1.362 0.000 12.333) 12.408 9.260 ( 2.529 0.000 -13.230) 13.470 9.821 ( 4.482 0.000 12.244) 13.039 10.224 ( -0.663 0.000 -5.535) 5.575 10.595 ( 1.246 0.000 3.460) 3.677 10.712 ( -1.811 0.000 2.632) 3.195 10.758 ( 3.260 0.000 -1.054) 3.426 10.879 ( 8.241 0.000 7.285) 10.999 11.586 ( 1.307 0.000 4.406) 4.596 11.591 ( 0.369 0.000 -1.824) 1.861 11.946 ( 2.551 0.000 0.292) 2.567 12.101 ( -3.528 0.000 -11.078) 11.626 12.276 ( -11.665 0.000 -1.026) 11.710 12.433 ( -25.253 0.000 -15.289) 29.521 12.935 ( 2.745 0.000 4.137) 4.965 13.123 ( 1.873 0.000 -0.901) 2.078 13.738 ( 4.935 0.000 -0.728) 4.988 13.990 ( 7.047 0.000 1.516) 7.208 14.243 ( 1.079 0.000 8.904) 8.969 14.472 ( -2.159 0.000 -6.098) 6.469 14.882 ( -6.159 0.000 1.822) 6.423 14.946 ( -0.861 0.000 -0.256) 0.898 16.056 ( -2.966 0.000 9.377) 9.835 16.199 ( 10.938 0.000 3.693) 11.545 16.319 ( 2.605 0.000 -9.276) 9.635 16.706 ( -0.521 0.000 -7.907) 7.925 16.939 ( -10.009 0.000 0.514) 10.022 17.198 ( 16.122 0.000 -5.407) 17.005 17.341 ( 0.423 0.000 10.339) 10.348 17.639 ( -8.428 0.000 -14.092) 16.420 18.292 ( -2.032 0.000 6.374) 6.690 18.488 ( 0.650 0.000 -2.799) 2.873 18.634 ( 3.397 0.000 10.499) 11.035 18.903 ( 0.779 0.000 -2.265) 2.395 ======================= Grid point 123 (57/100) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 9.117 9.817 16.353) 21.140 1.303 ( 0.296 4.529 20.915) 21.402 1.706 ( -7.540 5.548 -8.031) 12.334 2.249 ( 1.166 19.841 33.198) 38.693 2.332 ( -1.940 -2.212 -11.458) 11.829 2.509 ( -3.511 -1.469 1.650) 4.148 2.735 ( 2.607 0.393 -5.607) 6.196 2.830 ( 1.254 -6.351 4.907) 8.123 3.100 ( 1.613 3.248 0.421) 3.651 3.231 ( -1.895 -3.599 2.564) 4.809 3.406 ( 3.397 -5.514 -3.094) 7.177 3.523 ( -1.590 2.294 -5.801) 6.438 3.594 ( -4.723 -7.035 8.108) 11.728 3.693 ( 4.124 -9.615 1.684) 10.597 3.757 ( -4.386 0.358 -8.027) 9.155 3.860 ( -4.728 -4.517 -3.465) 7.400 3.886 ( -0.354 -1.192 -2.461) 2.757 4.020 ( -0.468 7.568 -3.736) 8.453 4.221 ( 3.690 7.341 -0.440) 8.228 4.480 ( -0.844 -5.034 -0.649) 5.146 4.575 ( 1.745 2.510 -1.967) 3.635 4.633 ( 1.919 5.284 -1.360) 5.784 4.828 ( 0.377 5.309 4.547) 7.000 4.852 ( 0.708 -2.809 0.544) 2.948 5.082 ( 4.136 7.002 2.912) 8.638 5.275 ( 1.035 -1.091 -6.671) 6.838 5.635 ( -3.786 4.541 6.344) 8.672 5.970 ( 3.870 -5.976 -7.472) 10.321 6.243 ( 1.924 -0.453 6.281) 6.585 6.467 ( -0.409 -7.552 -4.333) 8.716 6.974 ( -3.800 7.408 2.278) 8.632 7.179 ( 1.538 5.450 -3.613) 6.717 7.275 ( 1.369 8.039 1.181) 8.240 7.379 ( 2.302 10.106 -3.826) 11.048 8.027 ( -0.707 -0.005 -0.268) 0.756 8.069 ( 0.032 0.488 -1.006) 1.118 8.546 ( -2.435 5.397 3.731) 6.998 8.692 ( 1.369 0.875 -1.318) 2.092 8.760 ( -3.646 0.992 8.302) 9.122 9.243 ( 1.550 -3.435 -10.431) 11.090 9.872 ( -0.902 -2.994 10.128) 10.600 10.196 ( 0.624 -1.807 -4.547) 4.932 10.495 ( -7.292 -10.077 13.585) 18.419 10.666 ( 4.792 -2.612 6.792) 8.713 10.857 ( 1.042 5.522 -2.353) 6.092 11.021 ( -5.044 5.821 -8.032) 11.128 11.571 ( -6.930 1.440 3.722) 7.997 11.686 ( 0.376 4.062 -0.332) 4.092 11.744 ( 3.989 -1.122 6.251) 7.500 12.075 ( 0.349 3.588 -7.149) 8.007 12.144 ( 1.461 2.074 -3.186) 4.073 12.210 ( -6.037 4.435 -4.742) 8.865 13.001 ( 1.489 2.371 2.222) 3.574 13.185 ( -2.253 4.384 -4.573) 6.724 13.880 ( 5.580 0.970 3.125) 6.469 14.001 ( -3.904 1.148 -2.184) 4.618 14.244 ( -5.113 3.574 6.461) 8.981 14.523 ( 4.991 2.109 -4.285) 6.908 14.846 ( 2.757 -3.273 5.004) 6.585 15.013 ( 1.166 3.479 -2.057) 4.206 15.938 ( -6.972 0.741 4.378) 8.266 16.351 ( 3.457 -0.774 -7.542) 8.333 16.514 ( 11.434 -0.050 9.847) 15.090 16.681 ( -1.403 0.193 -7.537) 7.669 16.737 ( -5.802 0.771 -1.683) 6.090 17.251 ( -2.196 -4.193 -12.463) 13.331 17.335 ( -5.844 -0.719 0.563) 5.915 17.591 ( 10.738 -4.001 -4.815) 12.429 18.278 ( -1.438 0.689 7.332) 7.503 18.496 ( 0.442 0.730 -2.281) 2.435 18.662 ( -0.661 -3.032 8.721) 9.257 18.892 ( -0.508 -1.396 -3.100) 3.437 ======================= Grid point 124 (58/100) ======================= q-point: ( 0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 9.075 1.963 12.328) 15.433 1.467 ( 18.637 7.655 13.426) 24.212 1.703 ( 6.445 2.630 3.184) 7.655 2.233 ( -3.255 6.567 -3.026) 7.930 2.370 ( 0.388 -0.252 0.123) 0.479 2.548 ( 6.568 4.586 15.349) 17.313 2.716 ( -1.037 -5.604 -2.371) 6.172 2.840 ( -2.856 -0.363 7.433) 7.971 3.023 ( -4.910 -2.445 0.791) 5.541 3.242 ( 0.698 3.329 -4.634) 5.748 3.402 ( -2.428 -7.105 1.512) 7.659 3.430 ( -9.329 -1.540 2.867) 9.881 3.473 ( -1.770 4.296 -6.735) 8.182 3.686 ( -0.531 7.198 -0.581) 7.241 3.775 ( -1.552 -3.463 0.221) 3.801 3.872 ( 3.030 -1.218 -1.607) 3.639 3.903 ( 6.809 -13.790 -0.146) 15.380 4.031 ( 1.475 6.333 -1.873) 6.767 4.320 ( 4.516 2.354 0.630) 5.131 4.456 ( 0.079 -0.516 0.836) 0.985 4.563 ( -0.141 3.269 -8.005) 8.648 4.691 ( 1.517 1.183 0.776) 2.075 4.778 ( -3.061 2.291 -1.874) 4.258 4.892 ( -0.558 -1.925 2.738) 3.393 5.134 ( 0.347 5.526 1.069) 5.639 5.280 ( 1.540 5.283 -8.481) 10.110 5.532 ( -6.211 2.783 4.167) 7.980 6.039 ( 4.169 -7.008 -6.011) 10.130 6.303 ( 1.561 -2.465 6.102) 6.763 6.447 ( -0.695 -4.661 -5.123) 6.960 6.917 ( -2.386 7.463 2.224) 8.144 7.207 ( 2.426 3.308 -2.608) 4.861 7.252 ( -2.871 9.369 -1.717) 9.949 7.433 ( 3.138 9.448 -3.541) 10.567 7.982 ( -3.106 -0.595 0.252) 3.173 8.036 ( -2.986 0.939 -1.395) 3.427 8.495 ( -3.191 5.472 5.848) 8.621 8.674 ( -5.269 2.403 9.535) 11.156 8.725 ( 1.624 0.339 -2.876) 3.320 9.239 ( 0.420 -4.467 -8.568) 9.671 9.812 ( -7.619 -3.252 13.446) 15.793 10.200 ( 0.744 -3.446 -5.798) 6.786 10.349 ( -7.281 -2.998 16.170) 17.985 10.791 ( 3.420 -1.393 3.377) 5.005 10.832 ( -4.688 9.161 -0.871) 10.328 10.873 ( 0.710 5.748 -1.225) 5.920 11.478 ( -0.186 0.715 2.539) 2.645 11.729 ( 0.389 3.516 4.475) 5.704 11.862 ( -0.658 -0.411 -1.962) 2.110 12.030 ( 2.865 2.070 -7.845) 8.605 12.250 ( 8.033 0.649 -0.747) 8.094 12.320 ( 12.958 3.109 -0.851) 13.353 13.025 ( 0.198 2.864 2.329) 3.697 13.121 ( -2.198 2.750 -3.082) 4.679 13.833 ( -10.342 4.867 -2.173) 11.635 13.972 ( 0.950 -0.109 2.460) 2.639 14.241 ( 4.900 0.181 5.980) 7.733 14.610 ( 2.826 0.462 -4.355) 5.212 14.830 ( -6.104 -3.995 1.472) 7.442 15.054 ( 3.482 2.536 -3.223) 5.380 15.791 ( -8.028 2.374 7.215) 11.052 16.390 ( 2.159 -0.173 -7.968) 8.257 16.595 ( -0.934 -0.022 -1.793) 2.022 16.654 ( -2.295 2.631 -2.264) 4.161 16.729 ( 2.388 -1.741 1.159) 3.175 17.156 ( -0.112 -1.957 -11.133) 11.305 17.272 ( -0.982 -1.943 4.808) 5.278 17.783 ( 7.667 -5.953 -9.708) 13.728 18.276 ( -0.654 0.970 7.450) 7.541 18.496 ( 0.119 1.603 -2.198) 2.723 18.633 ( -4.076 -2.575 9.970) 11.075 18.868 ( -0.677 -1.740 -2.909) 3.457 ======================= Grid point 125 (59/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.131 7.880 4.139) 10.274 1.822 ( 6.628 5.045 16.914) 18.854 1.957 ( 13.002 -2.903 9.064) 16.113 2.145 ( -3.759 4.471 4.500) 7.374 2.375 ( 2.442 -3.285 -7.622) 8.652 2.592 ( -3.423 0.058 -1.190) 3.625 2.721 ( 0.697 -7.446 0.539) 7.498 2.946 ( 0.574 -4.004 -3.231) 5.177 2.987 ( 10.229 2.046 13.173) 16.803 3.160 ( -6.775 2.721 -2.536) 7.729 3.205 ( -9.841 -0.741 -3.347) 10.421 3.358 ( -2.824 3.210 3.235) 5.362 3.500 ( 4.070 4.632 -1.505) 6.347 3.666 ( -0.474 6.082 -0.478) 6.119 3.772 ( 0.852 1.253 2.503) 2.927 3.910 ( 2.125 -5.938 1.786) 6.554 4.026 ( 2.791 -4.671 -1.629) 5.680 4.067 ( 1.433 -1.399 0.313) 2.027 4.379 ( 1.187 -4.135 2.728) 5.094 4.491 ( 0.876 6.915 0.446) 6.984 4.561 ( 2.330 6.198 -9.839) 11.860 4.675 ( -2.813 0.517 1.675) 3.314 4.742 ( 1.710 0.042 -2.050) 2.670 4.839 ( -3.700 -3.039 2.608) 5.452 5.120 ( -2.101 4.056 -3.223) 5.590 5.256 ( -1.979 7.996 -8.258) 11.664 5.455 ( -0.991 3.731 2.820) 4.781 6.082 ( 0.977 -6.917 -10.603) 12.698 6.329 ( -1.032 -4.188 7.085) 8.295 6.415 ( -0.397 -1.617 -1.882) 2.512 6.886 ( -0.858 7.720 2.690) 8.220 7.159 ( -3.893 11.457 -2.302) 12.317 7.288 ( 4.629 1.979 -1.518) 5.259 7.476 ( 1.218 7.298 -2.412) 7.783 7.912 ( -3.060 -1.335 -1.250) 3.565 7.946 ( -4.226 -0.041 -0.952) 4.332 8.464 ( -1.236 5.148 8.310) 9.853 8.615 ( -2.482 4.011 9.271) 10.402 8.743 ( 0.529 -0.275 -3.739) 3.786 9.216 ( -0.162 -4.325 -7.128) 8.339 9.683 ( -6.922 -0.360 15.965) 17.405 10.200 ( 1.118 -4.151 -6.003) 7.383 10.324 ( -0.052 0.719 12.775) 12.795 10.752 ( -1.261 6.963 -0.825) 7.124 10.841 ( -0.238 -0.085 -1.976) 1.993 10.922 ( 1.755 1.985 1.710) 3.154 11.514 ( 2.160 -0.998 1.314) 2.719 11.726 ( -2.019 0.182 -1.873) 2.760 11.800 ( -1.309 3.880 3.675) 5.503 12.083 ( 2.560 -1.989 -5.942) 6.769 12.462 ( 9.806 3.526 5.122) 11.611 12.610 ( 13.111 0.516 -0.587) 13.134 13.013 ( -1.507 1.433 -0.804) 2.229 13.110 ( 1.711 5.732 -1.262) 6.114 13.601 ( -9.700 5.084 0.016) 10.952 13.937 ( -3.962 0.709 -2.248) 4.610 14.398 ( 3.694 -3.446 -2.806) 5.779 14.598 ( -1.210 -2.762 1.239) 3.260 14.690 ( -3.534 -1.873 3.851) 5.552 15.123 ( 3.172 3.145 -4.426) 6.288 15.672 ( -4.876 3.701 12.263) 13.706 16.387 ( 0.062 0.571 -10.656) 10.672 16.538 ( -0.847 -0.204 -13.091) 13.120 16.655 ( -7.847 -1.538 0.036) 7.996 16.725 ( 7.488 0.879 3.808) 8.447 17.151 ( 0.155 -2.669 -5.084) 5.744 17.311 ( 1.819 -0.533 5.865) 6.164 17.861 ( 3.030 -5.945 -11.910) 13.652 18.290 ( -0.004 0.988 7.226) 7.293 18.490 ( -0.117 2.029 -1.858) 2.754 18.569 ( -4.417 -1.501 11.708) 12.603 18.853 ( 0.143 -1.525 -3.297) 3.636 ======================= Grid point 126 (60/100) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -6.495 8.009 7.314) 12.642 1.831 ( -11.543 7.669 4.231) 14.490 2.078 ( 6.380 -7.343 16.943) 19.537 2.293 ( 5.706 3.627 14.117) 15.653 2.445 ( 5.335 2.623 -0.722) 5.989 2.555 ( 1.142 2.641 -4.888) 5.672 2.743 ( 0.853 -2.492 -6.893) 7.379 2.885 ( -8.739 -3.213 -6.929) 11.606 2.974 ( -5.114 -0.385 0.154) 5.130 3.005 ( -2.687 -4.529 1.173) 5.395 3.133 ( -5.165 2.066 -1.974) 5.902 3.426 ( 8.481 1.973 4.546) 9.823 3.560 ( -0.624 0.826 9.644) 9.700 3.734 ( 7.955 3.824 -3.388) 9.454 3.861 ( 6.417 2.323 2.092) 7.138 3.930 ( -2.101 -8.940 2.404) 9.493 4.029 ( -0.492 -2.633 -2.489) 3.657 4.072 ( -0.210 3.355 -4.929) 5.966 4.351 ( -5.269 1.687 1.851) 5.834 4.498 ( 1.675 -0.356 3.645) 4.027 4.603 ( 2.113 5.804 -6.081) 8.668 4.612 ( -3.090 1.333 1.594) 3.724 4.786 ( 1.203 -6.190 -5.076) 8.095 4.843 ( 3.427 5.897 6.271) 9.265 5.035 ( -3.329 3.526 -4.619) 6.697 5.165 ( -3.791 4.248 -8.615) 10.326 5.489 ( 2.524 6.943 4.076) 8.437 6.008 ( -3.540 -3.289 -14.894) 15.658 6.304 ( -2.988 -4.170 7.804) 9.339 6.444 ( 2.649 -4.783 0.295) 5.476 6.913 ( 2.820 9.494 3.699) 10.572 7.100 ( -0.543 11.330 -3.114) 11.763 7.358 ( 0.839 2.798 0.516) 2.966 7.439 ( -4.273 6.351 -1.513) 7.803 7.881 ( 1.807 -2.792 -1.507) 3.651 7.901 ( 0.573 -0.487 -2.069) 2.202 8.494 ( 1.637 4.816 8.366) 9.791 8.616 ( -0.054 3.683 10.171) 10.817 8.722 ( -1.297 -0.001 -4.017) 4.221 9.207 ( 1.357 -3.130 -8.051) 8.744 9.634 ( -1.611 0.879 14.893) 15.005 10.208 ( 1.548 -3.917 -9.664) 10.542 10.393 ( 2.527 -1.055 15.863) 16.098 10.715 ( -3.090 1.587 -1.541) 3.800 10.830 ( -0.160 1.854 0.031) 1.861 10.906 ( -2.238 3.823 -2.075) 4.892 11.552 ( 0.552 -1.299 1.415) 1.999 11.673 ( -0.942 1.445 -4.120) 4.466 11.824 ( 0.969 1.006 6.484) 6.632 12.108 ( 1.515 -2.502 -6.071) 6.739 12.635 ( 3.227 4.387 7.506) 9.274 12.811 ( 2.796 -4.033 2.160) 5.362 13.004 ( 3.569 5.981 -1.980) 7.241 13.093 ( -3.326 7.798 -6.317) 10.573 13.540 ( 5.178 3.430 3.279) 7.023 13.801 ( -6.294 -0.250 -8.751) 10.782 14.289 ( -7.442 -1.053 5.027) 9.042 14.610 ( -1.081 -2.010 -7.367) 7.713 14.784 ( 7.794 -5.700 8.904) 13.134 15.143 ( 0.196 4.523 -5.696) 7.276 15.682 ( 2.601 3.543 14.406) 15.062 16.349 ( -0.163 0.572 -13.877) 13.889 16.443 ( -9.091 -1.720 -3.108) 9.761 16.543 ( 3.147 -0.749 -8.974) 9.539 16.928 ( 8.980 0.039 3.911) 9.795 17.098 ( -3.615 -2.307 -5.118) 6.677 17.332 ( -2.086 0.307 7.973) 8.247 17.859 ( 0.088 -5.071 -12.701) 13.676 18.310 ( -0.100 0.623 6.473) 6.504 18.482 ( -0.189 1.247 -0.405) 1.324 18.527 ( -2.250 -0.139 11.459) 11.679 18.857 ( 1.076 -1.238 -3.494) 3.860 ======================= Grid point 127 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -10.169 6.857 15.116) 19.466 1.509 ( -18.620 7.931 4.906) 20.825 2.220 ( -3.451 1.545 17.795) 18.192 2.364 ( 2.140 2.899 12.780) 13.279 2.466 ( -9.849 8.958 0.379) 13.319 2.576 ( -0.598 2.867 -1.176) 3.156 2.617 ( -3.265 0.109 -10.922) 11.400 2.781 ( 2.752 -1.441 1.016) 3.268 2.884 ( -0.458 0.886 -4.526) 4.634 3.068 ( 2.285 -3.755 0.752) 4.459 3.122 ( 8.893 -5.522 -1.101) 10.525 3.543 ( 0.546 -1.566 -1.306) 2.110 3.577 ( 2.176 -2.178 4.807) 5.709 3.839 ( -4.217 -9.262 1.967) 10.365 3.842 ( -0.784 -8.934 3.422) 9.599 3.985 ( 2.523 -1.300 -2.263) 3.630 4.021 ( -1.339 5.115 -8.106) 9.678 4.076 ( 4.389 7.443 -1.973) 8.863 4.237 ( -4.814 4.953 -0.441) 6.921 4.536 ( 0.177 0.348 3.681) 3.702 4.574 ( -4.095 2.047 -2.935) 5.438 4.592 ( 0.966 2.119 0.595) 2.403 4.774 ( 0.140 -2.573 -3.571) 4.403 4.889 ( -1.820 9.315 3.397) 10.081 4.990 ( -0.751 2.586 0.297) 2.709 5.140 ( 4.906 -0.234 -7.741) 9.168 5.566 ( 2.996 7.120 7.351) 10.663 5.911 ( -0.601 -2.131 -14.461) 14.630 6.255 ( -3.493 -1.854 7.762) 8.711 6.492 ( 1.455 -8.129 -0.573) 8.278 7.013 ( 4.833 10.450 3.903) 12.157 7.119 ( 2.819 9.581 -4.982) 11.161 7.262 ( -7.388 3.409 -0.095) 8.137 7.384 ( -1.325 6.507 0.914) 6.703 7.943 ( 3.486 -0.461 -3.020) 4.635 7.964 ( 4.888 -2.168 -0.701) 5.393 8.550 ( 1.264 5.214 4.281) 6.864 8.675 ( 1.805 1.592 12.806) 13.030 8.685 ( -0.068 1.296 -3.027) 3.293 9.222 ( 2.270 -2.229 -10.528) 10.998 9.692 ( 2.976 0.299 13.386) 13.716 10.214 ( 1.420 -3.133 -9.173) 9.796 10.500 ( 2.642 -5.281 16.371) 17.404 10.610 ( -5.056 -2.235 -0.012) 5.528 10.840 ( 0.892 6.759 0.414) 6.830 10.873 ( 0.539 5.012 -0.823) 5.107 11.542 ( -1.453 -2.107 1.369) 2.902 11.663 ( 0.484 3.475 -2.518) 4.318 11.858 ( 0.710 -1.605 4.279) 4.625 12.113 ( 0.652 -2.451 -6.760) 7.220 12.557 ( -11.432 2.309 3.001) 12.043 12.775 ( -4.872 -3.036 -0.984) 5.825 12.963 ( -2.929 6.167 -7.317) 10.007 13.174 ( 6.541 10.248 -2.946) 12.509 13.666 ( 1.985 -1.239 -3.501) 4.211 13.789 ( 10.220 2.596 1.327) 10.628 14.202 ( -2.358 -0.030 9.603) 9.888 14.552 ( -2.586 -1.486 -3.117) 4.314 14.882 ( -0.881 -4.571 1.782) 4.984 15.116 ( -1.314 4.951 -7.429) 9.024 15.856 ( 9.751 2.213 13.228) 16.582 16.250 ( -7.652 -1.126 -2.446) 8.112 16.317 ( 0.767 0.496 -12.279) 12.313 16.654 ( 7.844 -1.235 -5.031) 9.401 16.964 ( -3.330 -3.579 -4.157) 6.417 17.102 ( 2.520 1.329 -2.420) 3.738 17.294 ( -2.023 -0.276 11.672) 11.849 17.787 ( -3.761 -3.529 -13.360) 14.321 18.313 ( -1.365 0.165 6.246) 6.395 18.484 ( 0.471 0.482 -1.067) 1.262 18.543 ( 0.825 0.051 11.581) 11.610 18.876 ( 1.535 -1.079 -3.269) 3.769 ======================= Grid point 128 (62/100) ======================= q-point: (-0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -17.319 10.780 10.233) 22.822 1.295 ( -5.513 7.331 21.072) 22.982 2.024 ( -17.079 5.381 -6.764) 19.142 2.195 ( -6.717 15.334 31.458) 35.635 2.438 ( -4.268 -1.807 -12.385) 13.223 2.550 ( 2.964 -1.547 8.912) 9.518 2.645 ( 2.429 2.090 -5.206) 6.113 2.798 ( 1.095 -0.440 1.938) 2.269 2.990 ( 7.125 2.784 -0.601) 7.673 3.194 ( 6.144 -7.439 3.047) 10.118 3.289 ( 7.067 -6.092 -5.640) 10.902 3.550 ( 0.724 -0.517 3.033) 3.160 3.590 ( -0.996 -4.744 -3.653) 6.069 3.747 ( -4.626 -10.944 3.647) 12.429 3.844 ( -0.276 -4.998 -0.708) 5.055 3.930 ( -3.510 1.584 -6.467) 7.527 3.954 ( -3.232 -4.707 -3.233) 6.562 4.111 ( -6.290 6.454 -0.864) 9.053 4.168 ( 2.559 11.138 -3.261) 11.884 4.478 ( -1.438 0.483 0.595) 1.630 4.554 ( 0.653 0.124 -3.948) 4.003 4.618 ( 0.504 4.365 3.003) 5.323 4.783 ( 1.159 1.953 0.111) 2.274 4.861 ( -0.874 3.851 3.385) 5.202 5.000 ( 1.883 5.171 1.920) 5.829 5.238 ( 4.414 -2.028 -5.705) 7.493 5.639 ( 1.171 5.645 8.379) 10.171 5.915 ( 3.682 -3.731 -11.559) 12.692 6.216 ( -1.592 -0.025 7.613) 7.777 6.494 ( -0.763 -8.772 -2.448) 9.139 7.064 ( -4.137 6.671 2.502) 8.238 7.140 ( 2.471 6.782 -2.319) 7.581 7.210 ( 3.323 9.951 -1.645) 10.619 7.366 ( -0.247 6.932 -0.178) 6.939 8.007 ( 2.658 -0.154 -2.093) 3.387 8.045 ( 2.559 -0.740 -0.404) 2.695 8.568 ( -0.468 5.210 3.075) 6.068 8.674 ( 0.648 1.596 -2.139) 2.746 8.761 ( 1.119 0.701 10.739) 10.820 9.237 ( 1.946 -2.357 -11.529) 11.927 9.807 ( 3.676 -1.311 11.238) 11.897 10.207 ( -0.052 -2.016 -5.953) 6.285 10.543 ( -1.242 -7.065 8.853) 11.395 10.585 ( 0.955 -4.545 8.121) 9.355 10.846 ( 0.591 5.775 -3.118) 6.589 10.967 ( 7.112 6.605 0.455) 9.716 11.528 ( 0.802 -2.567 2.187) 3.467 11.675 ( 1.140 5.072 0.694) 5.244 11.860 ( -2.755 -4.107 2.026) 5.344 12.103 ( 0.267 -1.218 -7.930) 8.027 12.273 ( -13.594 0.971 -2.121) 13.793 12.515 ( -16.550 4.097 -9.504) 19.520 12.956 ( 1.913 3.312 0.330) 3.839 13.225 ( 0.261 7.523 -5.971) 9.608 13.756 ( 5.670 2.218 0.678) 6.126 13.987 ( 5.540 -0.724 1.750) 5.855 14.250 ( 3.210 1.268 7.080) 7.876 14.501 ( -1.158 2.102 -2.761) 3.659 14.816 ( -3.523 -3.029 4.419) 6.413 15.037 ( -2.930 5.435 -4.937) 7.906 16.055 ( -3.422 0.148 7.246) 8.015 16.190 ( 10.559 -0.667 3.291) 11.080 16.328 ( 3.095 0.818 -8.248) 8.847 16.716 ( -0.291 0.842 -8.410) 8.457 16.910 ( -6.507 -2.914 -0.544) 7.150 17.159 ( 9.736 -3.318 -3.571) 10.888 17.341 ( 2.334 -0.328 7.437) 7.802 17.621 ( -7.886 -1.905 -12.777) 15.135 18.294 ( -1.901 0.301 6.886) 7.150 18.491 ( 0.569 0.299 -2.133) 2.227 18.613 ( 2.229 -1.600 10.257) 10.618 18.896 ( 0.954 -1.029 -3.173) 3.469 ======================= Grid point 129 (63/100) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.648 15.177 9.097) 17.771 1.478 ( 1.964 12.923 11.246) 17.243 1.830 ( -5.928 6.065 -5.867) 10.312 2.290 ( -0.773 -1.273 -12.954) 13.039 2.454 ( 0.966 -2.318 4.292) 4.972 2.601 ( -1.191 5.836 8.908) 10.716 2.698 ( -5.501 -1.636 -0.035) 5.740 2.853 ( 1.921 9.520 7.464) 12.249 3.061 ( -1.154 -3.080 5.476) 6.388 3.254 ( 1.955 -0.442 -1.191) 2.331 3.291 ( -1.432 -5.188 0.062) 5.382 3.384 ( 3.364 -9.390 1.490) 10.085 3.411 ( 4.899 -8.876 0.184) 10.140 3.600 ( -0.369 -1.352 -0.445) 1.470 3.741 ( -3.853 -3.125 -0.316) 4.971 3.838 ( -1.788 0.981 2.652) 3.345 3.887 ( -1.115 1.166 0.338) 1.648 4.200 ( 0.851 8.873 -6.420) 10.985 4.250 ( -0.681 -3.448 0.418) 3.540 4.461 ( -0.424 4.091 -4.628) 6.191 4.652 ( 0.157 4.846 2.943) 5.672 4.733 ( -1.262 2.846 0.128) 3.116 4.839 ( 1.177 2.034 -4.716) 5.269 4.911 ( -0.217 3.629 4.402) 5.709 5.201 ( 3.360 4.644 3.333) 6.630 5.266 ( 3.898 0.663 -5.016) 6.387 5.689 ( -4.098 -1.689 1.933) 4.836 5.855 ( 3.136 -3.442 -5.039) 6.861 6.225 ( 0.476 -1.752 3.914) 4.315 6.311 ( 0.271 -7.061 0.074) 7.066 7.159 ( -2.607 10.571 0.570) 10.903 7.320 ( 0.162 7.772 -3.073) 8.359 7.456 ( 0.359 9.032 0.563) 9.057 7.568 ( 3.805 8.174 -3.895) 9.821 8.043 ( -0.902 1.661 -1.256) 2.269 8.079 ( 1.088 0.821 -1.772) 2.236 8.651 ( -1.982 4.409 5.482) 7.309 8.726 ( -1.693 2.230 5.852) 6.488 8.831 ( -0.618 6.546 1.409) 6.725 9.150 ( -0.516 -5.470 -6.479) 8.495 9.809 ( -1.703 -2.842 9.374) 9.942 10.124 ( -0.189 -4.890 -3.935) 6.279 10.376 ( -4.704 -2.732 15.162) 16.108 10.584 ( 4.939 -5.504 5.863) 9.437 10.984 ( -0.446 6.717 -1.281) 6.852 11.126 ( -0.713 4.354 -7.688) 8.864 11.614 ( 4.597 1.939 4.767) 6.901 11.741 ( -5.343 4.082 1.929) 6.995 11.822 ( -0.453 6.530 2.741) 7.096 12.075 ( 2.834 -1.367 -5.673) 6.487 12.180 ( 4.665 2.131 -0.741) 5.181 12.301 ( -9.696 2.519 -5.620) 11.486 13.081 ( 2.243 5.140 0.824) 5.668 13.282 ( -3.395 6.007 -7.696) 10.336 13.897 ( 2.435 0.038 2.927) 3.808 13.995 ( 0.554 -2.558 -1.141) 2.855 14.355 ( -4.851 7.296 5.663) 10.432 14.574 ( 3.312 2.776 -1.441) 4.555 14.793 ( 0.635 -1.673 6.395) 6.641 15.067 ( -0.331 1.567 -3.825) 4.147 15.971 ( -4.893 2.913 0.422) 5.710 16.331 ( 4.094 -1.108 -7.181) 8.340 16.520 ( 10.036 0.873 7.261) 12.418 16.687 ( -2.587 0.516 -8.204) 8.617 16.754 ( -2.356 0.825 -3.614) 4.392 17.146 ( 1.519 -6.168 -8.774) 10.832 17.305 ( -7.120 -2.247 -1.451) 7.606 17.490 ( 6.111 -5.961 -4.472) 9.637 18.303 ( -1.113 1.875 7.979) 8.272 18.514 ( 0.770 0.901 0.247) 1.211 18.604 ( -0.982 -2.509 6.890) 7.398 18.844 ( -0.614 -3.350 -3.800) 5.102 ======================= Grid point 130 (64/100) ======================= q-point: ( 0.17 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 9.499 4.324 11.087) 15.227 1.684 ( 14.712 13.720 7.297) 21.399 1.803 ( 2.595 6.338 0.369) 6.859 2.249 ( 0.481 -1.008 -14.940) 14.982 2.450 ( -3.231 3.657 6.187) 7.880 2.575 ( -3.009 -2.455 6.455) 7.533 2.628 ( -0.128 -1.529 -2.863) 3.248 2.906 ( -1.094 0.614 5.883) 6.015 2.980 ( -2.921 3.836 4.834) 6.828 3.176 ( -7.113 -10.748 3.321) 13.310 3.309 ( 3.162 -2.539 3.527) 5.374 3.438 ( 1.550 4.611 -6.282) 7.945 3.543 ( 0.645 0.841 2.492) 2.708 3.629 ( 5.581 -11.401 -1.753) 12.814 3.695 ( -1.723 -5.365 0.988) 5.721 3.821 ( 1.661 0.716 7.577) 7.790 3.907 ( 3.160 8.237 -3.749) 9.586 4.160 ( -4.972 5.040 2.588) 7.538 4.267 ( 2.746 -1.104 -3.451) 4.546 4.523 ( 6.890 3.755 -5.204) 9.415 4.647 ( -0.427 4.252 1.271) 4.458 4.702 ( -2.289 0.335 0.774) 2.439 4.816 ( -0.980 2.475 -5.483) 6.095 4.908 ( -2.429 2.503 2.622) 4.364 5.220 ( -0.731 3.184 0.093) 3.269 5.372 ( 5.832 3.189 -5.734) 8.778 5.590 ( -5.351 2.030 0.421) 5.738 5.896 ( 1.937 -6.500 -3.349) 7.564 6.245 ( 0.490 -3.206 3.137) 4.512 6.350 ( 2.753 -4.381 0.420) 5.191 7.108 ( -2.253 11.158 1.140) 11.440 7.312 ( 0.446 6.450 -2.438) 6.910 7.447 ( -1.404 9.249 -1.546) 9.482 7.619 ( 2.067 8.410 -4.030) 9.552 7.982 ( -3.949 0.425 -0.792) 4.050 8.055 ( -3.319 1.302 -1.215) 3.767 8.606 ( -3.578 5.232 7.772) 10.029 8.717 ( -0.418 0.804 4.842) 4.926 8.801 ( -2.090 8.130 0.784) 8.431 9.119 ( -0.809 -6.934 -4.358) 8.230 9.760 ( -5.113 -1.621 11.549) 12.734 10.111 ( -0.005 -4.956 -3.646) 6.152 10.332 ( -2.529 0.245 12.220) 12.482 10.707 ( 4.492 -6.189 3.455) 8.392 10.950 ( -2.049 5.096 -1.164) 5.614 11.059 ( -2.699 8.364 -5.006) 10.114 11.526 ( -4.529 4.764 2.500) 7.033 11.767 ( -2.060 -0.447 3.853) 4.391 11.850 ( 2.870 0.960 -0.880) 3.151 12.114 ( -1.656 4.097 -6.964) 8.248 12.248 ( 9.715 0.378 0.284) 9.726 12.398 ( 13.165 3.985 1.684) 13.857 13.120 ( -0.162 6.751 -1.518) 6.922 13.198 ( -0.873 5.258 -3.190) 6.212 13.914 ( -5.385 0.872 -1.407) 5.634 13.968 ( 0.081 -0.157 -0.279) 0.330 14.266 ( -1.704 3.311 7.282) 8.179 14.622 ( 0.063 0.800 -1.578) 1.770 14.755 ( -6.102 -2.918 5.676) 8.829 15.088 ( 3.159 0.440 -3.547) 4.770 15.868 ( -4.961 5.560 2.347) 7.812 16.382 ( 2.871 -0.725 -8.526) 9.026 16.606 ( -0.733 1.109 -5.080) 5.251 16.694 ( 1.912 -1.273 -0.090) 2.299 16.711 ( -2.130 2.889 -2.745) 4.519 17.100 ( -0.589 -3.649 -10.721) 11.341 17.218 ( 0.018 -3.331 4.467) 5.572 17.630 ( 6.460 -9.046 -6.477) 12.865 18.307 ( -0.605 2.065 7.871) 8.160 18.528 ( 0.114 1.036 1.567) 1.882 18.582 ( -2.500 -1.914 5.719) 6.528 18.820 ( -0.435 -2.972 -3.017) 4.257 ======================= Grid point 131 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 10.625 0.651 10.627) 15.042 1.818 ( -1.713 1.699 -0.961) 2.597 2.063 ( 13.784 10.795 9.359) 19.852 2.218 ( -0.869 2.189 -6.017) 6.462 2.411 ( 0.075 6.833 4.605) 8.240 2.559 ( 0.113 -6.095 4.068) 7.329 2.619 ( 0.860 -0.533 -2.193) 2.415 2.829 ( -2.701 -4.584 -6.515) 8.412 2.969 ( -5.779 -9.534 1.343) 11.229 3.099 ( 1.066 5.125 10.515) 11.746 3.354 ( -2.128 9.287 -7.608) 12.192 3.438 ( 2.509 -0.114 5.098) 5.682 3.554 ( -0.324 -1.757 1.447) 2.299 3.638 ( -1.748 -9.431 3.994) 10.390 3.752 ( 4.127 -1.547 3.620) 5.703 3.897 ( 0.983 2.572 1.239) 3.020 3.990 ( 4.888 2.934 -5.780) 8.119 4.077 ( -1.050 3.538 7.323) 8.201 4.319 ( 2.153 -0.410 -3.352) 4.005 4.600 ( -2.010 1.673 0.604) 2.685 4.656 ( 1.842 1.176 -4.168) 4.706 4.685 ( 1.272 2.899 -0.471) 3.201 4.781 ( -1.184 5.528 -3.854) 6.842 4.849 ( -0.905 2.838 3.592) 4.667 5.180 ( -2.676 2.211 -4.792) 5.917 5.402 ( -3.627 5.494 -6.134) 8.998 5.531 ( 2.304 3.134 0.025) 3.890 5.918 ( 1.111 -8.228 -4.841) 9.611 6.254 ( -1.103 -2.832 4.836) 5.712 6.399 ( 1.387 -0.219 -0.556) 1.510 7.082 ( -0.247 11.340 2.382) 11.590 7.350 ( 3.367 4.001 -1.375) 5.407 7.390 ( -2.315 10.887 -2.598) 11.429 7.643 ( 0.959 8.534 -2.707) 9.005 7.882 ( -5.286 -1.676 -1.377) 5.714 7.948 ( -5.150 0.601 -0.481) 5.207 8.569 ( -1.850 4.950 9.927) 11.246 8.722 ( -0.465 2.334 3.195) 3.984 8.764 ( -1.313 6.453 0.311) 6.592 9.102 ( 0.437 -6.460 -2.895) 7.093 9.687 ( -4.266 0.777 11.487) 12.279 10.106 ( 0.628 -5.218 -4.835) 7.141 10.336 ( -0.229 0.631 10.541) 10.562 10.749 ( -1.335 -6.155 -1.546) 6.485 10.917 ( -0.210 5.858 -0.936) 5.936 11.019 ( -0.395 7.221 -1.580) 7.402 11.495 ( 0.124 -0.604 2.138) 2.225 11.713 ( -2.793 -1.624 -1.862) 3.729 11.860 ( -0.243 2.339 2.314) 3.299 12.100 ( 1.008 3.163 -4.694) 5.749 12.508 ( 11.426 1.420 6.381) 13.164 12.659 ( 9.589 4.088 2.137) 10.641 13.080 ( 0.122 5.419 -3.950) 6.707 13.253 ( 4.168 8.367 -0.312) 9.353 13.714 ( -10.124 5.124 -2.022) 11.526 13.935 ( -4.423 -1.374 -3.307) 5.691 14.321 ( 2.629 -3.353 3.102) 5.271 14.579 ( -1.802 0.502 0.239) 1.886 14.633 ( -5.201 -2.710 8.436) 10.274 15.153 ( 3.179 -0.693 -3.284) 4.623 15.792 ( -2.780 8.365 5.269) 10.270 16.395 ( 0.731 -0.069 -10.418) 10.444 16.539 ( -2.760 0.414 -12.607) 12.913 16.619 ( -7.017 -1.842 -4.467) 8.520 16.751 ( 6.535 1.708 2.639) 7.251 17.087 ( 0.144 -3.610 -4.043) 5.422 17.288 ( 3.365 -1.814 4.710) 6.066 17.708 ( 3.110 -9.022 -8.179) 12.568 18.319 ( -0.275 1.857 7.483) 7.715 18.516 ( -2.514 -0.864 8.497) 8.903 18.552 ( -0.709 1.361 -0.159) 1.543 18.813 ( 0.478 -2.459 -2.937) 3.860 ======================= Grid point 132 (66/100) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -7.353 5.608 2.784) 9.658 1.915 ( 2.504 -3.060 2.458) 4.656 2.063 ( -2.248 10.002 8.708) 13.451 2.349 ( 3.977 -1.065 5.288) 6.702 2.515 ( 9.307 4.662 1.687) 10.545 2.582 ( 0.367 -0.039 1.716) 1.755 2.682 ( 3.849 -5.509 0.521) 6.741 2.744 ( -4.357 -1.558 -8.080) 9.311 2.877 ( 0.405 -4.868 1.728) 5.182 3.101 ( -6.207 9.843 2.106) 11.825 3.254 ( -3.840 8.069 -1.635) 9.085 3.449 ( -2.109 -5.005 -0.657) 5.471 3.578 ( 0.228 -3.875 8.125) 9.005 3.628 ( -0.320 -7.205 6.755) 9.881 3.818 ( -3.815 -0.232 -3.991) 5.526 3.873 ( 3.985 1.718 2.323) 4.922 4.084 ( 3.004 -1.689 -0.887) 3.558 4.164 ( 6.534 10.741 0.755) 12.595 4.310 ( -1.396 -3.668 -1.450) 4.184 4.535 ( -3.630 2.063 2.162) 4.702 4.631 ( -3.857 3.736 0.075) 5.370 4.683 ( 1.662 -2.766 -1.811) 3.701 4.809 ( 4.211 8.096 -6.152) 11.006 4.916 ( 2.851 3.413 7.653) 8.851 5.104 ( -1.185 2.970 -9.683) 10.197 5.251 ( -7.702 3.814 -5.333) 10.115 5.621 ( 4.528 5.148 1.333) 6.984 5.902 ( -1.289 -6.442 -8.505) 10.747 6.228 ( -2.200 -3.150 6.461) 7.517 6.404 ( -0.506 0.732 -0.368) 0.963 7.120 ( 2.969 10.571 3.420) 11.500 7.328 ( -0.854 10.031 -4.666) 11.096 7.442 ( 1.173 6.318 2.468) 6.884 7.603 ( -4.138 9.245 -2.513) 10.435 7.811 ( 1.469 -3.853 -0.177) 4.127 7.890 ( 0.329 -0.700 -2.841) 2.945 8.590 ( 1.143 4.262 10.404) 11.301 8.714 ( -1.199 2.423 3.938) 4.777 8.747 ( -0.146 5.991 -0.517) 6.016 9.124 ( 2.221 -4.772 -3.804) 6.494 9.659 ( -0.975 1.562 10.071) 10.238 10.110 ( 1.281 -5.705 -6.712) 8.902 10.373 ( 0.487 -0.877 12.270) 12.311 10.663 ( -5.502 -5.665 -2.259) 8.214 10.941 ( 2.341 7.173 -0.214) 7.548 11.000 ( -1.105 5.701 -2.530) 6.335 11.510 ( -0.173 -2.942 2.758) 4.036 11.670 ( 0.159 -1.895 -4.434) 4.825 11.875 ( 0.331 4.067 5.109) 6.539 12.097 ( -0.115 1.971 -4.930) 5.310 12.692 ( 2.165 -0.461 8.525) 8.807 12.782 ( 1.267 2.297 2.884) 3.899 13.160 ( 7.671 9.152 -2.816) 12.269 13.257 ( -4.113 8.357 -5.447) 10.791 13.622 ( 3.958 4.430 1.311) 6.083 13.777 ( -7.189 -2.158 -7.105) 10.335 14.297 ( -4.185 1.856 5.060) 6.824 14.541 ( -2.732 -4.655 -1.275) 5.546 14.697 ( 7.050 -2.339 10.411) 12.789 15.188 ( 1.084 -0.437 -5.175) 5.305 15.799 ( 2.009 8.157 8.228) 11.758 16.361 ( -0.731 0.448 -12.772) 12.801 16.411 ( -7.775 -1.283 -6.083) 9.955 16.516 ( 1.929 -2.022 -9.857) 10.245 16.930 ( 7.708 0.194 2.087) 7.988 17.048 ( -2.179 -2.412 -4.617) 5.647 17.330 ( -1.300 -0.577 5.998) 6.164 17.727 ( 0.979 -7.921 -9.049) 12.066 18.332 ( -0.641 1.517 7.116) 7.304 18.490 ( -1.874 -0.645 9.049) 9.263 18.544 ( -0.160 1.918 0.161) 1.931 18.822 ( 1.143 -2.261 -3.276) 4.141 ======================= Grid point 133 (67/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -8.707 8.452 7.679) 14.360 1.718 ( -13.391 11.883 1.500) 17.966 2.223 ( 5.215 -2.278 9.509) 11.081 2.356 ( -2.883 -8.171 -1.008) 8.723 2.525 ( -3.574 2.298 -1.362) 4.462 2.656 ( -5.459 6.345 -5.012) 9.756 2.697 ( 4.154 4.564 2.430) 6.632 2.788 ( 7.976 1.266 -2.852) 8.564 2.913 ( -0.862 -1.851 5.038) 5.436 2.969 ( 0.731 -0.625 -0.508) 1.088 3.168 ( -3.958 12.509 5.984) 14.420 3.447 ( 1.357 -14.579 0.477) 14.650 3.559 ( -3.901 0.303 9.405) 10.187 3.648 ( 0.036 -9.487 3.468) 10.101 3.707 ( -2.807 2.146 -7.132) 7.959 3.938 ( -0.071 -2.237 0.285) 2.256 4.043 ( -4.347 -1.822 -2.082) 5.153 4.290 ( -2.065 0.091 1.780) 2.728 4.317 ( 5.985 10.666 -4.072) 12.891 4.491 ( -0.602 -1.044 0.232) 1.227 4.588 ( 0.230 4.429 -2.125) 4.918 4.717 ( 1.637 -1.490 1.747) 2.820 4.816 ( -2.243 11.077 -1.112) 11.357 4.983 ( 1.063 -3.084 5.143) 6.090 5.077 ( -3.105 8.522 0.755) 9.102 5.143 ( 3.472 1.031 -11.127) 11.702 5.704 ( 2.597 5.392 3.129) 6.754 5.828 ( -2.103 -5.815 -10.076) 11.822 6.216 ( -0.773 -3.034 6.309) 7.044 6.379 ( -2.027 -2.271 0.562) 3.096 7.213 ( 4.324 9.264 3.119) 10.689 7.304 ( -2.076 7.229 -3.974) 8.507 7.384 ( -1.841 9.599 -0.363) 9.781 7.547 ( -1.575 9.260 -0.371) 9.400 7.917 ( 6.628 -2.034 -0.198) 6.936 7.933 ( 3.940 -0.538 -3.406) 5.236 8.654 ( 1.408 4.127 6.685) 7.982 8.705 ( -0.342 1.471 6.848) 7.013 8.763 ( 1.688 6.619 -0.011) 6.831 9.160 ( 2.106 -3.762 -5.969) 7.364 9.701 ( 2.114 0.633 9.156) 9.418 10.124 ( 1.822 -5.678 -7.016) 9.208 10.414 ( -0.452 -3.242 14.337) 14.706 10.539 ( -4.957 -4.753 0.925) 6.929 10.975 ( -0.049 6.565 -3.195) 7.301 11.008 ( 3.939 7.938 -0.202) 8.864 11.490 ( -1.846 -3.165 2.070) 4.208 11.696 ( 2.831 -0.989 -2.874) 4.153 11.886 ( -0.863 4.983 4.515) 6.779 12.078 ( -0.057 -0.147 -4.688) 4.691 12.609 ( -10.867 2.421 2.707) 11.458 12.736 ( -6.018 -1.176 1.769) 6.382 13.098 ( -3.984 7.120 -5.433) 9.802 13.376 ( 5.678 9.386 -6.185) 12.593 13.656 ( 3.487 -0.135 -2.189) 4.119 13.817 ( 8.137 0.270 2.652) 8.563 14.244 ( -1.039 4.333 5.046) 6.732 14.498 ( -1.150 -3.154 4.264) 5.427 14.823 ( 1.312 -1.660 3.996) 4.521 15.175 ( -0.548 0.743 -7.788) 7.843 15.930 ( 7.816 5.346 9.870) 13.678 16.233 ( -6.575 -0.304 -5.135) 8.348 16.327 ( 0.784 0.424 -11.974) 12.008 16.608 ( 8.200 -3.436 -5.203) 10.301 16.913 ( -4.790 -1.404 -5.632) 7.526 17.103 ( 3.375 -1.090 -3.785) 5.188 17.288 ( -2.613 -0.248 8.426) 8.826 17.690 ( -2.386 -6.101 -9.796) 11.785 18.326 ( -1.674 1.285 7.284) 7.584 18.490 ( -0.077 0.001 3.934) 3.935 18.551 ( 0.401 0.868 5.070) 5.160 18.840 ( 1.403 -2.582 -3.563) 4.618 ======================= Grid point 134 (68/100) ======================= q-point: (-0.17 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -10.625 15.648 7.573) 20.374 1.500 ( -6.517 12.864 9.329) 17.175 2.081 ( -13.531 -1.476 -7.884) 15.730 2.342 ( -1.602 -0.826 2.298) 2.921 2.468 ( -3.774 2.363 -4.781) 6.533 2.556 ( 2.918 2.638 3.932) 5.563 2.760 ( 0.515 8.908 4.192) 9.858 2.861 ( -4.451 5.100 3.201) 7.488 2.968 ( 7.467 -6.619 2.034) 10.184 3.111 ( 9.770 -4.517 -0.661) 10.784 3.184 ( 4.257 7.003 5.080) 9.642 3.430 ( -4.635 -14.531 3.110) 15.566 3.460 ( -5.260 -7.046 2.794) 9.226 3.619 ( -1.226 -0.745 -2.291) 2.703 3.760 ( 5.673 -1.560 0.802) 5.938 3.861 ( -5.500 -2.914 -1.824) 6.486 3.964 ( -3.792 -1.784 1.115) 4.337 4.226 ( -2.345 4.878 -3.801) 6.614 4.306 ( -3.640 -0.236 -5.181) 6.336 4.500 ( -0.604 6.000 0.281) 6.037 4.616 ( 2.414 6.883 -1.284) 7.406 4.764 ( -2.069 1.924 3.989) 4.888 4.782 ( 3.713 5.111 -1.800) 6.569 4.942 ( -3.150 1.446 1.217) 3.674 5.105 ( 3.327 5.688 4.890) 8.206 5.208 ( 3.775 0.091 -5.983) 7.075 5.742 ( -0.957 1.560 4.168) 4.552 5.801 ( 2.707 -5.322 -9.098) 10.882 6.215 ( -0.776 -1.113 5.093) 5.270 6.333 ( -1.981 -6.330 0.502) 6.652 7.217 ( -3.261 8.655 0.300) 9.254 7.301 ( 2.428 8.321 -1.066) 8.733 7.422 ( 3.412 10.525 -2.470) 11.337 7.521 ( 0.009 7.844 -0.460) 7.858 8.011 ( 3.669 0.826 -2.360) 4.440 8.034 ( 3.880 -0.083 -0.985) 4.004 8.665 ( -0.891 3.901 4.585) 6.085 8.732 ( -0.041 3.133 6.030) 6.795 8.811 ( 1.959 5.280 1.923) 5.952 9.170 ( 0.598 -4.000 -7.241) 8.294 9.777 ( 2.034 -1.443 8.628) 8.981 10.136 ( 0.610 -5.065 -5.486) 7.492 10.417 ( -2.879 -4.423 14.381) 15.319 10.501 ( 0.702 -4.740 5.745) 7.481 10.979 ( 0.917 7.223 -2.164) 7.596 11.101 ( 4.520 6.464 -4.500) 9.081 11.486 ( 2.139 -1.534 3.607) 4.465 11.762 ( 3.567 2.086 0.906) 4.230 11.856 ( -3.065 3.940 2.621) 5.638 12.074 ( 0.806 -0.357 -4.622) 4.705 12.317 ( -14.403 3.240 -2.777) 15.022 12.548 ( -11.128 -0.118 -2.316) 11.367 13.050 ( 0.205 5.178 -1.664) 5.443 13.361 ( -1.913 6.690 -8.901) 11.298 13.813 ( 6.334 1.998 0.619) 6.671 13.947 ( 3.455 -3.182 2.979) 5.562 14.310 ( 5.143 4.813 3.847) 8.026 14.531 ( 2.365 1.183 3.945) 4.749 14.792 ( -3.283 0.455 3.848) 5.079 15.116 ( -2.567 2.123 -6.516) 7.318 16.075 ( -4.208 2.051 1.242) 4.843 16.186 ( 9.733 0.574 2.628) 10.098 16.346 ( 3.951 0.977 -6.325) 7.522 16.731 ( 1.367 0.227 -8.546) 8.658 16.837 ( -1.266 -3.801 -2.772) 4.872 17.087 ( 1.181 -3.759 -3.872) 5.524 17.323 ( 2.601 -1.362 4.250) 5.166 17.562 ( -6.745 -4.079 -10.095) 12.808 18.310 ( -1.654 1.440 7.702) 8.009 18.500 ( 0.430 0.501 0.489) 0.822 18.585 ( 0.670 -1.129 7.533) 7.647 18.854 ( 0.718 -3.144 -3.931) 5.085 ======================= Grid point 135 (69/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.839 15.153 1.527) 15.706 1.779 ( 5.627 16.794 4.344) 18.236 1.909 ( -2.811 1.576 -4.623) 5.636 2.284 ( -0.405 0.295 -6.903) 6.921 2.413 ( -0.196 -0.636 2.692) 2.773 2.602 ( -0.820 -2.248 -2.814) 3.694 2.727 ( -5.312 3.115 4.612) 7.694 2.864 ( 3.302 -2.816 0.737) 4.402 2.975 ( 0.356 -15.490 -0.104) 15.495 3.087 ( -5.687 -12.261 -2.603) 13.764 3.168 ( 1.233 4.625 4.600) 6.638 3.350 ( 3.789 -1.564 5.358) 6.747 3.487 ( 0.546 1.133 -0.145) 1.266 3.577 ( -0.777 1.602 1.967) 2.653 3.667 ( -5.512 -0.386 8.200) 9.888 3.814 ( -1.930 1.083 5.898) 6.300 3.959 ( 6.326 4.105 1.267) 7.647 4.167 ( -0.417 -3.933 -2.953) 4.936 4.337 ( 1.702 4.891 -2.208) 5.630 4.603 ( -2.332 8.946 -6.129) 11.092 4.677 ( -1.379 -2.636 4.964) 5.787 4.818 ( -1.432 7.053 -1.611) 7.375 4.871 ( 0.082 0.751 -3.556) 3.635 5.008 ( 1.794 5.148 -1.303) 5.606 5.254 ( 1.779 0.715 -0.366) 1.952 5.306 ( 3.251 3.032 -2.678) 5.190 5.576 ( 0.200 -6.678 0.533) 6.702 5.810 ( 0.599 -4.219 -5.275) 6.781 6.166 ( -0.093 -2.553 6.184) 6.690 6.229 ( -0.306 -2.186 7.251) 7.580 7.361 ( -1.091 9.176 -2.719) 9.632 7.453 ( -0.191 5.207 -3.313) 6.174 7.601 ( -0.279 5.560 0.327) 5.577 7.685 ( 3.388 3.678 -2.603) 5.637 8.084 ( -1.340 2.395 -1.985) 3.387 8.116 ( 1.874 2.692 -2.275) 3.992 8.719 ( -1.775 2.044 8.423) 8.848 8.769 ( -2.709 1.738 8.426) 9.020 8.950 ( 0.585 3.398 -2.991) 4.564 9.082 ( -1.606 0.607 -2.946) 3.410 9.775 ( -1.227 -0.337 6.760) 6.879 10.021 ( -0.045 -5.520 -2.528) 6.071 10.349 ( -2.101 -0.494 12.020) 12.212 10.469 ( 3.676 -5.604 6.549) 9.370 11.101 ( -1.674 4.814 -1.474) 5.306 11.183 ( -0.699 1.557 -5.434) 5.696 11.647 ( 7.381 1.846 4.991) 9.099 11.798 ( -1.956 -0.361 0.285) 2.010 11.966 ( -1.457 7.851 1.139) 8.065 12.104 ( -2.218 4.964 -4.324) 6.947 12.212 ( 6.212 0.779 -0.525) 6.283 12.312 ( -8.959 -0.794 -3.474) 9.641 13.196 ( 3.628 7.166 3.176) 8.637 13.435 ( -3.606 9.201 -7.668) 12.508 13.844 ( 2.349 -6.902 1.826) 7.516 13.905 ( 0.324 -5.320 0.213) 5.334 14.501 ( -2.819 6.723 4.744) 8.698 14.619 ( 1.457 1.526 2.202) 3.050 14.801 ( -1.388 2.792 6.058) 6.813 15.064 ( -1.251 -1.980 -1.994) 3.076 16.055 ( -2.466 5.380 -3.969) 7.126 16.307 ( 3.648 -1.508 -7.640) 8.599 16.554 ( 8.776 2.714 4.280) 10.134 16.699 ( -1.959 0.429 -7.880) 8.131 16.769 ( 0.515 0.956 -5.504) 5.611 17.018 ( 3.093 -6.643 -6.841) 10.024 17.255 ( -6.891 -2.436 -2.336) 7.673 17.367 ( 1.560 -6.189 -4.492) 7.805 18.349 ( -0.996 2.723 8.202) 8.699 18.512 ( -0.705 -1.618 7.243) 7.455 18.583 ( 0.314 0.855 -0.433) 1.009 18.768 ( -0.242 -4.093 -3.469) 5.371 ======================= Grid point 136 (70/100) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.475 8.904 1.915) 9.438 1.892 ( 1.637 2.029 -2.997) 3.972 1.975 ( 10.531 14.532 5.919) 18.898 2.261 ( 1.647 2.093 -9.477) 9.844 2.466 ( 2.088 1.480 3.142) 4.053 2.564 ( -0.459 -3.732 -2.808) 4.693 2.628 ( -5.440 4.601 6.265) 9.487 2.871 ( -1.660 -6.817 -0.102) 7.017 2.888 ( -6.826 -5.777 -1.618) 9.088 3.098 ( 5.890 -4.811 5.368) 9.308 3.233 ( 2.999 0.003 2.595) 3.965 3.457 ( -0.434 -8.297 5.766) 10.113 3.485 ( 0.537 -6.461 0.940) 6.551 3.555 ( 1.401 -5.487 -0.978) 5.747 3.616 ( -0.160 8.786 8.549) 12.260 3.809 ( -0.609 1.994 5.167) 5.572 4.056 ( 2.621 2.611 -1.857) 4.139 4.209 ( 2.821 1.059 1.464) 3.350 4.340 ( -0.549 7.345 -4.110) 8.435 4.605 ( 3.989 4.302 -4.029) 7.117 4.676 ( 0.520 -0.998 0.601) 1.276 4.748 ( -4.604 3.783 0.327) 5.968 4.870 ( 1.056 4.321 -1.388) 4.660 5.001 ( -2.252 6.266 -1.528) 6.831 5.257 ( -0.775 0.458 -1.872) 2.078 5.380 ( 3.871 -2.876 -5.728) 7.488 5.601 ( 0.663 -0.100 -0.355) 0.758 5.786 ( -0.374 -5.455 -5.057) 7.448 6.199 ( 1.456 -0.840 5.915) 6.149 6.286 ( 3.589 -2.385 6.687) 7.955 7.326 ( -1.326 10.247 -1.891) 10.504 7.431 ( -0.619 5.129 -3.013) 5.980 7.594 ( -0.812 5.513 -0.584) 5.603 7.731 ( 1.609 2.511 -3.170) 4.352 8.001 ( -5.229 1.975 -1.457) 5.776 8.094 ( -3.438 2.238 -2.261) 4.684 8.699 ( -3.372 3.340 10.252) 11.298 8.726 ( -1.902 0.017 7.350) 7.592 8.935 ( -1.113 2.400 -2.258) 3.478 9.040 ( -1.398 2.072 -2.204) 3.332 9.751 ( -2.739 0.785 7.880) 8.380 10.012 ( -0.209 -5.183 -2.245) 5.652 10.345 ( -1.093 1.032 9.674) 9.790 10.568 ( 3.339 -7.323 4.392) 9.168 11.043 ( -2.650 4.137 -1.321) 5.087 11.152 ( -0.881 1.512 -3.851) 4.230 11.653 ( -7.858 6.284 -1.399) 10.159 11.743 ( -1.820 -1.200 1.152) 2.466 11.891 ( -0.217 3.371 0.761) 3.463 12.154 ( -2.749 -0.204 -2.803) 3.931 12.287 ( 12.725 3.763 1.616) 13.368 12.459 ( 13.811 1.792 1.897) 14.055 13.281 ( 0.270 9.291 -1.378) 9.396 13.335 ( -0.360 8.674 -3.329) 9.297 13.864 ( -1.877 -5.041 -0.876) 5.450 13.904 ( 0.231 -6.951 -0.854) 7.007 14.382 ( -7.221 7.198 6.924) 12.325 14.619 ( -2.762 -1.583 0.602) 3.239 14.756 ( -4.722 3.480 7.925) 9.859 15.062 ( 1.305 -3.022 -0.929) 3.420 16.005 ( -1.269 7.974 -3.235) 8.698 16.355 ( 3.000 -2.193 -9.427) 10.133 16.638 ( -0.088 2.030 -6.095) 6.425 16.683 ( 0.526 0.150 -3.755) 3.795 16.768 ( -1.108 2.828 -3.344) 4.518 17.014 ( -0.108 -4.918 -10.680) 11.758 17.158 ( 0.573 -2.092 4.401) 4.906 17.444 ( 5.060 -9.462 -3.405) 11.257 18.352 ( -0.830 2.443 7.892) 8.303 18.504 ( -2.184 -2.522 9.453) 10.024 18.592 ( 0.865 2.049 -2.795) 3.572 18.757 ( 0.146 -3.291 -2.717) 4.270 ======================= Grid point 137 (71/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 5.169 1.474 1.051) 5.477 1.911 ( 0.170 3.352 -3.341) 4.736 2.178 ( 5.146 -0.184 2.253) 5.621 2.320 ( 3.653 6.093 -4.046) 8.176 2.457 ( -1.760 -0.069 -0.336) 1.793 2.550 ( 1.190 -1.084 1.124) 1.964 2.632 ( 2.346 8.328 8.176) 11.904 2.760 ( -1.900 -6.264 0.597) 6.573 2.857 ( -0.888 2.561 -1.752) 3.228 3.233 ( 4.047 5.096 7.532) 9.954 3.321 ( 4.251 -5.610 4.138) 8.165 3.354 ( -6.523 -12.048 3.223) 14.074 3.489 ( -0.380 -0.980 0.848) 1.351 3.643 ( -0.376 7.591 -0.332) 7.608 3.686 ( 6.240 -5.409 4.180) 9.256 3.832 ( 2.558 -3.635 10.222) 11.146 4.052 ( -2.385 1.458 -1.993) 3.433 4.268 ( 2.123 2.541 -0.429) 3.339 4.326 ( 1.235 7.946 -6.953) 10.631 4.623 ( -4.518 1.515 1.449) 4.981 4.655 ( 0.620 1.244 -5.003) 5.192 4.742 ( 3.411 -0.549 1.593) 3.805 4.863 ( -4.530 5.669 5.526) 9.121 4.987 ( 4.503 8.555 -6.678) 11.750 5.203 ( -3.359 -0.259 -2.442) 4.161 5.415 ( -1.161 -4.552 -7.457) 8.813 5.580 ( 1.011 2.564 -3.444) 4.411 5.799 ( 1.790 -4.085 -3.729) 5.814 6.237 ( -0.232 1.297 7.287) 7.405 6.391 ( 3.750 -0.927 3.374) 5.129 7.302 ( -0.622 10.202 -0.436) 10.230 7.433 ( 1.941 4.274 -1.364) 4.889 7.563 ( -0.869 6.118 -2.142) 6.540 7.750 ( 1.160 0.746 -2.095) 2.509 7.873 ( -6.559 2.076 -1.312) 7.004 7.975 ( -6.224 1.884 -1.778) 6.741 8.655 ( -2.672 3.303 11.312) 12.084 8.727 ( -0.393 -0.421 5.510) 5.540 8.902 ( -1.341 3.721 -1.267) 4.153 9.024 ( 0.703 0.700 -2.358) 2.558 9.714 ( -2.565 2.114 7.732) 8.416 10.000 ( -0.210 -5.503 -2.701) 6.134 10.353 ( -0.594 1.172 8.315) 8.418 10.602 ( -1.213 -7.855 1.193) 8.037 11.012 ( 0.494 4.092 -0.879) 4.214 11.131 ( -0.180 2.767 -3.246) 4.269 11.511 ( -4.575 2.461 0.067) 5.195 11.670 ( -3.510 -2.520 -3.543) 5.588 11.918 ( 1.571 3.940 3.748) 5.660 12.149 ( 1.684 0.719 -1.214) 2.197 12.553 ( 9.190 3.655 5.883) 11.508 12.728 ( 9.492 2.032 2.007) 9.913 13.220 ( 0.692 8.376 -5.510) 10.050 13.423 ( 4.311 8.548 0.641) 9.595 13.748 ( -6.823 -2.597 -5.185) 8.954 13.877 ( -3.972 -4.090 -1.111) 5.809 14.307 ( -1.050 2.217 7.862) 8.236 14.529 ( -4.795 -3.971 0.672) 6.262 14.685 ( -3.177 6.350 10.175) 12.407 15.097 ( 1.823 -4.678 0.078) 5.021 15.980 ( -0.380 9.983 -2.965) 10.420 16.374 ( 1.449 -2.292 -10.976) 11.306 16.555 ( -5.142 1.108 -11.469) 12.617 16.592 ( -6.601 -0.793 -7.927) 10.346 16.792 ( 5.593 2.557 -0.035) 6.150 17.014 ( 1.394 -3.735 -4.456) 5.979 17.251 ( 4.487 -1.376 4.625) 6.589 17.525 ( 3.294 -9.221 -3.994) 10.575 18.358 ( -0.597 2.039 7.582) 7.874 18.481 ( -2.377 -2.058 10.520) 10.980 18.597 ( 0.335 2.589 -3.237) 4.158 18.760 ( 0.744 -2.789 -2.535) 3.841 ======================= Grid point 138 (72/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 1.564 1.637 -0.890) 2.433 1.902 ( 1.466 0.970 -3.648) 4.049 2.205 ( -1.261 -1.152 1.220) 2.099 2.284 ( -4.314 -0.354 -1.914) 4.733 2.463 ( 0.929 -8.819 -0.571) 8.886 2.602 ( 1.875 1.439 -4.097) 4.730 2.695 ( 2.948 11.457 8.000) 14.281 2.846 ( 1.873 4.903 -0.345) 5.259 2.879 ( 7.414 5.253 11.355) 14.543 3.175 ( -7.937 -11.437 2.354) 14.119 3.312 ( -1.311 -0.266 -0.024) 1.338 3.417 ( 2.174 -2.099 7.903) 8.461 3.427 ( -4.926 7.593 -3.388) 9.664 3.619 ( -1.313 1.893 7.197) 7.556 3.791 ( 2.003 -3.388 2.638) 4.738 3.924 ( -0.162 -1.953 4.818) 5.201 4.021 ( 2.248 -0.156 -1.360) 2.632 4.211 ( -4.210 -6.515 -3.250) 8.410 4.411 ( 6.801 12.075 -2.213) 14.034 4.575 ( -2.383 1.799 1.154) 3.201 4.625 ( -0.068 -0.159 -3.802) 3.806 4.762 ( -4.726 6.370 2.953) 8.464 4.834 ( 4.255 -1.628 1.532) 4.806 5.081 ( 3.848 9.348 -3.776) 10.791 5.130 ( -1.798 -0.462 -5.750) 6.043 5.293 ( -5.759 0.258 -5.328) 7.850 5.650 ( 4.372 -1.608 -3.529) 5.844 5.802 ( -0.770 -3.679 -5.546) 6.700 6.217 ( -3.523 2.540 9.236) 10.206 6.425 ( -1.193 0.329 1.726) 2.124 7.305 ( 1.282 7.935 1.121) 8.116 7.458 ( -0.292 3.959 -3.588) 5.350 7.607 ( 2.560 8.568 1.465) 9.062 7.717 ( -1.610 -1.026 -0.109) 1.912 7.795 ( 0.429 5.289 -1.940) 5.650 7.874 ( -1.124 -0.783 -3.655) 3.903 8.659 ( 0.065 2.431 10.684) 10.957 8.731 ( -0.633 0.443 5.354) 5.409 8.881 ( -0.080 5.079 -1.284) 5.239 9.056 ( 2.647 -1.163 -2.922) 4.111 9.697 ( -0.741 2.436 6.814) 7.274 9.992 ( 0.438 -6.074 -3.424) 6.986 10.363 ( -0.779 -0.026 9.192) 9.225 10.535 ( -4.616 -6.493 0.538) 7.985 11.055 ( 3.240 4.520 -0.691) 5.604 11.119 ( 0.040 5.162 -4.360) 6.757 11.455 ( -1.725 -1.899 2.610) 3.660 11.610 ( -0.504 -3.857 -4.693) 6.096 11.972 ( 2.135 5.687 5.242) 8.024 12.165 ( -0.449 3.442 -3.064) 4.630 12.672 ( 0.814 -0.042 8.139) 8.180 12.829 ( -0.829 0.873 1.480) 1.908 13.332 ( 9.568 7.463 -3.575) 12.650 13.404 ( -6.260 6.064 -4.886) 9.992 13.689 ( 3.841 1.570 -0.455) 4.174 13.740 ( -6.800 -0.618 -2.893) 7.416 14.330 ( -0.526 0.864 6.138) 6.221 14.456 ( -1.818 -3.557 2.856) 4.911 14.714 ( 3.187 4.396 10.440) 11.768 15.132 ( 1.500 -4.804 -1.275) 5.191 15.982 ( 1.465 9.851 -0.089) 9.960 16.357 ( -0.729 -1.187 -10.958) 11.046 16.397 ( -6.320 -0.083 -9.044) 11.033 16.470 ( -0.199 -2.383 -11.352) 11.601 16.938 ( 5.913 0.646 -0.378) 5.960 17.010 ( -0.146 -1.460 -4.783) 5.003 17.315 ( -0.158 -0.555 4.539) 4.576 17.564 ( 1.645 -8.263 -4.933) 9.763 18.366 ( -0.817 1.876 7.623) 7.893 18.469 ( -1.367 -1.355 10.295) 10.474 18.590 ( -0.192 2.670 -2.399) 3.595 18.770 ( 0.837 -2.923 -2.969) 4.250 ======================= Grid point 139 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.715 8.911 0.120) 9.316 1.895 ( -3.713 4.647 -4.956) 7.743 2.155 ( -5.670 -3.752 -2.172) 7.138 2.233 ( 2.423 -2.428 4.791) 5.892 2.494 ( 1.728 -8.819 -0.341) 8.993 2.605 ( 1.369 0.037 -4.784) 4.976 2.806 ( 4.872 0.088 3.154) 5.804 2.860 ( -9.870 4.015 2.432) 10.930 2.938 ( 4.676 7.743 -1.562) 9.179 3.136 ( -6.707 10.801 4.328) 13.431 3.161 ( -0.221 -8.908 4.525) 9.994 3.397 ( 1.334 2.910 2.766) 4.231 3.462 ( 0.073 -4.085 7.814) 8.818 3.587 ( -4.832 3.771 8.577) 10.542 3.776 ( -2.327 0.207 -0.272) 2.353 3.895 ( -3.103 -2.991 0.748) 4.375 3.971 ( -3.780 -2.547 -4.062) 6.105 4.235 ( 3.575 -5.083 0.268) 6.220 4.435 ( -6.293 3.538 -5.808) 9.265 4.584 ( 6.007 4.431 -2.901) 8.009 4.670 ( 3.169 3.063 4.663) 6.417 4.721 ( 1.053 5.768 0.730) 5.909 4.905 ( 0.874 -3.565 2.285) 4.324 5.006 ( -4.707 6.188 -2.505) 8.168 5.186 ( 4.033 3.753 -8.974) 10.531 5.214 ( -0.512 5.121 0.436) 5.165 5.687 ( -1.943 -5.857 -3.535) 7.111 5.756 ( 0.551 -2.616 -5.651) 6.252 6.171 ( -2.739 0.178 9.860) 10.235 6.363 ( -4.962 -1.052 3.635) 6.240 7.364 ( 3.363 5.957 1.583) 7.021 7.418 ( -1.729 4.566 -3.040) 5.751 7.578 ( -0.415 8.765 -2.172) 9.039 7.713 ( -3.011 6.695 -2.243) 7.676 7.894 ( 8.943 -0.195 0.822) 8.982 7.930 ( 5.414 0.407 -2.970) 6.188 8.710 ( 1.832 1.114 9.256) 9.501 8.732 ( -0.738 1.685 6.152) 6.421 8.894 ( 1.589 5.545 -1.741) 6.025 9.101 ( 2.066 -1.613 -3.685) 4.522 9.721 ( 1.110 1.616 6.016) 6.327 10.003 ( 1.424 -6.438 -3.763) 7.592 10.369 ( -1.454 -1.476 11.250) 11.439 10.441 ( -4.022 -4.651 3.057) 6.866 11.093 ( 0.711 5.281 -2.700) 5.974 11.151 ( 4.043 5.923 -3.820) 8.126 11.433 ( -0.758 -1.989 2.895) 3.593 11.634 ( 3.501 -4.718 -2.294) 6.307 12.017 ( 0.084 7.192 3.433) 7.969 12.120 ( -1.765 3.792 -3.367) 5.369 12.635 ( -6.996 0.325 4.786) 8.483 12.721 ( -8.289 -0.795 1.180) 8.410 13.233 ( -6.186 6.736 -4.302) 10.107 13.530 ( 5.565 5.477 -4.770) 9.150 13.638 ( 1.007 -1.462 -1.839) 2.556 13.812 ( 5.348 -1.005 2.113) 5.838 14.331 ( 0.938 3.582 4.472) 5.806 14.475 ( 2.258 0.967 5.515) 6.037 14.815 ( 2.130 1.324 6.949) 7.387 15.145 ( 0.159 -3.637 -3.795) 5.259 16.059 ( 5.508 7.384 3.981) 10.035 16.242 ( -4.744 1.104 -8.004) 9.370 16.332 ( 0.947 0.027 -11.354) 11.393 16.524 ( 6.951 -4.889 -5.566) 10.159 16.908 ( -4.012 0.841 -6.822) 7.959 17.064 ( 1.858 -2.790 -5.160) 6.153 17.291 ( -1.839 0.838 4.927) 5.325 17.558 ( -1.221 -7.022 -5.918) 9.264 18.362 ( -1.575 2.184 7.939) 8.384 18.481 ( -0.137 -1.007 8.233) 8.295 18.580 ( -0.249 2.090 -0.412) 2.144 18.778 ( 0.714 -3.624 -3.440) 5.048 ======================= Grid point 140 (74/100) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.833 16.025 3.936) 16.743 1.752 ( -5.485 11.311 -2.602) 12.837 2.023 ( -5.732 -2.603 -4.706) 7.860 2.286 ( 0.622 -3.409 2.632) 4.351 2.481 ( -3.377 -1.888 -1.520) 4.157 2.638 ( -4.430 4.686 -6.051) 8.843 2.700 ( 6.147 -9.343 1.265) 11.255 2.883 ( -4.506 -2.397 0.477) 5.127 2.963 ( 2.346 -1.499 -0.712) 2.874 3.071 ( 1.243 2.018 3.845) 4.517 3.196 ( 0.617 -2.109 3.726) 4.325 3.368 ( -6.718 -1.065 5.677) 8.860 3.499 ( -2.663 10.846 5.395) 12.403 3.535 ( 4.267 -4.040 2.759) 6.492 3.744 ( -2.581 -1.130 6.740) 7.305 3.819 ( -1.886 -2.050 5.307) 5.993 3.911 ( -1.758 -0.620 -4.124) 4.525 4.245 ( -3.671 -3.881 -6.124) 8.127 4.312 ( -0.413 3.988 -2.520) 4.736 4.650 ( 1.101 4.461 -4.910) 6.725 4.704 ( -1.963 0.467 6.116) 6.440 4.809 ( 3.792 8.880 1.002) 9.708 4.871 ( -1.010 0.210 -2.655) 2.849 4.974 ( 1.064 2.961 -2.615) 4.091 5.204 ( 1.424 4.333 1.185) 4.712 5.261 ( 2.594 4.400 -2.396) 5.642 5.607 ( -2.750 -8.142 -3.083) 9.131 5.786 ( 2.375 -3.068 -4.208) 5.723 6.159 ( -0.963 -2.399 7.875) 8.289 6.265 ( -4.625 -2.118 5.948) 7.827 7.382 ( -0.430 7.417 -2.625) 7.879 7.439 ( 2.236 5.353 -0.464) 5.820 7.598 ( 2.219 6.994 -3.514) 8.136 7.649 ( -1.528 4.846 -1.110) 5.201 8.042 ( 5.179 2.049 -1.943) 5.899 8.050 ( 4.930 1.771 -0.883) 5.312 8.731 ( -1.287 2.293 7.374) 7.829 8.767 ( 0.692 0.893 8.142) 8.220 8.929 ( 1.943 5.026 -2.519) 5.948 9.112 ( -0.052 -1.007 -3.870) 4.000 9.762 ( 0.778 0.185 5.829) 5.883 10.021 ( 0.976 -6.274 -3.420) 7.212 10.360 ( -2.124 -1.769 11.986) 12.300 10.409 ( -0.178 -4.193 6.842) 8.027 11.108 ( 1.072 5.473 -2.251) 6.014 11.201 ( 1.172 3.227 -5.845) 6.778 11.481 ( 5.169 1.383 4.383) 6.917 11.732 ( 5.547 -4.174 0.857) 6.994 11.978 ( -2.685 7.062 -0.780) 7.595 12.112 ( 1.305 3.238 -1.063) 3.649 12.393 ( -14.314 4.204 -2.505) 15.127 12.531 ( -10.051 -1.254 0.245) 10.132 13.152 ( -0.595 5.926 0.088) 5.956 13.510 ( -1.897 8.381 -6.532) 10.794 13.757 ( 5.681 -7.902 0.536) 9.747 13.888 ( 1.352 -2.938 2.129) 3.872 14.424 ( 5.854 6.154 3.864) 9.332 14.566 ( 3.787 2.279 5.038) 6.702 14.823 ( -2.082 2.655 4.807) 5.873 15.113 ( -2.032 -2.459 -3.557) 4.778 16.133 ( -3.667 3.554 -5.622) 7.595 16.218 ( 7.044 2.264 -0.583) 7.422 16.370 ( 5.675 1.842 -3.148) 6.746 16.685 ( 6.944 -4.968 -3.503) 9.229 16.807 ( -2.655 1.105 -8.391) 8.870 17.011 ( -2.707 -4.062 -6.263) 7.940 17.298 ( 0.722 -0.817 1.706) 2.025 17.467 ( -5.529 -5.304 -7.242) 10.543 18.351 ( -1.403 2.612 8.151) 8.673 18.500 ( -0.059 -0.888 6.292) 6.354 18.579 ( -0.004 0.914 1.112) 1.440 18.779 ( 0.275 -4.296 -3.727) 5.694 ======================= Grid point 141 (75/100) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -3.981 7.880 -3.356) 9.445 1.902 ( -2.217 -1.955 -4.496) 5.380 2.113 ( 7.475 16.318 1.190) 17.988 2.308 ( 1.890 0.765 -2.396) 3.147 2.414 ( 1.948 -0.727 1.531) 2.582 2.493 ( 0.622 -7.508 0.767) 7.573 2.684 ( -2.917 -6.518 -0.612) 7.167 2.739 ( -3.306 -7.990 -0.815) 8.685 2.908 ( 3.163 7.901 1.697) 8.678 3.016 ( -8.076 4.859 -1.765) 9.589 3.187 ( 1.316 -6.330 7.854) 10.173 3.293 ( -1.005 -2.854 4.420) 5.356 3.356 ( -5.618 -2.899 2.722) 6.883 3.477 ( -1.196 -7.146 3.592) 8.087 3.836 ( -1.979 7.748 8.279) 11.510 3.894 ( -0.166 3.019 -1.787) 3.512 4.015 ( 4.379 2.556 1.437) 5.270 4.099 ( 1.507 -3.955 -4.682) 6.311 4.441 ( 2.357 6.958 3.083) 7.967 4.584 ( 0.393 -6.355 4.202) 7.629 4.774 ( -3.270 7.113 -4.139) 8.856 4.861 ( -2.981 -1.715 -2.028) 3.992 4.971 ( 3.389 6.776 -8.254) 11.204 5.058 ( 5.285 -1.096 -7.710) 9.411 5.259 ( -1.906 1.543 1.010) 2.652 5.324 ( -1.557 -2.873 3.045) 4.467 5.532 ( 2.861 3.875 -0.495) 4.842 5.671 ( 0.821 -8.510 -3.254) 9.148 6.158 ( -0.001 1.129 9.253) 9.321 6.190 ( -0.315 -1.889 8.980) 9.182 7.493 ( 0.290 3.885 -5.531) 6.765 7.517 ( 0.175 1.205 -4.894) 5.043 7.683 ( -0.210 3.018 0.454) 3.059 7.717 ( 1.332 -0.244 -0.973) 1.668 8.135 ( -0.505 2.397 -1.588) 2.919 8.156 ( 1.043 0.662 -2.231) 2.550 8.736 ( -2.360 0.424 8.472) 8.805 8.759 ( -2.723 -1.931 8.918) 9.522 9.029 ( -0.167 5.372 -2.569) 5.957 9.105 ( 0.029 -1.080 -3.214) 3.391 9.807 ( -0.500 3.678 4.246) 5.640 9.907 ( 0.071 -5.891 0.588) 5.921 10.350 ( -0.248 0.660 9.497) 9.523 10.383 ( 1.652 -2.930 7.869) 8.558 11.169 ( -1.933 2.229 -2.465) 3.845 11.194 ( -1.543 -0.373 -3.690) 4.017 11.692 ( 5.483 2.714 3.321) 6.961 11.752 ( 2.826 -3.189 1.349) 4.470 12.107 ( 0.908 6.012 -0.319) 6.089 12.192 ( 1.841 -2.062 -1.983) 3.402 12.219 ( -4.170 4.334 -2.596) 6.550 12.284 ( -7.135 -2.078 -2.939) 7.992 13.384 ( 4.400 11.833 4.609) 13.439 13.622 ( -2.930 9.292 -5.390) 11.135 13.636 ( 3.970 -12.755 3.412) 13.787 13.787 ( -1.762 -7.205 -2.328) 7.774 14.601 ( -1.616 3.256 4.941) 6.134 14.633 ( -0.728 -0.221 4.451) 4.516 14.889 ( -1.559 5.429 4.201) 7.040 14.994 ( -1.565 -4.818 1.304) 5.231 16.168 ( 0.003 5.628 -6.805) 8.831 16.260 ( 2.136 -3.513 -7.853) 8.865 16.624 ( 6.671 3.934 0.050) 7.745 16.687 ( 2.018 -2.014 -4.757) 5.546 16.807 ( 1.622 3.165 -6.804) 7.677 16.895 ( 2.783 -5.591 -6.366) 8.918 17.225 ( -5.457 -0.127 -3.247) 6.351 17.263 ( -2.491 -3.906 -4.129) 6.206 18.406 ( -1.247 2.991 8.255) 8.868 18.464 ( -1.435 -2.834 8.404) 8.985 18.623 ( 0.813 2.840 -2.153) 3.655 18.689 ( 0.368 -3.782 -2.740) 4.685 ======================= Grid point 142 (76/100) ======================= q-point: ( 0.17 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -0.553 8.584 -3.068) 9.133 1.877 ( 0.948 -3.263 -2.689) 4.333 2.215 ( 0.774 9.211 -2.144) 9.489 2.312 ( 0.052 1.052 -5.329) 5.432 2.484 ( 3.629 -1.016 1.720) 4.142 2.495 ( 0.217 -2.640 -1.709) 3.153 2.678 ( 3.539 -2.573 3.623) 5.681 2.738 ( -0.154 -2.079 2.846) 3.528 2.874 ( -2.079 6.756 -0.684) 7.102 3.058 ( 8.148 -0.385 4.765) 9.447 3.213 ( -3.748 -10.212 3.488) 11.424 3.289 ( 4.151 -6.049 6.856) 10.042 3.320 ( -0.069 3.056 5.146) 5.985 3.462 ( -0.688 -6.664 5.888) 8.919 3.799 ( -2.715 8.307 7.679) 11.634 3.888 ( -0.715 1.633 0.097) 1.785 4.054 ( 1.176 1.612 -1.881) 2.742 4.159 ( 2.779 -5.706 -3.963) 7.482 4.513 ( 3.065 7.837 -0.986) 8.473 4.621 ( 2.806 -3.364 -1.170) 4.534 4.705 ( -1.979 4.399 -1.930) 5.196 4.769 ( -4.517 -1.470 -1.396) 4.952 5.026 ( 1.790 9.757 -0.268) 9.923 5.113 ( 0.467 3.714 -2.680) 4.604 5.239 ( -0.051 -1.979 -5.008) 5.385 5.270 ( -1.935 -6.909 -0.873) 7.228 5.613 ( 3.691 1.662 -2.377) 4.694 5.677 ( 1.581 -4.889 -4.664) 6.940 6.211 ( 2.448 1.561 8.925) 9.385 6.246 ( 3.188 -1.855 8.938) 9.669 7.480 ( 0.073 4.632 -5.457) 7.158 7.503 ( 0.017 1.836 -4.624) 4.976 7.672 ( -1.339 3.096 0.362) 3.393 7.729 ( -0.216 -2.137 -1.279) 2.500 8.062 ( -5.255 3.642 -1.120) 6.491 8.113 ( -4.217 -0.888 -2.133) 4.808 8.711 ( -2.018 -0.609 8.950) 9.195 8.714 ( -3.426 -1.080 9.865) 10.499 9.006 ( -1.249 5.572 -2.283) 6.150 9.083 ( -1.135 -0.863 -3.257) 3.555 9.800 ( -1.332 4.249 4.881) 6.607 9.904 ( -0.590 -5.708 1.029) 5.830 10.375 ( 0.157 2.256 7.584) 7.914 10.443 ( 1.681 -4.906 6.011) 7.938 11.110 ( -2.432 2.656 -1.722) 3.992 11.149 ( -1.518 -1.297 -2.362) 3.093 11.720 ( -4.775 0.985 -2.943) 5.694 11.729 ( -3.439 -0.351 -1.796) 3.895 11.996 ( -2.718 6.491 1.535) 7.202 12.108 ( -3.137 -4.300 -0.248) 5.328 12.380 ( 13.402 4.929 1.764) 14.389 12.456 ( 13.642 -2.242 1.482) 13.904 13.481 ( 0.184 10.792 0.275) 10.797 13.526 ( -1.169 9.813 -3.518) 10.490 13.715 ( -1.952 -9.964 -2.127) 10.374 13.735 ( 2.017 -8.910 0.892) 9.179 14.506 ( -7.308 4.943 6.030) 10.687 14.577 ( -5.640 -2.585 4.418) 7.616 14.859 ( -2.422 6.099 5.418) 8.510 14.976 ( -0.641 -5.448 2.427) 5.999 16.163 ( 1.118 7.549 -7.191) 10.486 16.287 ( 2.355 -4.876 -9.210) 10.684 16.677 ( 0.152 1.583 -6.361) 6.557 16.690 ( -0.291 0.177 -5.670) 5.680 16.828 ( -0.363 3.511 -5.861) 6.842 16.913 ( 0.227 -5.044 -8.905) 10.237 17.162 ( 1.881 2.916 2.520) 4.289 17.271 ( 3.680 -7.681 -0.538) 8.534 18.401 ( -1.301 2.541 8.107) 8.595 18.452 ( -1.829 -2.632 8.719) 9.289 18.639 ( 1.099 2.602 -2.546) 3.803 18.694 ( 0.751 -3.026 -2.435) 3.956 ======================= Grid point 143 (77/100) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 2.444 7.961 -3.944) 9.215 1.902 ( 1.576 -4.041 -3.829) 5.785 2.179 ( -2.571 1.272 -4.951) 5.722 2.260 ( -3.316 -6.647 -5.204) 9.069 2.510 ( 2.103 3.014 0.616) 3.727 2.609 ( 7.779 -5.378 2.905) 9.893 2.656 ( -2.772 10.030 -0.604) 10.424 2.818 ( 2.238 -1.486 5.021) 5.694 2.921 ( 3.668 8.620 4.697) 10.479 3.131 ( -1.388 -10.267 8.084) 13.141 3.244 ( 1.296 1.812 2.078) 3.047 3.337 ( 1.252 -1.473 8.374) 8.594 3.419 ( 6.766 0.235 5.973) 9.028 3.545 ( 6.460 -7.737 6.115) 11.789 3.787 ( 0.033 6.322 6.613) 9.149 3.863 ( -1.283 1.935 1.893) 2.995 4.042 ( -2.308 1.365 -2.715) 3.816 4.166 ( -1.499 -7.825 -5.856) 9.888 4.552 ( 2.110 9.619 -4.599) 10.869 4.662 ( -3.567 1.183 1.308) 3.979 4.672 ( 0.703 -0.296 -5.704) 5.755 4.704 ( 2.519 -2.585 -1.848) 4.055 4.994 ( -5.241 7.643 8.233) 12.396 5.144 ( -5.364 -6.113 4.201) 9.154 5.150 ( 4.145 7.617 -7.095) 11.205 5.289 ( 1.449 -6.742 -8.499) 10.945 5.641 ( 1.323 3.759 -6.360) 7.505 5.723 ( 2.504 -4.124 -6.204) 7.859 6.292 ( 2.049 3.608 8.864) 9.787 6.356 ( 3.939 -2.616 7.112) 8.541 7.459 ( -1.037 5.323 -4.478) 7.033 7.502 ( 0.938 1.443 -4.045) 4.396 7.636 ( -0.977 2.811 0.287) 2.990 7.708 ( -0.878 -3.694 -0.557) 3.837 7.944 ( -5.036 3.926 -0.443) 6.401 7.994 ( -5.702 -0.665 -1.347) 5.897 8.683 ( -1.964 0.498 10.142) 10.343 8.706 ( -0.755 -1.653 7.940) 8.146 8.975 ( -0.766 5.091 -2.175) 5.589 9.050 ( -0.758 -1.104 -3.600) 3.841 9.780 ( -1.692 4.728 5.025) 7.104 9.888 ( -1.059 -5.806 1.146) 6.012 10.389 ( -0.799 2.660 5.982) 6.595 10.467 ( -0.988 -5.467 3.845) 6.756 11.083 ( 0.711 3.151 -1.134) 3.424 11.134 ( 0.840 -1.723 -1.873) 2.680 11.570 ( -6.370 2.863 -3.925) 8.011 11.620 ( -4.917 -2.447 -4.763) 7.270 12.016 ( 2.309 5.621 4.891) 7.801 12.115 ( 2.426 -3.863 2.968) 5.442 12.645 ( 8.597 4.998 3.473) 10.533 12.724 ( 9.233 -2.437 1.886) 9.733 13.396 ( -1.433 9.200 -5.544) 10.836 13.539 ( -2.075 -1.309 -3.229) 4.055 13.674 ( 1.398 0.800 -1.354) 2.104 13.779 ( -0.062 -6.020 0.459) 6.037 14.379 ( -5.249 4.191 7.791) 10.287 14.456 ( -6.025 -3.600 5.369) 8.837 14.831 ( -1.320 7.889 6.555) 10.341 14.980 ( 0.351 -6.950 3.330) 7.715 16.164 ( 0.986 8.368 -8.411) 11.905 16.300 ( 1.518 -5.306 -10.842) 12.166 16.575 ( -6.756 0.737 -10.378) 12.405 16.584 ( -6.736 -0.262 -10.032) 12.086 16.855 ( 4.937 3.806 -2.769) 6.821 16.936 ( 3.520 -4.199 -4.588) 7.146 17.259 ( 4.396 2.714 3.560) 6.274 17.360 ( 3.740 -7.146 0.100) 8.066 18.399 ( -1.014 2.065 8.160) 8.478 18.440 ( -1.602 -2.098 9.250) 9.619 18.650 ( 0.567 2.732 -2.750) 3.917 18.705 ( 0.757 -2.820 -2.417) 3.791 ======================= Grid point 144 (78/100) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.432 6.020 -4.110) 8.531 1.918 ( 1.491 -0.241 -6.310) 6.489 2.106 ( -1.898 -3.815 -3.352) 5.421 2.173 ( -3.126 -8.915 -5.712) 11.040 2.496 ( -4.071 9.279 3.507) 10.723 2.641 ( 0.110 -0.300 -1.703) 1.733 2.830 ( 1.978 -5.860 2.998) 6.873 2.849 ( 8.943 -3.853 2.361) 10.020 2.969 ( -0.277 11.164 6.604) 12.974 3.087 ( -3.410 0.995 4.909) 6.060 3.277 ( 0.772 2.055 6.688) 7.039 3.381 ( 0.160 -5.702 12.241) 13.505 3.548 ( 0.524 4.605 3.193) 5.629 3.646 ( 0.223 -4.892 2.241) 5.386 3.803 ( 0.434 9.217 2.562) 9.576 3.904 ( 0.971 2.994 5.611) 6.433 3.978 ( 0.404 -5.538 -0.339) 5.563 4.057 ( -5.670 -8.866 -4.432) 11.419 4.565 ( 0.335 3.832 -7.667) 8.578 4.607 ( -2.549 0.123 -3.398) 4.250 4.687 ( 3.774 5.796 -1.527) 7.083 4.780 ( 3.598 -3.488 -1.921) 5.366 4.907 ( -3.540 8.170 5.343) 10.384 5.063 ( -2.177 -6.364 0.957) 6.794 5.222 ( 2.906 4.539 -2.669) 6.014 5.277 ( -0.080 -1.531 -4.257) 4.525 5.643 ( 0.385 2.172 -7.218) 7.548 5.721 ( -0.888 -4.690 -7.193) 8.633 6.306 ( -3.468 5.444 9.084) 11.144 6.397 ( -2.302 -3.248 5.803) 7.037 7.428 ( -0.153 4.645 -2.310) 5.189 7.488 ( -0.899 -1.090 -4.724) 4.931 7.702 ( 5.811 1.121 2.863) 6.574 7.716 ( 2.147 1.074 1.550) 2.858 7.870 ( -0.696 1.859 -2.898) 3.513 7.884 ( -3.901 1.292 -2.717) 4.926 8.686 ( -0.299 1.111 9.248) 9.320 8.718 ( -0.169 -1.780 7.645) 7.851 8.969 ( 0.837 4.830 -2.288) 5.410 9.045 ( 1.308 -1.874 -3.857) 4.483 9.765 ( -0.779 4.652 4.703) 6.661 9.873 ( -0.460 -5.956 0.932) 6.046 10.376 ( -1.836 1.501 6.231) 6.667 10.429 ( -3.150 -4.030 3.529) 6.214 11.129 ( 3.313 3.052 -1.217) 4.666 11.167 ( 2.578 -0.284 -3.179) 4.103 11.459 ( -3.151 2.359 -1.238) 4.126 11.528 ( -2.037 -4.175 -4.289) 6.322 12.091 ( 2.903 5.943 5.141) 8.377 12.180 ( 1.978 -2.328 1.818) 3.555 12.715 ( -1.892 4.157 4.163) 6.180 12.801 ( -2.261 -3.534 1.182) 4.358 13.440 ( 5.235 3.650 -4.094) 7.582 13.474 ( -2.639 0.676 -5.482) 6.121 13.707 ( 0.469 1.446 -0.003) 1.520 13.736 ( -1.925 -0.862 -0.680) 2.216 14.348 ( -0.475 1.601 8.208) 8.376 14.395 ( -0.072 -2.862 5.667) 6.349 14.850 ( 1.187 8.287 6.965) 10.890 15.009 ( 1.413 -7.458 2.860) 8.112 16.166 ( 1.324 8.351 -6.043) 10.393 16.299 ( 0.864 -4.925 -9.046) 10.336 16.406 ( -5.168 0.882 -11.032) 12.215 16.430 ( -3.385 -1.585 -12.020) 12.588 16.958 ( 3.830 1.339 -2.781) 4.919 16.985 ( 1.857 -1.266 -4.481) 5.013 17.328 ( 1.065 2.389 2.582) 3.676 17.416 ( 1.744 -6.342 -0.917) 6.641 18.403 ( -0.802 1.868 8.417) 8.659 18.439 ( -0.929 -1.684 9.431) 9.625 18.647 ( -0.117 3.068 -2.619) 4.036 18.709 ( 0.302 -3.190 -2.719) 4.203 ======================= Grid point 145 (79/100) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 2.068 8.303 -6.379) 10.673 1.949 ( 2.902 2.304 -6.415) 7.408 2.078 ( -2.882 -3.911 -2.676) 5.546 2.140 ( 3.306 -9.011 -0.705) 9.624 2.411 ( -4.124 4.826 3.236) 7.126 2.577 ( -4.782 -7.843 2.197) 9.445 2.804 ( -3.034 4.080 -3.839) 6.371 2.900 ( -2.898 -2.282 0.904) 3.798 3.034 ( 2.111 6.946 2.091) 7.554 3.164 ( 6.292 0.066 6.486) 9.037 3.277 ( -3.111 1.578 7.370) 8.154 3.345 ( -6.263 -0.691 6.723) 9.214 3.472 ( -4.558 4.275 5.989) 8.656 3.611 ( -4.195 -5.937 3.720) 8.166 3.787 ( -2.234 3.094 1.068) 3.963 3.869 ( -2.031 -0.356 0.568) 2.139 3.953 ( -0.241 2.839 -0.882) 2.983 4.103 ( 4.090 -8.027 3.230) 9.571 4.508 ( -4.638 3.319 -6.499) 8.647 4.562 ( 0.805 -2.537 -3.661) 4.527 4.770 ( 3.009 4.274 -2.880) 5.968 4.836 ( 3.042 -1.844 -1.744) 3.962 4.908 ( 1.908 8.918 3.480) 9.761 5.037 ( -1.022 -2.600 -1.070) 2.991 5.266 ( 2.127 2.620 -2.937) 4.474 5.275 ( 0.620 1.238 -0.111) 1.389 5.608 ( -2.610 -0.798 -5.162) 5.839 5.663 ( -1.362 -5.227 -6.326) 8.319 6.225 ( -5.561 4.364 10.226) 12.432 6.312 ( -6.354 -3.946 7.589) 10.655 7.450 ( 2.350 2.872 -1.401) 3.967 7.473 ( 0.934 0.775 -3.512) 3.716 7.712 ( -0.888 4.920 -2.193) 5.459 7.773 ( -2.981 -0.811 -3.414) 4.604 7.918 ( 8.927 2.299 1.253) 9.303 7.943 ( 6.655 0.199 -0.939) 6.724 8.718 ( 0.837 0.571 8.001) 8.065 8.740 ( 0.150 -1.132 7.740) 7.824 8.994 ( 1.868 5.088 -2.409) 5.931 9.074 ( 2.105 -2.404 -3.767) 4.939 9.776 ( 0.440 4.103 4.117) 5.829 9.878 ( 0.674 -6.019 0.542) 6.081 10.354 ( -2.031 -0.056 8.144) 8.394 10.372 ( -2.942 -2.139 5.451) 6.553 11.178 ( 1.457 3.264 -2.820) 4.553 11.214 ( 2.403 0.148 -4.487) 5.093 11.440 ( 1.722 3.056 1.235) 3.719 11.530 ( 3.092 -5.400 -1.576) 6.419 12.140 ( 0.133 4.718 1.954) 5.109 12.180 ( -1.728 0.999 -1.579) 2.545 12.646 ( -5.804 1.347 4.843) 7.678 12.688 ( -7.625 -2.409 1.944) 8.230 13.371 ( -4.888 7.249 -3.668) 9.481 13.507 ( 1.839 -5.892 -3.157) 6.933 13.686 ( -0.356 4.752 -1.316) 4.944 13.768 ( 2.606 -3.330 0.837) 4.311 14.403 ( 4.064 4.017 6.591) 8.724 14.472 ( 4.799 -2.242 4.732) 7.103 14.898 ( 0.934 6.731 5.692) 8.864 15.040 ( 0.458 -6.786 1.189) 6.905 16.197 ( 2.657 5.753 -2.474) 6.803 16.258 ( -1.817 -0.436 -8.178) 8.389 16.342 ( 2.024 1.934 -9.799) 10.192 16.422 ( 5.039 -5.304 -6.531) 9.807 16.942 ( -2.541 2.499 -6.827) 7.701 17.001 ( -0.571 -3.305 -6.165) 7.019 17.331 ( -0.810 3.423 1.362) 3.771 17.426 ( -0.636 -6.035 -2.270) 6.479 18.408 ( -1.039 2.379 8.542) 8.928 18.451 ( -0.434 -1.927 8.967) 9.182 18.633 ( -0.452 3.202 -2.226) 3.926 18.703 ( -0.054 -3.807 -2.975) 4.832 ======================= Grid point 146 (80/100) ======================= q-point: (-0.17 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -1.044 5.141 -7.640) 9.268 1.957 ( 0.499 4.165 -7.975) 9.011 2.006 ( -1.496 8.024 4.182) 9.172 2.238 ( 4.727 -6.507 -0.021) 8.043 2.371 ( 0.129 -1.837 2.421) 3.042 2.505 ( -2.125 -9.453 1.969) 9.887 2.751 ( -1.070 3.868 -1.671) 4.347 2.823 ( -4.862 -2.555 0.617) 5.527 2.957 ( -6.573 6.834 -2.414) 9.784 3.184 ( -6.904 -7.227 0.276) 9.999 3.217 ( -4.119 2.660 4.528) 6.675 3.262 ( 0.261 4.944 7.555) 9.033 3.469 ( 0.508 -4.153 5.312) 6.762 3.496 ( -6.488 -7.185 2.089) 9.903 3.801 ( 2.541 4.433 5.485) 7.497 3.882 ( 3.276 -0.361 1.752) 3.732 3.937 ( -1.607 9.356 0.628) 9.513 4.133 ( -1.121 -8.070 -4.010) 9.081 4.422 ( -1.549 7.406 0.321) 7.573 4.572 ( -0.040 -6.936 3.475) 7.758 4.813 ( 1.977 5.307 -6.017) 8.263 4.874 ( 0.906 -0.453 -1.669) 1.952 4.965 ( 1.667 5.210 -1.913) 5.795 5.001 ( -0.151 0.229 -7.040) 7.046 5.277 ( -0.244 2.698 2.664) 3.799 5.314 ( 1.635 -0.382 0.502) 1.752 5.528 ( -2.284 2.138 -2.501) 4.005 5.656 ( 1.282 -8.536 -3.927) 9.484 6.161 ( -2.859 2.025 9.955) 10.553 6.214 ( -4.361 -2.974 8.869) 10.321 7.488 ( 1.587 3.120 -4.077) 5.374 7.506 ( 2.018 1.303 -2.411) 3.403 7.694 ( 0.088 2.759 -3.094) 4.146 7.708 ( -1.537 1.198 -2.084) 2.854 8.080 ( 5.502 1.537 -0.322) 5.721 8.086 ( 5.843 1.107 -0.862) 6.010 8.747 ( -0.558 0.332 7.410) 7.439 8.764 ( -0.173 -1.147 8.214) 8.296 9.024 ( 1.356 5.130 -2.592) 5.905 9.101 ( 1.234 -1.882 -3.505) 4.165 9.797 ( 0.351 3.609 3.790) 5.245 9.897 ( 0.770 -6.089 0.289) 6.144 10.339 ( -1.362 -0.383 9.389) 9.495 10.350 ( -0.852 -1.653 8.123) 8.333 11.190 ( 0.507 2.911 -3.195) 4.352 11.225 ( -0.091 -0.511 -4.514) 4.544 11.540 ( 6.584 4.201 2.798) 8.296 11.634 ( 6.200 -5.189 1.152) 8.167 12.101 ( -2.049 4.791 -2.014) 5.586 12.151 ( -0.139 -0.060 -1.498) 1.505 12.465 ( -11.674 2.731 -0.819) 12.017 12.504 ( -10.197 -1.506 0.533) 10.321 13.314 ( 0.499 10.663 1.605) 10.794 13.549 ( 2.969 -12.187 1.610) 12.647 13.673 ( -0.702 7.682 -3.599) 8.513 13.805 ( 0.520 -5.561 -0.455) 5.603 14.531 ( 5.352 4.463 5.155) 8.668 14.588 ( 4.005 -0.874 4.347) 5.975 14.907 ( -1.146 5.849 4.159) 7.268 15.028 ( -1.551 -5.756 0.578) 5.989 16.201 ( -0.992 3.059 -8.150) 8.762 16.241 ( 1.950 -0.546 -7.012) 7.299 16.442 ( 8.254 5.560 0.052) 9.953 16.567 ( 8.443 -6.564 -1.252) 10.767 16.853 ( -2.940 3.251 -9.160) 10.154 16.928 ( -3.209 -4.174 -8.193) 9.739 17.305 ( -1.951 1.715 -1.201) 2.862 17.367 ( -4.087 -4.435 -4.316) 7.416 18.408 ( -1.144 3.018 8.408) 9.007 18.464 ( -0.759 -2.515 8.475) 8.873 18.621 ( -0.042 3.074 -1.939) 3.635 18.694 ( 0.011 -4.182 -2.976) 5.133 ======================= Grid point 171 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -11.446 0.000 -15.056) 18.913 1.284 ( 11.446 0.000 15.056) 18.913 1.911 ( -2.708 0.000 -24.649) 24.798 1.911 ( 2.708 0.000 24.649) 24.798 2.588 ( 7.561 0.000 -7.025) 10.321 2.588 ( -7.561 0.000 7.025) 10.321 2.809 ( -4.252 0.000 -22.266) 22.668 2.809 ( 4.252 0.000 22.266) 22.668 3.154 ( -3.434 0.000 -13.613) 14.040 3.154 ( 3.434 0.000 13.613) 14.040 3.401 ( 7.799 0.000 -3.132) 8.405 3.401 ( -7.799 0.000 3.132) 8.405 3.704 ( -7.109 0.000 0.341) 7.117 3.704 ( 7.109 0.000 -0.341) 7.117 3.830 ( 2.606 0.000 -7.754) 8.180 3.830 ( -2.606 0.000 7.754) 8.180 3.903 ( 3.150 0.000 -6.864) 7.552 3.903 ( -3.150 0.000 6.864) 7.552 4.280 ( 0.218 0.000 -13.383) 13.385 4.280 ( -0.218 0.000 13.383) 13.385 4.565 ( -3.874 0.000 -0.519) 3.908 4.565 ( 3.874 0.000 0.519) 3.908 4.900 ( 4.338 0.000 -5.187) 6.761 4.900 ( -4.338 0.000 5.187) 6.761 5.083 ( -3.129 0.000 -10.183) 10.653 5.083 ( 3.129 0.000 10.183) 10.653 5.802 ( 6.040 0.000 -10.785) 12.361 5.802 ( -6.040 0.000 10.785) 12.361 6.430 ( -2.126 0.000 -6.828) 7.151 6.430 ( 2.126 0.000 6.828) 7.151 6.997 ( 4.180 0.000 -6.450) 7.686 6.997 ( -4.180 0.000 6.450) 7.686 7.219 ( -4.262 0.000 -1.296) 4.455 7.219 ( 4.262 0.000 1.296) 4.455 8.042 ( -0.700 0.000 -1.490) 1.646 8.042 ( 0.700 0.000 1.490) 1.646 8.581 ( 2.169 0.000 -5.315) 5.741 8.581 ( -2.169 0.000 5.315) 5.741 9.011 ( 4.276 0.000 -13.014) 13.699 9.011 ( -4.276 0.000 13.014) 13.699 10.092 ( 0.488 0.000 -7.156) 7.173 10.092 ( -0.488 0.000 7.156) 7.173 10.722 ( 1.092 0.000 -2.402) 2.639 10.722 ( -1.092 0.000 2.402) 2.639 10.837 ( -7.211 0.000 -5.917) 9.328 10.837 ( 7.211 0.000 5.917) 9.328 11.627 ( -8.856 0.000 1.208) 8.938 11.627 ( 8.856 0.000 -1.208) 8.938 11.866 ( -6.603 0.000 -4.602) 8.049 11.866 ( 6.603 0.000 4.602) 8.049 12.114 ( 0.414 0.000 -2.330) 2.367 12.114 ( -0.414 0.000 2.330) 2.367 13.074 ( -0.844 0.000 -3.520) 3.620 13.074 ( 0.844 0.000 3.520) 3.620 13.928 ( -7.587 0.000 -2.811) 8.091 13.928 ( 7.587 0.000 2.811) 8.091 14.359 ( 5.010 0.000 -7.300) 8.854 14.359 ( -5.010 0.000 7.300) 8.854 14.955 ( 0.531 0.000 -1.810) 1.886 14.955 ( -0.531 0.000 1.810) 1.886 16.120 ( 5.567 0.000 -11.637) 12.900 16.120 ( -5.567 0.000 11.637) 12.900 16.632 ( -3.865 0.000 0.051) 3.866 16.632 ( 3.865 0.000 -0.051) 3.866 16.900 ( -0.765 0.000 -16.824) 16.841 16.900 ( 0.765 0.000 16.824) 16.841 17.493 ( 6.951 0.000 -7.403) 10.155 17.493 ( -6.951 0.000 7.403) 10.155 18.402 ( 0.821 0.000 -5.173) 5.238 18.402 ( -0.821 0.000 5.173) 5.238 18.834 ( -0.049 0.000 -4.642) 4.643 18.834 ( 0.049 0.000 4.642) 4.643 ======================= Grid point 173 (82/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 9.963 0.000 -11.398) 15.138 1.663 ( 14.313 0.000 1.579) 14.400 1.864 ( 7.732 0.000 -13.990) 15.985 2.071 ( 6.135 0.000 21.284) 22.151 2.468 ( -5.140 0.000 7.379) 8.993 2.688 ( 1.373 0.000 -7.628) 7.751 2.758 ( 6.416 0.000 -18.349) 19.439 2.970 ( 2.911 0.000 5.523) 6.243 2.974 ( -8.420 0.000 -14.987) 17.190 3.173 ( -1.828 0.000 20.060) 20.143 3.186 ( -10.795 0.000 3.146) 11.244 3.453 ( -2.853 0.000 -6.755) 7.333 3.573 ( -4.567 0.000 10.983) 11.894 3.798 ( 1.571 0.000 1.428) 2.123 3.827 ( -1.342 0.000 1.906) 2.332 3.851 ( 1.870 0.000 8.059) 8.273 3.989 ( 6.632 0.000 1.854) 6.886 4.031 ( 9.259 0.000 -7.017) 11.618 4.238 ( -1.086 0.000 -14.059) 14.101 4.332 ( 1.860 0.000 11.394) 11.545 4.504 ( -0.645 0.000 -0.966) 1.161 4.639 ( 2.857 0.000 -3.275) 4.346 4.810 ( -4.437 0.000 4.343) 6.208 4.931 ( -0.667 0.000 -9.715) 9.738 4.983 ( -1.484 0.000 -6.895) 7.053 5.111 ( -3.039 0.000 7.158) 7.777 5.686 ( -7.034 0.000 10.690) 12.796 5.861 ( 2.184 0.000 -13.496) 13.672 6.382 ( -0.397 0.000 -5.797) 5.810 6.506 ( 2.903 0.000 6.124) 6.777 6.940 ( -3.273 0.000 6.984) 7.713 7.081 ( 1.222 0.000 -4.935) 5.084 7.117 ( -0.753 0.000 -1.911) 2.054 7.295 ( 2.980 0.000 -0.467) 3.016 7.992 ( -3.487 0.000 -0.624) 3.543 8.025 ( -2.688 0.000 2.163) 3.451 8.552 ( -1.689 0.000 5.694) 5.939 8.606 ( 1.525 0.000 -5.928) 6.121 8.950 ( -4.592 0.000 15.273) 15.949 9.038 ( 1.424 0.000 -13.005) 13.082 10.060 ( -1.250 0.000 -9.788) 9.867 10.078 ( -3.183 0.000 8.516) 9.091 10.614 ( -7.475 0.000 2.765) 7.970 10.701 ( -0.842 0.000 2.645) 2.776 10.771 ( 1.208 0.000 -2.766) 3.018 10.929 ( 0.352 0.000 2.352) 2.378 11.533 ( -0.999 0.000 3.159) 3.314 11.698 ( -3.166 0.000 -5.709) 6.528 11.861 ( 4.557 0.000 9.512) 10.547 11.974 ( 2.293 0.000 -2.034) 3.065 12.256 ( 12.836 0.000 3.964) 13.434 12.262 ( 13.177 0.000 -0.346) 13.182 13.026 ( -2.587 0.000 -3.977) 4.744 13.082 ( -0.761 0.000 3.014) 3.108 13.743 ( -8.659 0.000 -1.109) 8.730 14.005 ( -2.722 0.000 0.350) 2.745 14.341 ( 2.913 0.000 5.226) 5.983 14.431 ( 2.771 0.000 -9.129) 9.541 14.923 ( -2.541 0.000 2.619) 3.649 14.961 ( 2.015 0.000 -3.960) 4.443 16.035 ( -5.572 0.000 14.945) 15.950 16.198 ( 4.103 0.000 -7.710) 8.733 16.405 ( -11.552 0.000 -11.296) 16.157 16.643 ( 1.231 0.000 -0.069) 1.233 16.972 ( -4.493 0.000 13.910) 14.618 16.988 ( 7.816 0.000 -5.100) 9.332 17.419 ( 0.854 0.000 7.284) 7.334 17.587 ( 4.004 0.000 -12.394) 13.024 18.402 ( -0.501 0.000 5.350) 5.374 18.407 ( 0.880 0.000 -4.342) 4.430 18.800 ( -1.436 0.000 -5.625) 5.805 18.825 ( -2.058 0.000 5.382) 5.762 ======================= Grid point 174 (83/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 12.760 0.000 -1.091) 12.807 1.740 ( 1.965 0.000 -17.697) 17.805 2.188 ( 14.244 0.000 8.524) 16.599 2.286 ( 9.208 0.000 13.374) 16.238 2.432 ( 0.564 0.000 5.675) 5.703 2.669 ( -3.586 0.000 -1.059) 3.739 2.698 ( -9.402 0.000 -9.995) 13.722 2.838 ( -10.317 0.000 -5.997) 11.933 2.907 ( 8.517 0.000 -13.337) 15.825 3.075 ( 2.160 0.000 -6.209) 6.574 3.279 ( -6.425 0.000 -3.063) 7.118 3.354 ( 2.768 0.000 12.983) 13.275 3.517 ( -3.251 0.000 18.507) 18.790 3.803 ( -2.543 0.000 4.790) 5.423 3.822 ( 0.871 0.000 2.832) 2.963 3.901 ( 1.174 0.000 -0.329) 1.219 4.109 ( 3.672 0.000 4.251) 5.617 4.172 ( 0.275 0.000 -12.437) 12.440 4.197 ( 6.495 0.000 -8.099) 10.382 4.355 ( -3.115 0.000 7.821) 8.419 4.564 ( 4.519 0.000 4.509) 6.384 4.660 ( 0.797 0.000 -5.033) 5.095 4.786 ( 1.897 0.000 4.867) 5.223 4.862 ( -1.694 0.000 -10.684) 10.818 4.964 ( -0.595 0.000 -3.793) 3.840 5.010 ( -7.296 0.000 3.668) 8.166 5.608 ( -2.415 0.000 13.151) 13.371 5.803 ( -3.356 0.000 -17.013) 17.341 6.404 ( 3.728 0.000 -2.898) 4.722 6.552 ( -0.744 0.000 4.809) 4.866 6.895 ( -2.449 0.000 6.003) 6.483 6.967 ( -5.026 0.000 -3.714) 6.250 7.236 ( 6.762 0.000 -1.541) 6.935 7.349 ( 2.182 0.000 -1.841) 2.855 7.909 ( -3.562 0.000 0.279) 3.573 7.950 ( -4.428 0.000 1.833) 4.792 8.550 ( -0.035 0.000 6.515) 6.515 8.608 ( 0.270 0.000 -6.756) 6.762 8.918 ( -2.502 0.000 17.136) 17.318 9.000 ( -0.894 0.000 -15.072) 15.098 9.999 ( -0.895 0.000 -13.362) 13.392 10.011 ( -5.007 0.000 12.716) 13.667 10.571 ( 1.665 0.000 6.812) 7.013 10.698 ( -0.453 0.000 1.414) 1.484 10.788 ( 1.000 0.000 -1.980) 2.218 10.891 ( -3.058 0.000 -4.623) 5.543 11.555 ( 1.534 0.000 2.165) 2.654 11.630 ( -1.809 0.000 -3.556) 3.989 11.944 ( 1.305 0.000 10.118) 10.202 11.991 ( 0.820 0.000 -5.735) 5.794 12.564 ( 11.982 0.000 10.435) 15.889 12.579 ( 15.281 0.000 -1.244) 15.331 12.948 ( -3.523 0.000 -4.912) 6.045 13.056 ( -2.977 0.000 0.812) 3.085 13.585 ( -5.022 0.000 3.262) 5.989 13.845 ( -10.118 0.000 -5.041) 11.304 14.429 ( 1.894 0.000 4.445) 4.832 14.434 ( 1.122 0.000 -10.575) 10.635 14.914 ( 1.393 0.000 6.887) 7.026 15.011 ( 2.073 0.000 -2.792) 3.477 15.982 ( -3.320 0.000 17.259) 17.575 16.128 ( -6.727 0.000 -12.915) 14.562 16.313 ( 5.174 0.000 -7.059) 8.752 16.639 ( -6.050 0.000 -1.371) 6.203 16.888 ( 1.020 0.000 7.804) 7.870 17.087 ( 1.300 0.000 -2.348) 2.684 17.520 ( 3.343 0.000 12.471) 12.911 17.604 ( 1.864 0.000 -15.461) 15.573 18.408 ( -0.327 0.000 4.730) 4.741 18.412 ( 0.621 0.000 -3.600) 3.653 18.759 ( -0.343 0.000 -7.256) 7.264 18.787 ( -2.856 0.000 6.738) 7.318 ======================= Grid point 175 (84/100) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -3.911 0.000 -9.505) 10.278 1.691 ( 3.911 0.000 9.505) 10.278 2.413 ( -4.984 0.000 -3.305) 5.980 2.413 ( 4.984 0.000 3.305) 5.980 2.525 ( -3.988 0.000 -12.333) 12.962 2.525 ( 3.988 0.000 12.333) 12.962 2.614 ( -4.847 0.000 -13.490) 14.334 2.614 ( 4.847 0.000 13.490) 14.334 3.102 ( -9.241 0.000 2.311) 9.526 3.102 ( 9.241 0.000 -2.311) 9.526 3.210 ( 12.362 0.000 -12.951) 17.904 3.210 ( -12.362 0.000 12.951) 17.904 3.689 ( -8.503 0.000 -4.512) 9.626 3.689 ( 8.503 0.000 4.512) 9.626 3.875 ( -2.411 0.000 -4.182) 4.827 3.875 ( 2.411 0.000 4.182) 4.827 4.168 ( 0.010 0.000 -6.540) 6.540 4.168 ( -0.010 0.000 6.540) 6.540 4.277 ( 4.948 0.000 -10.052) 11.204 4.277 ( -4.948 0.000 10.052) 11.204 4.653 ( -1.578 0.000 -4.872) 5.121 4.653 ( 1.578 0.000 4.872) 5.121 4.843 ( 2.931 0.000 -10.724) 11.117 4.843 ( -2.931 0.000 10.724) 11.117 4.914 ( -2.318 0.000 0.135) 2.322 4.914 ( 2.318 0.000 -0.135) 2.322 5.669 ( -3.623 0.000 -16.342) 16.739 5.669 ( 3.623 0.000 16.342) 16.739 6.497 ( 4.814 0.000 -2.962) 5.653 6.497 ( -4.814 0.000 2.962) 5.653 6.889 ( -0.966 0.000 -4.647) 4.747 6.889 ( 0.966 0.000 4.647) 4.747 7.345 ( -2.787 0.000 -0.911) 2.932 7.345 ( 2.787 0.000 0.911) 2.932 7.881 ( -1.434 0.000 0.230) 1.452 7.881 ( 1.434 0.000 -0.230) 1.452 8.581 ( -0.808 0.000 -6.970) 7.017 8.581 ( 0.808 0.000 6.970) 7.017 8.941 ( -0.026 0.000 -16.981) 16.981 8.941 ( 0.026 0.000 16.981) 16.981 9.970 ( 2.145 0.000 -14.668) 14.824 9.970 ( -2.145 0.000 14.668) 14.824 10.659 ( -3.348 0.000 -4.740) 5.804 10.659 ( 3.348 0.000 4.740) 5.804 10.815 ( -2.218 0.000 -1.585) 2.726 10.815 ( 2.218 0.000 1.585) 2.726 11.592 ( -1.325 0.000 -1.998) 2.398 11.592 ( 1.325 0.000 1.998) 2.398 11.982 ( 0.072 0.000 -8.128) 8.128 11.982 ( -0.072 0.000 8.128) 8.128 12.769 ( -2.572 0.000 -9.464) 9.807 12.769 ( 2.572 0.000 9.464) 9.807 12.926 ( -7.226 0.000 -0.664) 7.256 12.926 ( 7.226 0.000 0.664) 7.256 13.622 ( -7.101 0.000 -7.105) 10.045 13.622 ( 7.101 0.000 7.105) 10.045 14.439 ( 1.655 0.000 -8.280) 8.444 14.439 ( -1.655 0.000 8.280) 8.444 14.992 ( -2.784 0.000 -4.707) 5.469 14.992 ( 2.784 0.000 4.707) 5.469 16.003 ( -1.012 0.000 -17.100) 17.130 16.003 ( 1.012 0.000 17.100) 17.130 16.449 ( -8.705 0.000 1.134) 8.779 16.449 ( 8.705 0.000 -1.134) 8.779 17.019 ( -6.061 0.000 -4.244) 7.399 17.019 ( 6.061 0.000 4.244) 7.399 17.589 ( 0.334 0.000 -14.800) 14.804 17.589 ( -0.334 0.000 14.800) 14.804 18.413 ( 0.397 0.000 -3.823) 3.844 18.413 ( -0.397 0.000 3.823) 3.844 18.754 ( 1.807 0.000 -7.641) 7.852 18.754 ( -1.807 0.000 7.641) 7.852 ======================= Grid point 179 (85/100) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -9.600 5.089 -12.914) 16.877 1.335 ( 9.600 5.089 12.914) 16.877 1.908 ( -1.640 0.506 -21.813) 21.880 1.908 ( 1.640 0.506 21.813) 21.880 2.608 ( 3.287 -0.242 -4.620) 5.675 2.608 ( -3.287 -0.242 4.620) 5.675 2.828 ( -1.245 2.645 -13.595) 13.905 2.828 ( 1.245 2.645 13.595) 13.905 3.178 ( -5.380 1.264 -9.781) 11.234 3.178 ( 5.380 1.264 9.781) 11.234 3.373 ( -6.244 0.187 -3.246) 7.040 3.373 ( 6.244 0.187 3.246) 7.040 3.644 ( -5.616 -7.735 -2.175) 9.803 3.644 ( 5.616 -7.735 2.175) 9.803 3.800 ( -2.338 -4.938 -0.121) 5.464 3.800 ( 2.338 -4.938 0.121) 5.464 3.910 ( 3.027 5.306 -7.037) 9.319 3.910 ( -3.027 5.306 7.037) 9.319 4.324 ( -0.982 2.938 -8.783) 9.314 4.324 ( 0.982 2.938 8.783) 9.314 4.603 ( -2.459 2.952 -1.290) 4.053 4.603 ( 2.459 2.952 1.290) 4.053 4.889 ( 4.076 0.172 -2.826) 4.963 4.889 ( -4.076 0.172 2.826) 4.963 5.142 ( -2.823 4.281 -5.612) 7.602 5.142 ( 2.823 4.281 5.612) 7.602 5.791 ( 5.734 -1.186 -8.116) 10.008 5.791 ( -5.734 -1.186 8.116) 10.008 6.370 ( -1.445 -4.700 -4.994) 7.008 6.370 ( 1.445 -4.700 4.994) 7.008 7.066 ( 2.968 6.593 -5.834) 9.291 7.066 ( -2.968 6.593 5.834) 9.291 7.316 ( -1.924 8.427 -2.137) 8.904 7.316 ( 1.924 8.427 2.137) 8.904 8.041 ( -0.500 -0.045 -1.336) 1.427 8.041 ( 0.500 -0.045 1.336) 1.427 8.624 ( 1.834 4.322 -3.841) 6.066 8.624 ( -1.834 4.322 3.841) 6.066 8.997 ( 3.617 -1.238 -12.213) 12.798 8.997 ( -3.617 -1.238 12.213) 12.798 10.066 ( 0.533 -2.562 -7.756) 8.186 10.066 ( -0.533 -2.562 7.756) 8.186 10.694 ( 4.012 -3.466 -5.386) 7.558 10.694 ( -4.012 -3.466 5.386) 7.558 10.877 ( -3.616 4.747 -5.289) 7.975 10.877 ( 3.616 4.747 5.289) 7.975 11.646 ( -5.503 2.158 -1.796) 6.178 11.646 ( 5.503 2.158 1.796) 6.178 11.899 ( -2.762 2.288 -8.238) 8.984 11.899 ( 2.762 2.288 8.238) 8.984 12.139 ( -3.580 2.634 -1.920) 4.841 12.139 ( 3.580 2.634 1.920) 4.841 13.085 ( -1.446 1.467 -4.809) 5.232 13.085 ( 1.446 1.467 4.809) 5.232 13.946 ( -5.767 1.348 -2.972) 6.626 13.946 ( 5.767 1.348 2.972) 6.626 14.394 ( 4.416 3.480 -7.089) 9.048 14.394 ( -4.416 3.480 7.089) 9.048 14.950 ( 0.598 -0.432 -4.194) 4.258 14.950 ( -0.598 -0.432 4.194) 4.258 16.113 ( 5.414 -0.581 -11.600) 12.815 16.113 ( -5.414 -0.581 11.600) 12.815 16.625 ( -4.513 -0.631 -0.354) 4.571 16.625 ( 4.513 -0.631 0.354) 4.571 16.889 ( -1.424 -1.042 -15.769) 15.868 16.889 ( 1.424 -1.042 15.769) 15.868 17.464 ( 6.639 -2.886 -6.754) 9.900 17.464 ( -6.639 -2.886 6.754) 9.900 18.413 ( 0.830 1.119 -5.264) 5.446 18.413 ( -0.830 1.119 5.264) 5.446 18.809 ( 0.011 -2.378 -5.141) 5.664 18.809 ( -0.011 -2.378 5.141) 5.664 ======================= Grid point 181 (86/100) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 9.844 7.706 -10.078) 16.057 1.676 ( 13.579 0.809 -2.618) 13.853 1.903 ( 9.495 3.684 -7.356) 12.563 2.051 ( 6.018 -1.437 19.766) 20.712 2.499 ( -6.589 2.835 6.602) 9.749 2.631 ( -0.025 -4.118 -4.642) 6.205 2.786 ( 1.065 -0.407 -4.723) 4.858 2.946 ( 0.939 0.313 -7.290) 7.357 3.006 ( -6.234 0.964 -2.252) 6.698 3.177 ( -6.249 4.730 -9.192) 12.079 3.271 ( 0.397 3.406 12.632) 13.089 3.380 ( -5.184 -4.078 -2.098) 6.921 3.562 ( -1.651 -1.690 8.338) 8.666 3.764 ( -0.253 -2.591 0.164) 2.608 3.811 ( 5.561 -2.241 5.081) 7.859 3.844 ( 2.401 -9.636 -1.547) 10.050 3.915 ( 3.261 1.114 2.365) 4.180 4.026 ( 4.885 3.385 1.118) 6.047 4.290 ( 0.942 4.404 -8.005) 9.185 4.412 ( 4.638 4.355 4.069) 7.552 4.510 ( -3.169 2.118 -0.225) 3.818 4.668 ( 1.471 0.355 -2.097) 2.586 4.795 ( -4.842 1.533 2.479) 5.652 4.935 ( 0.740 0.483 -1.786) 1.993 5.054 ( -2.579 5.305 -6.289) 8.622 5.174 ( -1.201 4.762 0.279) 4.919 5.672 ( -6.527 -1.363 8.734) 10.988 5.857 ( 1.937 -0.667 -9.692) 9.906 6.343 ( 0.371 -3.115 -4.407) 5.409 6.427 ( 2.151 -5.975 3.998) 7.504 7.021 ( -2.822 7.491 6.618) 10.386 7.136 ( 4.535 4.808 -3.639) 7.545 7.220 ( -4.551 9.353 -1.368) 10.491 7.382 ( 2.651 7.635 -1.561) 8.231 7.985 ( -3.812 -0.515 -0.013) 3.846 8.029 ( -2.559 0.137 0.852) 2.701 8.596 ( -1.631 4.296 4.357) 6.333 8.644 ( 0.988 3.903 -4.197) 5.815 8.944 ( -3.927 -0.551 12.860) 13.458 9.023 ( 1.216 -1.469 -10.270) 10.445 10.034 ( -1.367 -2.579 -8.191) 8.696 10.052 ( -2.980 -2.399 7.787) 8.676 10.577 ( -5.359 -2.894 4.451) 7.544 10.738 ( 0.704 -0.380 -4.678) 4.746 10.808 ( -1.264 5.542 -0.654) 5.722 10.937 ( 0.389 1.943 3.340) 3.884 11.532 ( -1.665 0.088 1.885) 2.517 11.732 ( -3.297 2.955 -4.003) 5.969 11.896 ( 4.389 3.639 1.511) 5.898 11.939 ( 0.596 -2.669 3.011) 4.067 12.240 ( 12.842 0.316 0.430) 12.853 12.358 ( 13.312 6.336 4.529) 15.423 13.025 ( -2.761 0.711 -4.199) 5.075 13.118 ( 0.477 3.279 4.349) 5.468 13.786 ( -8.257 3.843 -1.991) 9.322 14.002 ( -2.243 -0.404 0.316) 2.301 14.336 ( 0.056 0.141 2.247) 2.253 14.478 ( 2.671 3.860 -5.255) 7.046 14.916 ( -2.450 -0.506 3.147) 4.020 14.963 ( 2.189 0.155 -3.759) 4.353 16.033 ( -5.172 -0.121 14.092) 15.012 16.190 ( 4.284 -0.773 -8.153) 9.243 16.415 ( -10.960 1.025 -10.683) 15.339 16.644 ( 1.070 0.108 -0.233) 1.100 16.892 ( -1.068 -5.046 5.095) 7.250 17.016 ( 3.878 0.154 2.682) 4.717 17.397 ( 0.885 -2.182 6.927) 7.317 17.560 ( 4.155 -2.675 -10.399) 11.514 18.409 ( -0.260 0.758 2.247) 2.385 18.422 ( 0.639 1.380 -1.842) 2.389 18.779 ( -1.156 -1.989 -4.937) 5.447 18.805 ( -1.731 -2.009 5.176) 5.816 ======================= Grid point 182 (87/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 12.252 6.448 -1.656) 13.944 1.770 ( 3.189 2.502 -17.570) 18.031 2.243 ( 9.741 3.074 12.754) 16.341 2.270 ( 12.948 -2.544 13.640) 18.978 2.415 ( -0.982 0.844 3.016) 3.282 2.595 ( -3.977 -3.640 -0.844) 5.457 2.712 ( -6.137 -0.098 -4.374) 7.537 2.810 ( -7.030 -3.408 -4.386) 8.959 2.961 ( 2.984 4.657 -9.034) 10.593 3.117 ( 0.736 3.891 -8.641) 9.505 3.212 ( -7.129 -4.718 -5.472) 10.150 3.342 ( 0.181 0.285 9.163) 9.169 3.592 ( 2.952 5.998 11.248) 13.085 3.800 ( 3.182 -0.962 3.204) 4.617 3.859 ( -3.292 2.313 7.515) 8.525 3.885 ( 3.966 -6.835 -1.420) 8.029 3.992 ( 0.773 -8.441 -2.964) 8.980 4.071 ( -1.164 2.564 -0.637) 2.887 4.321 ( 4.694 8.331 -7.473) 12.136 4.507 ( 0.951 8.746 2.822) 9.239 4.510 ( 2.764 -3.634 3.297) 5.631 4.654 ( -1.160 -4.580 -3.827) 6.080 4.732 ( -0.580 2.162 2.785) 3.573 4.938 ( 0.509 4.180 2.659) 4.980 4.987 ( -3.655 1.692 -5.150) 6.538 5.107 ( -3.697 7.312 -4.638) 9.415 5.611 ( -0.904 0.252 10.864) 10.904 5.811 ( -3.071 0.489 -12.784) 13.157 6.365 ( 2.565 -2.770 -2.520) 4.539 6.459 ( -0.529 -6.698 3.061) 7.383 6.990 ( -1.407 8.625 6.314) 10.781 7.098 ( -4.520 10.297 -3.501) 11.778 7.270 ( 6.770 3.612 -0.490) 7.689 7.421 ( 1.379 6.596 -2.539) 7.201 7.898 ( -3.798 -0.975 0.679) 3.979 7.947 ( -4.843 -0.573 0.707) 4.928 8.589 ( -0.157 3.846 5.012) 6.319 8.640 ( -0.170 3.366 -4.826) 5.886 8.917 ( -1.907 -0.080 13.830) 13.961 8.992 ( -0.935 -0.887 -11.535) 11.607 9.977 ( -1.298 -2.096 -8.210) 8.572 9.992 ( -4.115 -1.896 8.043) 9.231 10.554 ( 1.632 -1.715 6.310) 6.740 10.714 ( -1.640 -0.650 -4.437) 4.774 10.809 ( 1.041 3.589 0.428) 3.762 10.916 ( -2.243 2.921 -2.222) 4.302 11.548 ( 1.876 -0.787 1.340) 2.436 11.652 ( -2.765 1.724 -2.420) 4.059 11.951 ( 0.291 0.297 8.157) 8.167 11.964 ( 1.607 -1.145 -5.313) 5.668 12.579 ( 16.191 1.242 2.115) 16.375 12.636 ( 10.158 4.813 6.559) 13.015 12.956 ( -2.315 1.813 -3.775) 4.785 13.124 ( -1.844 6.072 1.978) 6.647 13.612 ( -6.170 2.516 1.285) 6.786 13.856 ( -9.831 0.943 -4.200) 10.732 14.376 ( 3.008 -2.466 -3.964) 5.554 14.481 ( -1.168 1.978 -1.294) 2.636 14.912 ( 1.238 -0.110 8.579) 8.669 15.011 ( 2.069 -0.005 -4.567) 5.014 15.988 ( -2.681 0.621 15.659) 15.899 16.149 ( -6.666 1.862 -11.524) 13.443 16.299 ( 4.711 -1.212 -7.740) 9.141 16.620 ( -7.347 -2.011 -1.018) 7.685 16.859 ( 3.251 -2.344 6.083) 7.285 17.081 ( 0.406 -0.842 -0.967) 1.345 17.492 ( 3.831 -2.607 8.253) 9.465 17.588 ( 1.562 -1.732 -10.428) 10.686 18.414 ( 0.115 0.689 2.093) 2.207 18.427 ( 0.250 1.343 -1.595) 2.100 18.746 ( -0.191 -1.258 -6.187) 6.317 18.772 ( -2.557 -1.456 6.172) 6.837 ======================= Grid point 183 (88/100) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -3.043 4.717 -9.007) 10.613 1.745 ( 3.043 4.717 9.007) 10.613 2.386 ( -3.859 -4.405 -7.524) 9.535 2.386 ( 3.859 -4.405 7.524) 9.535 2.513 ( -5.891 1.270 -7.946) 9.973 2.513 ( 5.891 1.270 7.946) 9.973 2.660 ( -3.844 3.820 -12.463) 13.591 2.660 ( 3.844 3.820 12.463) 13.591 3.031 ( -3.795 -5.706 -0.241) 6.857 3.031 ( 3.795 -5.706 0.241) 6.857 3.246 ( 7.069 4.066 -13.031) 15.372 3.246 ( -7.069 4.066 13.031) 15.372 3.752 ( -7.475 4.457 0.980) 8.758 3.752 ( 7.475 4.457 -0.980) 8.758 3.907 ( -5.086 -0.782 -6.133) 8.006 3.907 ( 5.086 -0.782 6.133) 8.006 3.994 ( -4.796 -6.240 -1.800) 8.074 3.994 ( 4.796 -6.240 1.800) 8.074 4.435 ( 6.172 8.598 -5.737) 12.039 4.435 ( -6.172 8.598 5.737) 12.039 4.597 ( -3.478 -3.902 -4.228) 6.723 4.597 ( 3.478 -3.902 4.228) 6.723 4.830 ( -3.269 0.186 -9.405) 9.959 4.830 ( 3.269 0.186 9.405) 9.959 5.014 ( -2.963 6.526 -6.696) 9.809 5.014 ( 2.963 6.526 6.696) 9.809 5.688 ( -3.765 1.735 -13.670) 14.284 5.688 ( 3.765 1.735 13.670) 14.284 6.423 ( 1.829 -5.213 -2.816) 6.201 6.423 ( -1.829 -5.213 2.816) 6.201 7.011 ( -2.049 10.129 -4.951) 11.459 7.011 ( 2.049 10.129 4.951) 11.459 7.396 ( -3.098 4.903 -2.323) 6.247 7.396 ( 3.098 4.903 2.323) 6.247 7.868 ( -1.477 -1.358 -0.567) 2.085 7.868 ( 1.477 -1.358 0.567) 2.085 8.613 ( -0.824 3.325 -5.197) 6.224 8.613 ( 0.824 3.325 5.197) 6.224 8.940 ( 0.310 -0.179 -15.674) 15.678 8.940 ( -0.310 -0.179 15.674) 15.678 9.952 ( 1.975 -1.695 -13.873) 14.115 9.952 ( -1.975 -1.695 13.873) 14.115 10.640 ( -3.670 -2.165 -6.758) 7.989 10.640 ( 3.670 -2.165 6.758) 7.989 10.852 ( -2.506 3.883 -2.355) 5.186 10.852 ( 2.506 3.883 2.355) 5.186 11.597 ( -1.061 0.160 -2.814) 3.012 11.597 ( 1.061 0.160 2.814) 3.012 11.969 ( 0.620 -0.637 -6.930) 6.986 11.969 ( -0.620 -0.637 6.930) 6.986 12.788 ( -0.536 1.435 -5.537) 5.745 12.788 ( 0.536 1.435 5.537) 5.745 12.990 ( -8.475 6.276 -1.897) 10.715 12.990 ( 8.475 6.276 1.897) 10.715 13.636 ( -6.947 1.316 -6.038) 9.297 13.636 ( 6.947 1.316 6.038) 9.297 14.433 ( 2.028 -0.521 -8.187) 8.451 14.433 ( -2.028 -0.521 8.187) 8.451 14.989 ( -1.766 -0.340 -8.907) 9.087 14.989 ( 1.766 -0.340 8.907) 9.087 16.018 ( -1.303 1.483 -16.543) 16.660 16.018 ( 1.303 1.483 16.543) 16.660 16.428 ( -5.112 -2.067 -0.281) 5.521 16.428 ( 5.112 -2.067 0.281) 5.521 17.005 ( -6.067 -1.341 -3.583) 7.173 17.005 ( 6.067 -1.341 3.583) 7.173 17.569 ( 0.456 -1.982 -13.455) 13.608 17.569 ( -0.456 -1.982 13.455) 13.608 18.423 ( 0.352 1.023 -4.000) 4.143 18.423 ( -0.352 1.023 4.000) 4.143 18.743 ( 1.660 -1.094 -7.565) 7.822 18.743 ( -1.660 -1.094 7.565) 7.822 ======================= Grid point 187 (89/100) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -3.231 8.851 -8.920) 12.975 1.475 ( 3.231 8.851 8.920) 12.975 1.958 ( -0.871 4.547 -15.231) 15.919 1.958 ( 0.871 4.547 15.231) 15.919 2.557 ( -1.339 -3.455 -4.859) 6.110 2.557 ( 1.339 -3.455 4.859) 6.110 2.870 ( 6.641 -0.841 -6.895) 9.610 2.870 ( -6.641 -0.841 6.895) 9.610 3.171 ( -1.774 0.422 -4.433) 4.793 3.171 ( 1.774 0.422 4.433) 4.793 3.376 ( -2.086 -12.786 -2.561) 13.206 3.376 ( 2.086 -12.786 2.561) 13.206 3.507 ( -4.285 5.577 -8.674) 11.167 3.507 ( 4.285 5.577 8.674) 11.167 3.768 ( 1.953 2.604 -4.646) 5.672 3.768 ( -1.953 2.604 4.646) 5.672 4.023 ( 2.222 3.671 -9.399) 10.332 4.023 ( -2.222 3.671 9.399) 10.332 4.334 ( -3.121 -0.206 -6.406) 7.129 4.334 ( 3.121 -0.206 6.406) 7.129 4.700 ( -1.378 6.517 -1.757) 6.889 4.700 ( 1.378 6.517 1.757) 6.889 4.899 ( 2.998 0.027 -6.378) 7.048 4.899 ( -2.998 0.027 6.378) 7.048 5.209 ( -3.245 2.226 -3.115) 5.019 5.209 ( 3.245 2.226 3.115) 5.019 5.750 ( 2.248 -3.073 -4.287) 5.734 5.750 ( -2.248 -3.073 4.287) 5.734 6.297 ( 0.393 -2.112 -2.288) 3.138 6.297 ( -0.393 -2.112 2.288) 3.138 7.225 ( 1.568 8.501 -4.948) 9.960 7.225 ( -1.568 8.501 4.948) 9.960 7.494 ( 0.043 8.582 -2.630) 8.976 7.494 ( -0.043 8.582 2.630) 8.976 8.045 ( 0.218 0.670 -1.080) 1.290 8.045 ( -0.218 0.670 1.080) 1.290 8.741 ( 0.934 7.081 -2.886) 7.704 8.741 ( -0.934 7.081 2.886) 7.704 8.968 ( 1.837 -1.571 -9.421) 9.726 8.968 ( -1.837 -1.571 9.421) 9.726 10.000 ( 0.583 -3.873 -7.751) 8.684 10.000 ( -0.583 -3.873 7.751) 8.684 10.605 ( 4.035 -4.809 -5.218) 8.163 10.605 ( -4.035 -4.809 5.218) 8.163 10.997 ( -0.589 6.253 -3.545) 7.212 10.997 ( 0.589 6.253 3.545) 7.212 11.709 ( -8.405 3.630 -3.348) 9.749 11.709 ( 8.405 3.630 3.348) 9.749 11.937 ( 0.700 2.115 -6.622) 6.986 11.937 ( -0.700 2.115 6.622) 6.986 12.202 ( -8.193 3.037 -3.065) 9.259 12.202 ( 8.193 3.037 3.065) 9.259 13.148 ( -2.567 5.154 -5.046) 7.656 13.148 ( 2.567 5.154 5.046) 7.656 13.955 ( -2.478 -1.080 -2.441) 3.642 13.955 ( 2.478 -1.080 2.441) 3.642 14.488 ( 1.811 5.783 -5.649) 8.285 14.488 ( -1.811 5.783 5.649) 8.285 14.944 ( 0.661 0.010 -7.216) 7.246 14.944 ( -0.661 0.010 7.216) 7.246 16.103 ( 4.695 -0.317 -10.871) 11.845 16.103 ( -4.695 -0.317 10.871) 11.845 16.613 ( -4.683 -0.468 -0.958) 4.803 16.613 ( 4.683 -0.468 0.958) 4.803 16.860 ( -2.637 -1.821 -12.964) 13.355 16.860 ( 2.637 -1.821 12.964) 13.355 17.385 ( 5.708 -4.925 -5.234) 9.177 17.385 ( -5.708 -4.925 5.234) 9.177 18.444 ( 0.832 2.004 -5.248) 5.679 18.444 ( -0.832 2.004 5.248) 5.679 18.749 ( 0.329 -3.453 -5.520) 6.519 18.749 ( -0.329 -3.453 5.520) 6.519 ======================= Grid point 189 (90/100) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 8.680 11.534 -6.288) 15.746 1.675 ( 9.698 -0.607 -0.952) 9.763 1.978 ( 6.122 3.918 -4.313) 8.452 2.088 ( 7.924 5.702 15.527) 18.341 2.502 ( -1.688 -1.968 -0.651) 2.673 2.586 ( -0.742 -2.774 -0.391) 2.898 2.750 ( -5.753 -0.852 6.844) 8.982 2.936 ( -4.782 -1.168 -1.222) 5.072 3.004 ( -1.386 -2.924 -2.987) 4.404 3.186 ( -4.952 -1.632 -6.551) 8.372 3.369 ( 1.136 -1.730 8.198) 8.455 3.418 ( 0.620 4.884 -9.288) 10.512 3.468 ( 2.929 -3.516 -1.800) 4.918 3.629 ( 5.321 -1.939 -0.711) 5.708 3.715 ( -2.884 -2.930 3.606) 5.469 3.825 ( 4.150 3.431 -0.625) 5.421 4.018 ( 0.129 5.008 3.036) 5.858 4.105 ( 4.070 2.346 1.400) 4.902 4.268 ( 0.317 -3.638 -1.150) 3.829 4.463 ( 5.472 1.922 2.014) 6.139 4.643 ( -3.128 9.116 -2.922) 10.071 4.708 ( -1.197 4.173 1.671) 4.651 4.847 ( -1.939 2.648 5.623) 6.511 4.940 ( 0.633 -0.418 -1.711) 1.872 5.124 ( -2.722 1.177 -4.970) 5.788 5.262 ( 0.999 3.920 -4.714) 6.212 5.639 ( -5.314 -1.900 4.912) 7.482 5.817 ( 1.738 -3.729 -3.470) 5.382 6.299 ( 1.546 -0.732 -0.002) 1.711 6.334 ( 1.929 -2.808 -1.218) 3.617 7.197 ( -1.903 9.316 5.570) 11.019 7.260 ( 2.501 7.078 -1.665) 7.690 7.416 ( -4.018 9.482 -1.282) 10.378 7.545 ( 2.238 7.882 -2.581) 8.591 7.980 ( -4.396 0.220 0.565) 4.438 8.031 ( -2.860 0.378 -0.679) 2.964 8.712 ( -1.715 7.064 2.518) 7.693 8.753 ( 0.124 6.659 -1.589) 6.847 8.932 ( -2.360 -0.586 5.780) 6.271 8.983 ( 0.221 -2.446 -2.849) 3.761 9.970 ( -1.387 -3.522 -4.598) 5.955 9.991 ( -2.192 -3.602 4.977) 6.523 10.516 ( -3.264 -2.999 3.326) 5.542 10.670 ( 2.045 -5.117 -6.807) 8.758 10.945 ( -2.429 6.631 0.469) 7.077 11.021 ( 0.012 5.773 2.126) 6.152 11.545 ( -4.096 1.319 -1.187) 4.464 11.789 ( -6.209 1.440 -1.267) 6.498 11.879 ( 3.477 -1.183 1.755) 4.070 12.011 ( 0.690 6.367 -1.007) 6.483 12.264 ( 14.233 2.238 1.661) 14.504 12.465 ( 13.194 3.894 4.320) 14.419 13.071 ( -2.888 4.082 -2.864) 5.762 13.217 ( 2.513 6.984 4.598) 8.732 13.853 ( -6.878 1.408 -2.870) 7.585 13.979 ( -1.190 -2.203 -0.131) 2.507 14.369 ( -4.275 3.672 0.904) 5.708 14.556 ( 0.164 3.694 -2.076) 4.240 14.913 ( -1.751 0.354 3.105) 3.583 14.970 ( 2.264 0.656 -2.070) 3.137 16.037 ( -4.068 0.711 11.849) 12.548 16.170 ( 4.079 -1.158 -8.488) 9.488 16.444 ( -9.324 1.856 -9.567) 13.487 16.646 ( 0.464 -0.004 -0.305) 0.555 16.795 ( -2.353 -4.407 2.644) 5.652 16.989 ( 4.165 -2.792 2.342) 5.534 17.340 ( 1.235 -3.395 6.322) 7.281 17.485 ( 4.504 -4.758 -6.042) 8.912 18.432 ( -0.399 1.584 1.070) 1.953 18.459 ( 0.739 2.291 -1.747) 2.974 18.731 ( -0.488 -2.646 -3.394) 4.331 18.750 ( -1.103 -3.388 4.443) 5.695 ======================= Grid point 190 (91/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 9.114 6.614 -3.875) 11.909 1.793 ( 3.918 -1.304 -7.601) 8.650 2.141 ( 6.425 -2.464 9.329) 11.593 2.341 ( 7.735 1.404 7.714) 11.014 2.472 ( -2.579 2.291 1.587) 3.797 2.570 ( 3.430 -0.858 -1.609) 3.885 2.706 ( 1.382 1.510 4.727) 5.151 2.747 ( -9.277 0.965 0.499) 9.340 2.972 ( -5.064 -10.446 -0.591) 11.624 3.113 ( 1.345 9.544 -11.351) 14.891 3.343 ( -4.384 6.882 7.646) 11.183 3.403 ( 0.013 6.037 -9.864) 11.565 3.566 ( 5.296 -9.654 3.582) 11.579 3.689 ( 1.132 -7.182 -2.570) 7.712 3.742 ( 5.026 -2.083 -2.705) 6.076 3.901 ( 0.617 1.582 2.336) 2.888 4.014 ( 0.660 6.662 1.683) 6.903 4.170 ( -0.271 3.058 4.987) 5.856 4.330 ( 4.266 -4.938 2.353) 6.936 4.548 ( -1.710 -0.502 -5.751) 6.021 4.573 ( 2.826 7.728 -1.968) 8.461 4.688 ( -0.365 6.022 3.953) 7.213 4.826 ( -3.106 7.372 4.259) 9.063 4.940 ( -0.002 -3.396 1.688) 3.792 5.047 ( -2.873 2.672 -2.922) 4.892 5.227 ( -2.332 4.507 -9.615) 10.872 5.612 ( 1.771 -0.476 7.700) 7.915 5.801 ( -1.997 -2.132 -5.277) 6.032 6.339 ( 1.667 0.583 -1.690) 2.445 6.359 ( 0.490 -2.638 0.296) 2.699 7.185 ( -0.404 10.077 6.096) 11.784 7.291 ( -2.185 8.050 -3.385) 9.002 7.379 ( 4.554 7.393 0.513) 8.699 7.575 ( 0.965 8.130 -3.023) 8.727 7.877 ( -4.944 -0.979 1.228) 5.188 7.928 ( -5.911 -0.911 -1.026) 6.068 8.694 ( -0.458 6.516 2.867) 7.134 8.738 ( -0.956 6.236 -2.008) 6.621 8.912 ( -0.807 -0.539 5.393) 5.479 8.963 ( -1.245 -2.113 -2.644) 3.607 9.927 ( -1.382 -2.706 -2.580) 3.987 9.943 ( -2.762 -2.748 2.715) 4.749 10.508 ( 1.385 -2.624 4.297) 5.222 10.652 ( -1.624 -4.664 -7.518) 8.995 10.920 ( 0.081 6.162 1.493) 6.341 11.005 ( -1.844 5.627 -0.063) 5.921 11.523 ( 1.507 -1.701 -0.228) 2.284 11.667 ( -4.685 -0.973 -0.730) 4.840 11.939 ( 2.121 1.179 2.558) 3.526 12.015 ( -0.123 4.462 -1.915) 4.857 12.613 ( 15.284 2.140 2.572) 15.646 12.717 ( 8.584 2.777 3.109) 9.543 13.034 ( 0.543 5.809 -0.183) 5.838 13.274 ( 0.559 8.828 2.897) 9.308 13.662 ( -8.026 1.685 -2.123) 8.471 13.871 ( -8.495 0.202 -2.606) 8.887 14.351 ( 2.644 0.368 -2.761) 3.840 14.510 ( -3.360 1.098 -0.265) 3.545 14.915 ( 0.602 0.627 10.568) 10.604 15.010 ( 1.508 -0.147 -6.418) 6.594 16.010 ( -1.399 1.688 12.509) 12.699 16.188 ( -4.479 1.604 -8.207) 9.486 16.275 ( 1.690 -0.682 -9.893) 10.060 16.562 ( -9.086 -3.707 -0.679) 9.837 16.820 ( 5.953 -1.291 3.585) 7.068 17.048 ( -0.141 -2.511 0.798) 2.639 17.427 ( 4.359 -3.644 3.628) 6.741 17.534 ( 1.309 -3.670 -3.785) 5.432 18.436 ( 0.371 1.504 1.483) 2.144 18.463 ( 0.109 2.230 -2.086) 3.056 18.715 ( 0.042 -1.793 -4.175) 4.544 18.731 ( -1.742 -2.647 5.035) 5.949 ======================= Grid point 191 (92/100) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 1.016 1.235 -6.927) 7.109 1.819 ( -1.016 1.235 6.927) 7.109 2.290 ( -5.665 -3.160 -9.403) 11.424 2.290 ( 5.665 -3.160 9.403) 11.424 2.555 ( -7.196 0.404 -2.048) 7.492 2.555 ( 7.196 0.404 2.048) 7.492 2.704 ( -4.371 0.750 -2.066) 4.892 2.704 ( 4.371 0.750 2.066) 4.892 3.004 ( -6.706 5.580 -8.591) 12.244 3.004 ( 6.706 5.580 8.591) 12.244 3.350 ( -1.236 4.282 -7.710) 8.905 3.350 ( 1.236 4.282 7.710) 8.905 3.672 ( -2.805 -10.463 -3.885) 11.508 3.672 ( 2.805 -10.463 3.885) 11.508 3.845 ( 2.755 1.664 -5.496) 6.369 3.845 ( -2.755 1.664 5.496) 6.369 4.097 ( -2.974 6.768 -3.814) 8.319 4.097 ( 2.974 6.768 3.814) 8.319 4.442 ( -3.521 -3.644 -8.419) 9.826 4.442 ( 3.521 -3.644 8.419) 9.826 4.672 ( 4.665 8.352 -4.554) 10.595 4.672 ( -4.665 8.352 4.554) 10.595 4.834 ( -2.489 0.080 -11.594) 11.859 4.834 ( 2.489 0.080 11.594) 11.859 5.115 ( -5.005 3.562 -8.155) 10.210 5.115 ( 5.005 3.562 8.155) 10.210 5.713 ( -4.141 -0.012 -7.649) 8.698 5.713 ( 4.141 -0.012 7.649) 8.698 6.357 ( 0.930 -0.757 -4.533) 4.689 6.357 ( -0.930 -0.757 4.533) 4.689 7.220 ( -2.031 9.922 -5.350) 11.454 7.220 ( 2.031 9.922 5.350) 11.454 7.523 ( -4.093 7.479 -4.335) 9.564 7.523 ( 4.093 7.479 4.335) 9.564 7.830 ( -1.402 -2.171 -2.103) 3.332 7.830 ( 1.402 -2.171 2.103) 3.332 8.709 ( -0.875 6.086 -2.678) 6.706 8.709 ( 0.875 6.086 2.678) 6.706 8.928 ( 1.156 -1.158 -12.389) 12.497 8.928 ( -1.156 -1.158 12.389) 12.497 9.911 ( 1.531 -2.287 -11.510) 11.835 9.911 ( -1.531 -2.287 11.510) 11.835 10.577 ( -3.055 -3.832 -6.439) 8.092 10.577 ( 3.055 -3.832 6.439) 8.092 10.953 ( -2.286 5.758 -1.587) 6.395 10.953 ( 2.286 5.758 1.587) 6.395 11.580 ( -0.809 -2.130 -3.671) 4.321 11.580 ( 0.809 -2.130 3.671) 4.321 11.988 ( -0.534 3.022 -5.310) 6.133 11.988 ( 0.534 3.022 5.310) 6.133 12.811 ( 0.329 0.673 -1.576) 1.745 12.811 ( -0.329 0.673 1.576) 1.745 13.150 ( -9.571 9.088 -2.804) 13.493 13.150 ( 9.571 9.088 2.804) 13.493 13.667 ( -7.265 1.687 -3.176) 8.107 13.667 ( 7.265 1.687 3.176) 8.107 14.428 ( 1.691 0.191 -6.650) 6.864 14.428 ( -1.691 0.191 6.650) 6.864 14.980 ( -0.944 -0.461 -13.091) 13.133 14.980 ( 0.944 -0.461 13.091) 13.133 16.058 ( -2.016 2.517 -14.592) 14.944 16.058 ( 2.016 2.517 14.592) 14.944 16.375 ( -1.311 -3.082 -1.587) 3.706 16.375 ( 1.311 -3.082 1.587) 3.706 16.973 ( -5.622 -1.697 -2.254) 6.290 16.973 ( 5.622 -1.697 2.254) 6.290 17.513 ( 0.616 -3.522 -10.226) 10.833 17.513 ( -0.616 -3.522 10.226) 10.833 18.452 ( 0.156 1.859 -4.292) 4.680 18.452 ( -0.156 1.859 4.292) 4.680 18.713 ( 1.234 -1.854 -7.210) 7.546 18.713 ( -1.234 -1.854 7.210) 7.546 ======================= Grid point 195 (93/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 3.597 9.806 -6.814) 12.471 1.668 ( -3.597 9.806 6.814) 12.471 2.064 ( -2.262 5.882 -11.304) 12.942 2.064 ( 2.262 5.882 11.304) 12.942 2.514 ( -1.743 -1.374 -5.117) 5.577 2.514 ( 1.743 -1.374 5.117) 5.577 2.822 ( 0.641 -0.733 -3.404) 3.540 2.822 ( -0.641 -0.733 3.404) 3.540 3.021 ( -7.151 -15.379 -3.148) 17.250 3.021 ( 7.151 -15.379 3.148) 17.250 3.317 ( 2.650 7.114 -7.708) 10.819 3.317 ( -2.650 7.114 7.708) 10.819 3.511 ( -1.569 -6.459 -4.576) 8.069 3.511 ( 1.569 -6.459 4.576) 8.069 3.898 ( 5.161 6.937 -8.609) 12.201 3.898 ( -5.161 6.937 8.609) 12.201 4.013 ( 2.194 -2.618 -9.603) 10.193 4.013 ( -2.194 -2.618 9.603) 10.193 4.415 ( -3.321 8.224 -8.772) 12.475 4.415 ( 3.321 8.224 8.772) 12.475 4.809 ( -1.017 3.216 -1.006) 3.520 4.809 ( 1.017 3.216 1.006) 3.520 4.876 ( 5.504 -2.016 -10.443) 11.976 4.876 ( -5.504 -2.016 10.443) 11.976 5.251 ( -1.302 3.022 -2.673) 4.239 5.251 ( 1.302 3.022 2.673) 4.239 5.672 ( -0.585 -4.785 -6.997) 8.497 5.672 ( 0.585 -4.785 6.997) 8.497 6.283 ( 0.680 0.281 -2.687) 2.786 6.283 ( -0.680 0.281 2.687) 2.786 7.368 ( 0.504 5.458 -3.302) 6.399 7.368 ( -0.504 5.458 3.302) 6.399 7.632 ( 0.808 5.279 -2.104) 5.740 7.632 ( -0.808 5.279 2.104) 5.740 8.076 ( 1.431 2.434 -1.069) 3.019 8.076 ( -1.431 2.434 1.069) 3.019 8.861 ( 0.945 3.042 -5.258) 6.147 8.861 ( -0.945 3.042 5.258) 6.147 8.954 ( 0.747 1.603 -8.101) 8.292 8.954 ( -0.747 1.603 8.101) 8.292 9.929 ( 0.684 -2.975 -6.339) 7.035 9.929 ( -0.684 -2.975 6.339) 7.035 10.521 ( 2.443 -3.550 -2.843) 5.163 10.521 ( -2.443 -3.550 2.843) 5.163 11.096 ( 0.253 3.593 -1.843) 4.046 11.096 ( -0.253 3.593 1.843) 4.046 11.753 ( -6.133 0.564 -4.239) 7.476 11.753 ( 6.133 0.564 4.239) 7.476 12.016 ( -7.334 5.831 -2.370) 9.664 12.016 ( 7.334 5.831 2.370) 9.664 12.239 ( -9.431 0.531 -2.833) 9.862 12.239 ( 9.431 0.531 2.833) 9.862 13.290 ( -4.105 9.172 -5.751) 11.578 13.290 ( 4.105 9.172 5.751) 11.578 13.885 ( -2.122 -6.171 -1.746) 6.755 13.885 ( 2.122 -6.171 1.746) 6.755 14.602 ( -0.423 5.267 -3.321) 6.241 14.602 ( 0.423 5.267 3.321) 6.241 14.954 ( 0.575 0.980 -7.570) 7.655 14.954 ( -0.575 0.980 7.570) 7.655 16.105 ( 3.186 0.508 -8.294) 8.899 16.105 ( -3.186 0.508 8.294) 8.899 16.610 ( -3.482 0.222 -1.318) 3.730 16.610 ( 3.482 0.222 1.318) 3.730 16.823 ( -3.084 -1.802 -8.927) 9.615 16.823 ( 3.084 -1.802 8.927) 9.615 17.281 ( 3.971 -5.199 -3.348) 7.349 17.281 ( -3.971 -5.199 3.348) 7.349 18.490 ( 0.886 2.565 -4.956) 5.650 18.490 ( -0.886 2.565 4.956) 5.650 18.679 ( 0.774 -3.548 -5.220) 6.359 18.679 ( -0.774 -3.548 5.220) 6.359 ======================= Grid point 197 (94/100) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.587 3.821 5.098) 6.398 1.769 ( 6.352 9.213 -4.476) 12.053 2.047 ( 3.181 2.137 -5.970) 7.095 2.216 ( 7.690 5.603 8.462) 12.733 2.482 ( 0.968 -1.296 -2.529) 3.002 2.537 ( -1.460 1.777 2.779) 3.607 2.722 ( -3.874 -3.539 1.017) 5.345 2.884 ( 0.207 -2.243 0.849) 2.407 2.889 ( -4.032 -8.612 2.542) 9.844 3.156 ( 3.803 -3.617 -0.713) 5.296 3.307 ( 1.808 1.911 -1.540) 3.048 3.381 ( 5.272 4.438 -1.149) 6.987 3.510 ( 1.936 -9.598 -1.338) 9.882 3.590 ( 4.206 -2.874 2.128) 5.520 3.757 ( -8.879 6.914 5.280) 12.430 3.937 ( 1.686 4.303 -6.544) 8.011 4.032 ( 1.531 -0.470 1.946) 2.521 4.083 ( 4.509 -3.966 -3.045) 6.733 4.310 ( -2.288 8.048 -2.059) 8.617 4.545 ( 4.116 5.869 2.574) 7.617 4.764 ( -2.904 1.149 2.197) 3.818 4.791 ( -2.821 1.616 4.397) 5.468 4.855 ( 0.929 1.299 3.180) 3.558 4.964 ( 4.883 2.106 -8.445) 9.980 5.141 ( -4.761 3.033 0.485) 5.666 5.326 ( 1.490 2.317 -2.552) 3.755 5.595 ( -3.412 -2.608 -1.473) 4.540 5.713 ( 1.173 -6.409 0.863) 6.573 6.308 ( 2.118 0.762 1.644) 2.787 6.314 ( 2.866 0.491 -3.583) 4.614 7.351 ( -0.907 5.781 2.215) 6.257 7.387 ( 0.885 5.264 0.941) 5.420 7.574 ( -3.177 6.487 -0.901) 7.279 7.663 ( 1.674 3.818 -2.397) 4.809 8.004 ( -5.100 2.402 1.216) 5.767 8.055 ( -3.513 1.929 -1.122) 4.162 8.840 ( -1.698 3.912 2.805) 5.104 8.862 ( -0.100 2.687 -1.687) 3.174 8.932 ( -0.776 0.795 -4.808) 4.935 8.950 ( -1.925 1.394 7.590) 7.953 9.909 ( -1.114 -2.388 -1.156) 2.877 9.924 ( -1.074 -2.834 1.041) 3.204 10.467 ( -1.717 -1.786 0.842) 2.617 10.567 ( 1.644 -4.944 -4.934) 7.175 11.051 ( -2.435 4.250 2.216) 5.376 11.117 ( 0.150 3.186 1.314) 3.450 11.582 ( -6.569 2.229 -4.642) 8.347 11.747 ( -6.412 -3.785 -0.486) 7.462 11.939 ( 2.117 5.461 2.787) 6.486 12.112 ( -1.193 3.042 -1.124) 3.456 12.332 ( 16.118 4.577 2.733) 16.977 12.507 ( 13.209 0.523 2.186) 13.399 13.189 ( -3.451 7.957 -3.587) 9.385 13.387 ( 3.478 9.853 4.818) 11.506 13.800 ( -5.504 -6.678 -3.211) 9.231 13.911 ( -0.159 -4.891 -0.055) 4.893 14.477 ( -6.251 6.575 0.590) 9.091 14.617 ( -2.763 2.342 -0.404) 3.645 14.933 ( -0.878 1.612 2.216) 2.878 14.985 ( 1.608 0.648 0.180) 1.743 16.063 ( -2.584 1.817 8.150) 8.741 16.149 ( 2.900 -0.959 -6.932) 7.575 16.487 ( -7.650 2.510 -8.692) 11.848 16.636 ( -2.199 -1.312 -0.095) 2.563 16.736 ( -1.065 -1.143 -0.311) 1.593 16.915 ( 3.847 -4.447 1.775) 6.142 17.276 ( 2.325 -2.724 5.757) 6.780 17.382 ( 4.826 -5.410 -1.645) 7.434 18.471 ( -0.646 2.388 1.146) 2.726 18.508 ( 0.889 2.666 -2.321) 3.645 18.676 ( -0.918 -3.440 5.607) 6.642 18.680 ( 0.531 -3.077 -4.297) 5.312 ======================= Grid point 198 (95/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.010 -1.334 2.305) 4.019 1.852 ( 0.981 3.865 -1.542) 4.275 2.137 ( 5.501 -2.001 -1.556) 6.057 2.316 ( -0.342 -3.468 -1.438) 3.770 2.490 ( -1.892 2.621 3.178) 4.533 2.517 ( -0.066 -3.216 -1.062) 3.387 2.794 ( 11.699 -1.749 5.041) 12.858 2.831 ( -2.480 5.748 3.897) 7.374 2.861 ( -1.949 5.275 2.709) 6.242 3.223 ( 4.174 -2.991 -3.744) 6.355 3.345 ( 1.616 6.773 -8.137) 10.710 3.412 ( -7.115 -8.180 0.834) 10.874 3.590 ( 0.323 6.847 12.902) 14.610 3.619 ( 3.438 0.909 -4.619) 5.829 3.706 ( 5.424 -2.288 -1.775) 6.148 3.942 ( -0.476 2.433 -5.492) 6.026 4.050 ( 1.046 -3.303 -1.087) 3.632 4.152 ( 0.919 -4.337 2.543) 5.111 4.323 ( 3.401 5.370 2.325) 6.768 4.577 ( -1.947 2.661 -1.365) 3.569 4.706 ( -1.464 3.159 4.057) 5.346 4.772 ( -0.034 0.493 -0.822) 0.959 4.873 ( 0.377 1.266 -0.929) 1.615 5.007 ( -3.997 9.665 6.957) 12.561 5.066 ( 2.011 0.291 -8.203) 8.451 5.292 ( -3.475 2.027 -4.669) 6.163 5.583 ( 2.556 -2.280 4.447) 5.613 5.721 ( -0.523 -5.625 -2.464) 6.163 6.353 ( 2.369 1.471 -2.999) 4.095 6.376 ( 2.317 2.421 0.323) 3.366 7.346 ( -0.148 5.562 3.595) 6.625 7.405 ( -0.148 3.937 -1.659) 4.275 7.535 ( 1.659 7.473 0.578) 7.676 7.703 ( 2.737 3.711 -1.421) 4.825 7.874 ( -7.603 1.509 1.200) 7.844 7.932 ( -6.780 1.416 -1.858) 7.171 8.819 ( -0.658 4.612 1.996) 5.069 8.851 ( -0.668 3.286 -0.825) 3.453 8.902 ( -0.072 0.370 -7.937) 7.945 8.922 ( -2.792 -0.500 10.525) 10.901 9.882 ( -1.222 -1.663 1.046) 2.314 9.895 ( -1.353 -1.953 -1.420) 2.768 10.462 ( 0.873 -1.799 1.511) 2.507 10.556 ( -1.141 -4.688 -5.556) 7.359 11.027 ( -0.134 4.622 2.360) 5.192 11.106 ( -1.684 3.757 0.788) 4.192 11.492 ( -0.842 -1.032 -2.221) 2.590 11.613 ( -5.355 -3.842 -0.768) 6.635 12.009 ( 3.107 5.234 4.049) 7.311 12.110 ( 0.227 4.381 -2.224) 4.918 12.657 ( 11.994 2.128 2.944) 12.532 12.744 ( 7.864 0.166 -0.753) 7.902 13.168 ( 2.861 7.551 0.850) 8.119 13.450 ( -0.340 8.016 2.352) 8.361 13.652 ( -4.987 -2.492 -3.018) 6.339 13.852 ( -5.620 -2.292 -1.572) 6.269 14.398 ( -0.420 4.105 -0.365) 4.143 14.529 ( -4.487 0.802 -0.045) 4.558 14.938 ( 0.019 1.560 8.429) 8.572 15.005 ( 0.368 -0.337 -4.330) 4.359 16.053 ( -0.238 2.547 8.559) 8.933 16.188 ( 1.534 -1.427 -4.475) 4.942 16.295 ( -5.525 2.415 -11.120) 12.650 16.485 ( -9.152 -3.886 -1.943) 10.131 16.814 ( 6.217 0.764 2.359) 6.693 16.987 ( 0.997 -3.581 1.670) 4.075 17.361 ( 4.032 -2.706 2.200) 5.331 17.451 ( 1.516 -4.525 -0.053) 4.772 18.473 ( 0.411 2.262 1.725) 2.875 18.511 ( -0.014 2.535 -2.851) 3.815 18.672 ( -1.001 -3.059 6.620) 7.361 18.678 ( 0.501 -2.142 -5.365) 5.799 ======================= Grid point 199 (96/100) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.015 -1.407 -4.216) 4.880 1.798 ( 2.015 -1.407 4.216) 4.880 2.248 ( -4.487 -4.587 -2.354) 6.835 2.248 ( 4.487 -4.587 2.354) 6.835 2.494 ( -0.577 -1.202 -4.183) 4.390 2.494 ( 0.577 -1.202 4.183) 4.390 2.819 ( 0.478 9.128 -2.900) 9.590 2.819 ( -0.478 9.128 2.900) 9.590 3.131 ( -14.039 -0.793 -8.593) 16.479 3.131 ( 14.039 -0.793 8.593) 16.479 3.314 ( -1.228 0.350 -2.950) 3.215 3.314 ( 1.228 0.350 2.950) 3.215 3.639 ( -0.550 4.181 -8.833) 9.788 3.639 ( 0.550 4.181 8.833) 9.788 3.854 ( -4.188 -0.423 -4.962) 6.507 3.854 ( 4.188 -0.423 4.962) 6.507 4.111 ( 0.675 -4.522 -6.560) 7.996 4.111 ( -0.675 -4.522 6.560) 7.996 4.452 ( -6.054 3.331 -6.376) 9.402 4.452 ( 6.054 3.331 6.376) 9.402 4.756 ( -1.638 -0.844 -7.557) 7.778 4.756 ( 1.638 -0.844 7.557) 7.778 4.892 ( 4.449 6.679 -6.996) 10.647 4.892 ( -4.449 6.679 6.996) 10.647 5.173 ( -2.601 2.972 -4.530) 6.010 5.173 ( 2.601 2.972 4.530) 6.010 5.672 ( -3.007 -3.908 -5.246) 7.200 5.672 ( 3.007 -3.908 5.246) 7.200 6.388 ( 1.053 3.044 -5.552) 6.419 6.388 ( -1.053 3.044 5.552) 6.419 7.369 ( -1.276 4.779 -4.280) 6.541 7.369 ( 1.276 4.779 4.280) 6.541 7.667 ( -6.619 6.333 -3.459) 9.792 7.667 ( 6.619 6.333 3.459) 9.792 7.802 ( -3.884 -0.059 -2.415) 4.574 7.802 ( 3.884 -0.059 2.415) 4.574 8.828 ( -0.015 4.711 -3.661) 5.966 8.828 ( 0.015 4.711 3.661) 5.966 8.898 ( 2.018 -1.079 -10.219) 10.472 8.898 ( -2.018 -1.079 10.219) 10.472 9.872 ( 0.903 -1.402 -7.836) 8.011 9.872 ( -0.903 -1.402 7.836) 8.011 10.504 ( -2.052 -3.288 -3.851) 5.464 10.504 ( 2.052 -3.288 3.851) 5.464 11.058 ( -2.195 4.499 -1.307) 5.174 11.058 ( 2.195 4.499 1.307) 5.174 11.520 ( -0.465 -3.492 -3.503) 4.968 11.520 ( 0.465 -3.492 3.503) 4.968 12.080 ( -1.864 5.608 -4.719) 7.563 12.080 ( 1.864 5.608 4.719) 7.563 12.810 ( -1.071 -0.685 -3.918) 4.119 12.810 ( 1.071 -0.685 3.918) 4.119 13.312 ( -8.923 6.658 -2.240) 11.356 13.312 ( 8.923 6.658 2.240) 11.356 13.698 ( -6.848 1.363 -1.265) 7.096 13.698 ( 6.848 1.363 1.265) 7.096 14.442 ( 0.127 1.066 -3.498) 3.659 14.442 ( -0.127 1.066 3.498) 3.659 14.976 ( -0.060 0.165 -12.029) 12.030 14.976 ( 0.060 0.165 12.029) 12.030 16.112 ( -2.764 2.742 -10.812) 11.492 16.112 ( 2.764 2.742 10.812) 11.492 16.314 ( -2.281 -2.968 -0.751) 3.818 16.314 ( 2.281 -2.968 0.751) 3.818 16.945 ( -4.086 -1.030 -1.196) 4.380 16.945 ( 4.086 -1.030 1.196) 4.380 17.439 ( 0.522 -3.718 -6.356) 7.382 17.439 ( -0.522 -3.718 6.356) 7.382 18.494 ( -0.117 2.287 -4.409) 4.968 18.494 ( 0.117 2.287 4.409) 4.968 18.673 ( 0.634 -2.214 -6.350) 6.755 18.673 ( -0.634 -2.214 6.350) 6.755 ======================= Grid point 203 (97/100) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 1.532 3.371 -2.583) 4.515 1.806 ( -1.532 3.371 2.583) 4.515 2.206 ( -3.832 7.670 -5.742) 10.319 2.206 ( 3.832 7.670 5.742) 10.319 2.471 ( -2.043 -2.099 -2.681) 3.971 2.471 ( 2.043 -2.099 2.681) 3.971 2.703 ( -3.682 -11.279 -2.025) 12.036 2.703 ( 3.682 -11.279 2.025) 12.036 2.963 ( -6.785 9.754 -3.020) 12.260 2.963 ( 6.785 9.754 3.020) 12.260 3.301 ( -3.819 -11.734 -3.313) 12.777 3.301 ( 3.819 -11.734 3.313) 12.777 3.460 ( 1.248 4.611 -5.489) 7.277 3.460 ( -1.248 4.611 5.489) 7.277 3.915 ( -0.100 -1.943 -2.825) 3.431 3.915 ( 0.100 -1.943 2.825) 3.431 4.030 ( 0.770 1.859 -1.583) 2.560 4.030 ( -0.770 1.859 1.583) 2.560 4.602 ( -0.392 9.456 -10.599) 14.209 4.602 ( 0.392 9.456 10.599) 14.209 4.762 ( 1.646 -6.130 -10.093) 11.923 4.762 ( -1.646 -6.130 10.093) 11.923 4.877 ( 0.461 0.755 -2.621) 2.766 4.877 ( -0.461 0.755 2.621) 2.766 5.334 ( 2.042 4.202 -3.420) 5.790 5.334 ( -2.042 4.202 3.420) 5.790 5.572 ( -0.072 -4.394 -4.848) 6.544 5.572 ( 0.072 -4.394 4.848) 6.544 6.292 ( 0.131 0.310 -1.186) 1.232 6.292 ( -0.131 0.310 1.186) 1.232 7.434 ( 0.003 1.463 -1.077) 1.817 7.434 ( -0.003 1.463 1.077) 1.817 7.702 ( 0.423 1.855 -0.815) 2.070 7.702 ( -0.423 1.855 0.815) 2.070 8.123 ( 0.776 1.665 -0.593) 1.930 8.123 ( -0.776 1.665 0.593) 1.930 8.861 ( 0.393 -0.876 -1.980) 2.201 8.861 ( -0.393 -0.876 1.980) 2.201 9.015 ( 0.667 2.333 -3.483) 4.245 9.015 ( -0.667 2.333 3.483) 4.245 9.890 ( 0.359 -0.908 -2.616) 2.792 9.890 ( -0.359 -0.908 2.616) 2.792 10.471 ( 0.668 -1.350 -0.716) 1.667 10.471 ( -0.668 -1.350 0.716) 1.667 11.140 ( 0.035 1.007 -0.510) 1.130 11.140 ( -0.035 1.007 0.510) 1.130 11.751 ( -1.698 -0.281 -1.641) 2.378 11.751 ( 1.698 -0.281 1.641) 2.378 12.129 ( -7.709 4.559 -1.941) 9.164 12.129 ( 7.709 4.559 1.941) 9.164 12.225 ( -7.941 -1.663 -1.884) 8.329 12.225 ( 7.941 -1.663 1.884) 8.329 13.496 ( -4.298 11.164 -5.849) 13.316 13.496 ( 4.298 11.164 5.849) 13.316 13.719 ( -3.405 -10.151 -3.848) 11.377 13.719 ( 3.405 -10.151 3.848) 11.377 14.678 ( -0.392 2.106 -1.018) 2.372 14.678 ( 0.392 2.106 1.018) 2.372 14.973 ( 0.245 0.623 -3.274) 3.342 14.973 ( -0.245 0.623 3.274) 3.342 16.117 ( 1.114 0.494 -3.207) 3.431 16.117 ( -1.114 0.494 3.207) 3.431 16.617 ( -1.293 0.303 -0.744) 1.522 16.617 ( 1.293 0.303 0.744) 1.522 16.797 ( -1.551 -0.704 -3.376) 3.782 16.797 ( 1.551 -0.704 3.376) 3.782 17.200 ( 1.358 -2.457 -1.165) 3.039 17.200 ( -1.358 -2.457 1.165) 3.039 18.543 ( 0.938 2.691 -4.324) 5.178 18.543 ( -0.938 2.691 4.324) 5.178 18.613 ( 0.960 -3.033 -4.421) 5.447 18.613 ( -0.960 -3.033 4.421) 5.447 ======================= Grid point 205 (98/100) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -1.710 6.470 4.238) 7.921 1.857 ( 2.003 -1.032 1.540) 2.730 2.117 ( -1.616 6.458 -5.985) 8.952 2.251 ( -1.674 -3.392 -1.144) 3.952 2.434 ( 0.196 -0.941 -3.189) 3.331 2.518 ( 3.223 -6.699 0.814) 7.478 2.727 ( 0.768 2.902 0.904) 3.135 2.800 ( 4.455 0.026 2.677) 5.197 2.897 ( 3.082 7.399 2.429) 8.376 3.142 ( 8.535 -2.172 3.290) 9.401 3.251 ( -0.059 -6.861 0.258) 6.866 3.377 ( 2.253 -5.935 -0.377) 6.359 3.456 ( -0.199 3.928 5.930) 7.116 3.509 ( 4.948 -0.688 -0.215) 5.000 3.882 ( -2.458 4.780 -0.994) 5.466 3.966 ( 0.968 -0.199 4.824) 4.924 3.986 ( 0.976 -2.409 -7.913) 8.329 4.036 ( -0.765 -2.019 -1.290) 2.515 4.510 ( -3.388 10.328 -3.113) 11.306 4.650 ( -1.086 2.405 0.524) 2.691 4.698 ( -1.915 -4.491 3.549) 6.036 4.750 ( -1.625 -2.915 2.737) 4.316 4.945 ( 4.648 3.674 -1.620) 6.142 4.977 ( 6.999 -0.107 -6.840) 9.787 5.257 ( -4.993 6.787 5.416) 10.016 5.342 ( -1.719 -1.192 1.062) 2.346 5.549 ( -0.602 -1.173 -4.639) 4.823 5.589 ( 0.963 -5.251 0.212) 5.343 6.321 ( 2.954 0.659 -2.266) 3.780 6.327 ( 3.251 0.217 -0.526) 3.301 7.428 ( -0.379 2.361 0.584) 2.461 7.447 ( 0.400 0.706 0.960) 1.257 7.670 ( -1.993 3.233 -0.224) 3.805 7.700 ( -0.164 0.166 -0.963) 0.991 8.062 ( -4.858 2.730 0.791) 5.629 8.086 ( -4.112 0.535 -0.525) 4.180 8.847 ( -1.172 -0.551 2.018) 2.398 8.856 ( -0.626 -1.379 0.197) 1.527 8.990 ( -2.057 3.004 2.402) 4.362 9.005 ( -1.236 1.648 -1.173) 2.370 9.881 ( -0.726 -0.491 0.240) 0.909 9.886 ( -0.403 -1.026 -1.128) 1.577 10.452 ( -0.508 0.391 -1.097) 1.271 10.486 ( 0.604 -3.049 -2.690) 4.111 11.116 ( -1.619 2.361 2.600) 3.867 11.143 ( -0.486 -0.287 2.237) 2.307 11.626 ( -7.012 2.290 -4.835) 8.820 11.678 ( -6.575 -3.058 -2.636) 7.716 12.049 ( 0.855 5.128 2.766) 5.889 12.121 ( -0.186 -1.855 1.171) 2.201 12.426 ( 14.749 4.342 2.395) 15.560 12.491 ( 13.573 -2.127 1.519) 13.823 13.381 ( -4.414 11.212 -4.727) 12.943 13.571 ( -0.610 3.094 2.486) 4.016 13.634 ( -1.407 -4.123 -2.750) 5.152 13.780 ( 1.437 -8.254 1.812) 8.572 14.593 ( -5.777 4.447 0.659) 7.320 14.640 ( -4.561 -0.364 0.501) 4.603 14.967 ( -0.233 1.576 1.384) 2.110 14.988 ( 0.541 -0.458 1.291) 1.473 16.101 ( -0.935 1.862 2.863) 3.541 16.130 ( 0.994 -1.081 -2.837) 3.195 16.540 ( -6.660 2.790 -7.012) 10.065 16.594 ( -5.469 -2.622 -3.287) 6.899 16.753 ( 1.754 2.569 0.006) 3.111 16.825 ( 3.061 -4.397 1.121) 5.474 17.247 ( 3.843 0.180 4.558) 5.964 17.287 ( 4.765 -3.741 2.011) 6.384 18.525 ( -0.798 2.971 1.785) 3.557 18.557 ( 0.513 1.638 -2.256) 2.834 18.608 ( -0.264 -2.533 3.372) 4.226 18.626 ( 1.016 -2.582 -2.881) 4.000 ======================= Grid point 206 (99/100) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.589 6.676 3.635) 7.624 1.873 ( -1.184 -2.012 1.159) 2.607 2.083 ( -0.889 -1.262 -3.043) 3.412 2.168 ( -4.300 -9.231 -3.114) 10.649 2.486 ( 4.983 4.061 -3.082) 7.129 2.616 ( 1.901 -3.444 -1.200) 4.113 2.709 ( 3.812 5.401 4.449) 7.969 2.882 ( 1.315 -5.898 2.024) 6.373 3.025 ( 3.414 11.718 3.178) 12.612 3.229 ( -3.655 -6.129 -0.150) 7.138 3.289 ( 4.974 5.265 3.694) 8.131 3.436 ( 4.183 -4.110 -0.740) 5.911 3.556 ( 7.950 2.322 3.869) 9.141 3.631 ( 4.777 -3.990 2.522) 6.716 3.805 ( -2.717 9.273 -3.003) 10.119 3.950 ( -2.553 -5.149 -10.596) 12.054 3.995 ( 1.447 1.120 2.159) 2.830 4.048 ( 0.171 -4.712 5.848) 7.512 4.458 ( -0.586 7.034 -2.951) 7.650 4.577 ( -3.971 -4.006 -3.278) 6.524 4.714 ( 0.865 -0.290 1.888) 2.097 4.729 ( -0.841 -1.241 5.745) 5.937 4.994 ( 0.897 6.262 -4.820) 7.953 5.061 ( 0.372 -0.779 -5.356) 5.425 5.190 ( -0.917 7.646 5.768) 9.621 5.292 ( -2.843 -2.439 2.337) 4.415 5.548 ( 1.461 -0.134 -0.324) 1.502 5.604 ( 0.546 -5.351 -3.366) 6.345 6.391 ( 3.863 1.783 -2.883) 5.139 6.407 ( 3.646 0.391 -0.764) 3.746 7.415 ( -0.749 2.215 0.589) 2.411 7.442 ( -1.032 -0.177 -0.749) 1.288 7.656 ( 1.465 4.658 2.044) 5.293 7.716 ( 1.940 -1.484 1.533) 2.884 7.934 ( -7.010 3.143 -0.466) 7.696 7.960 ( -6.745 0.563 -1.715) 6.982 8.833 ( -0.351 -0.587 1.269) 1.442 8.843 ( -0.447 -1.559 0.211) 1.636 8.951 ( -2.048 2.793 2.791) 4.448 8.964 ( -2.005 1.603 -0.950) 2.737 9.864 ( -0.858 -0.188 0.998) 1.329 9.870 ( -0.615 -0.684 -2.000) 2.201 10.446 ( 0.208 0.323 -0.831) 0.916 10.478 ( -0.510 -2.941 -2.951) 4.197 11.102 ( -0.154 3.000 2.967) 4.222 11.138 ( -0.640 -0.374 2.326) 2.441 11.493 ( -3.758 1.233 -3.327) 5.168 11.539 ( -5.102 -3.291 -2.324) 6.501 12.112 ( 3.215 4.438 3.852) 6.698 12.159 ( 2.130 0.110 0.913) 2.321 12.696 ( 8.764 1.909 0.761) 9.002 12.730 ( 7.689 -1.394 -1.602) 7.977 13.327 ( 0.988 8.457 -0.352) 8.521 13.482 ( -4.438 -5.974 -1.126) 7.527 13.668 ( 2.153 5.625 0.423) 6.038 13.780 ( -1.836 -4.921 -0.316) 5.262 14.483 ( -3.719 3.786 0.469) 5.328 14.531 ( -4.910 -0.964 0.501) 5.029 14.971 ( -0.062 1.600 3.645) 3.981 14.995 ( -0.170 -0.802 0.035) 0.821 16.105 ( 0.717 2.579 3.719) 4.582 16.151 ( 1.707 -2.124 -1.173) 2.967 16.350 ( -7.479 2.986 -8.655) 11.822 16.413 ( -8.455 -3.385 -5.008) 10.393 16.849 ( 5.156 2.685 2.042) 6.162 16.914 ( 3.225 -3.684 1.916) 5.258 17.334 ( 3.028 0.175 2.110) 3.694 17.370 ( 2.106 -3.284 1.617) 4.223 18.522 ( 0.052 2.612 1.998) 3.288 18.551 ( -0.368 0.816 -1.915) 2.114 18.619 ( 0.316 -1.471 2.958) 3.319 18.636 ( 0.543 -2.081 -2.949) 3.650 ======================= Grid point 207 (100/100) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -2.778 3.149 -2.361) 4.818 1.819 ( 2.778 3.149 2.361) 4.818 2.088 ( -1.855 -8.126 -1.806) 8.528 2.088 ( 1.855 -8.126 1.806) 8.528 2.578 ( 2.681 6.887 -3.721) 8.274 2.578 ( -2.681 6.887 3.721) 8.274 2.865 ( -5.338 -7.293 0.341) 9.044 2.865 ( 5.338 -7.293 -0.341) 9.044 3.084 ( -4.842 3.952 -3.595) 7.210 3.084 ( 4.842 3.952 3.595) 7.210 3.443 ( -4.106 5.575 -5.772) 9.014 3.443 ( 4.106 5.575 5.772) 9.014 3.669 ( 0.531 -0.429 -4.545) 4.596 3.669 ( -0.531 -0.429 4.545) 4.596 3.844 ( -4.456 -1.569 -6.797) 8.278 3.844 ( 4.456 -1.569 6.797) 8.278 4.036 ( 2.131 -1.233 -3.120) 3.974 4.036 ( -2.131 -1.233 3.120) 3.974 4.483 ( -2.772 -0.237 -2.925) 4.037 4.483 ( 2.772 -0.237 2.925) 4.037 4.733 ( 0.097 -0.516 -2.986) 3.031 4.733 ( -0.097 -0.516 2.986) 3.031 5.006 ( 2.535 3.482 -3.654) 5.648 5.006 ( -2.535 3.482 3.654) 5.648 5.237 ( -1.813 2.816 0.282) 3.361 5.237 ( 1.813 2.816 -0.282) 3.361 5.588 ( -1.104 -3.478 -3.398) 4.986 5.588 ( 1.104 -3.478 3.398) 4.986 6.441 ( 0.568 1.702 -2.457) 3.042 6.441 ( -0.568 1.702 2.457) 3.042 7.415 ( -0.592 0.596 -1.536) 1.750 7.415 ( 0.592 0.596 1.536) 1.750 7.742 ( -4.142 1.469 -0.471) 4.420 7.742 ( 4.142 1.469 0.471) 4.420 7.834 ( -2.695 2.019 -0.798) 3.461 7.834 ( 2.695 2.019 0.798) 3.461 8.837 ( 0.063 -1.142 -1.369) 1.784 8.837 ( -0.063 -1.142 1.369) 1.784 8.933 ( 0.246 2.132 -3.435) 4.050 8.933 ( -0.246 2.132 3.435) 4.050 9.857 ( 0.272 -0.270 -2.862) 2.888 9.857 ( -0.272 -0.270 2.862) 2.888 10.457 ( -0.743 -1.307 -1.174) 1.908 10.457 ( 0.743 -1.307 1.174) 1.908 11.122 ( -1.016 1.778 -0.818) 2.205 11.122 ( 1.016 1.778 0.818) 2.205 11.464 ( -0.210 -1.768 -1.623) 2.409 11.464 ( 0.210 -1.768 1.623) 2.409 12.173 ( -0.994 2.938 -2.337) 3.884 12.173 ( 0.994 2.938 2.337) 3.884 12.792 ( -0.638 -0.760 -2.323) 2.526 12.792 ( 0.638 -0.760 2.323) 2.526 13.399 ( -3.899 2.105 -0.901) 4.521 13.399 ( 3.899 2.105 0.901) 4.521 13.718 ( -2.533 0.618 -0.712) 2.703 13.718 ( 2.533 0.618 0.712) 2.703 14.460 ( -0.287 0.585 -0.954) 1.155 14.460 ( 0.287 0.585 0.954) 1.155 14.984 ( 0.211 0.375 -4.884) 4.903 14.984 ( -0.211 0.375 4.884) 4.903 16.159 ( -2.253 1.722 -4.703) 5.491 16.159 ( 2.253 1.722 4.703) 5.491 16.264 ( -3.157 -1.774 -0.308) 3.635 16.264 ( 3.157 -1.774 0.308) 3.635 16.933 ( -1.499 -0.207 -0.423) 1.571 16.933 ( 1.499 -0.207 0.423) 1.571 17.382 ( 0.191 -1.704 -2.201) 2.791 17.382 ( -0.191 -1.704 2.201) 2.791 18.535 ( -0.157 1.624 -3.071) 3.478 18.535 ( 0.157 1.624 3.071) 3.478 18.632 ( 0.119 -1.586 -3.757) 4.079 18.632 ( -0.119 -1.586 3.757) 4.079 =================== 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 3/23328 10.0 1865.144 2263.589 2529.234 0.000 734.577 0.000 3/23328 20.0 177.471 246.978 259.984 0.000 42.593 0.000 3/23328 30.0 57.707 85.007 87.901 0.000 12.464 0.000 3/23328 40.0 29.892 45.490 45.927 0.000 6.111 0.000 3/23328 50.0 19.236 29.917 29.507 0.000 3.767 0.000 3/23328 60.0 13.897 21.922 21.232 0.000 2.632 0.000 3/23328 70.0 10.769 17.144 16.385 0.000 1.989 0.000 3/23328 80.0 8.745 14.005 13.254 0.000 1.584 0.000 3/23328 90.0 7.342 11.804 11.089 0.000 1.310 0.000 3/23328 100.0 6.320 10.185 9.516 0.000 1.114 0.000 3/23328 110.0 5.546 8.950 8.327 0.000 0.967 0.000 3/23328 120.0 4.942 7.980 7.400 0.000 0.855 0.000 3/23328 130.0 4.457 7.199 6.660 0.000 0.766 0.000 3/23328 140.0 4.062 6.559 6.055 0.000 0.694 0.000 3/23328 150.0 3.732 6.024 5.553 0.000 0.634 0.000 3/23328 160.0 3.453 5.571 5.130 0.000 0.584 0.000 3/23328 170.0 3.215 5.182 4.768 0.000 0.542 0.000 3/23328 180.0 3.009 4.846 4.456 0.000 0.505 0.000 3/23328 190.0 2.828 4.551 4.183 0.000 0.474 0.000 3/23328 200.0 2.669 4.291 3.943 0.000 0.446 0.000 3/23328 210.0 2.527 4.060 3.730 0.000 0.421 0.000 3/23328 220.0 2.400 3.853 3.540 0.000 0.399 0.000 3/23328 230.0 2.286 3.667 3.369 0.000 0.380 0.000 3/23328 240.0 2.182 3.498 3.215 0.000 0.362 0.000 3/23328 250.0 2.088 3.345 3.074 0.000 0.346 0.000 3/23328 260.0 2.002 3.204 2.946 0.000 0.331 0.000 3/23328 270.0 1.923 3.076 2.828 0.000 0.317 0.000 3/23328 280.0 1.850 2.957 2.720 0.000 0.305 0.000 3/23328 290.0 1.782 2.848 2.620 0.000 0.294 0.000 3/23328 300.0 1.720 2.746 2.527 0.000 0.283 0.000 3/23328 310.0 1.662 2.652 2.441 0.000 0.273 0.000 3/23328 320.0 1.607 2.564 2.361 0.000 0.264 0.000 3/23328 330.0 1.557 2.482 2.286 0.000 0.256 0.000 3/23328 340.0 1.509 2.405 2.216 0.000 0.248 0.000 3/23328 350.0 1.464 2.333 2.150 0.000 0.240 0.000 3/23328 360.0 1.422 2.265 2.088 0.000 0.233 0.000 3/23328 370.0 1.382 2.201 2.029 0.000 0.226 0.000 3/23328 380.0 1.345 2.141 1.974 0.000 0.220 0.000 3/23328 390.0 1.309 2.083 1.922 0.000 0.214 0.000 3/23328 400.0 1.276 2.029 1.872 0.000 0.209 0.000 3/23328 410.0 1.244 1.978 1.825 0.000 0.203 0.000 3/23328 420.0 1.213 1.929 1.781 0.000 0.198 0.000 3/23328 430.0 1.185 1.883 1.738 0.000 0.194 0.000 3/23328 440.0 1.157 1.839 1.698 0.000 0.189 0.000 3/23328 450.0 1.131 1.796 1.659 0.000 0.185 0.000 3/23328 460.0 1.106 1.756 1.622 0.000 0.180 0.000 3/23328 470.0 1.082 1.718 1.587 0.000 0.176 0.000 3/23328 480.0 1.059 1.681 1.553 0.000 0.173 0.000 3/23328 490.0 1.037 1.646 1.521 0.000 0.169 0.000 3/23328 500.0 1.016 1.612 1.490 0.000 0.166 0.000 3/23328 510.0 0.995 1.580 1.460 0.000 0.162 0.000 3/23328 520.0 0.976 1.549 1.432 0.000 0.159 0.000 3/23328 530.0 0.957 1.519 1.404 0.000 0.156 0.000 3/23328 540.0 0.939 1.490 1.378 0.000 0.153 0.000 3/23328 550.0 0.922 1.462 1.353 0.000 0.150 0.000 3/23328 560.0 0.905 1.436 1.328 0.000 0.147 0.000 3/23328 570.0 0.889 1.410 1.304 0.000 0.145 0.000 3/23328 580.0 0.874 1.385 1.282 0.000 0.142 0.000 3/23328 590.0 0.859 1.361 1.260 0.000 0.140 0.000 3/23328 600.0 0.844 1.338 1.238 0.000 0.137 0.000 3/23328 610.0 0.830 1.316 1.218 0.000 0.135 0.000 3/23328 620.0 0.817 1.294 1.198 0.000 0.133 0.000 3/23328 630.0 0.804 1.274 1.179 0.000 0.131 0.000 3/23328 640.0 0.791 1.253 1.160 0.000 0.129 0.000 3/23328 650.0 0.779 1.234 1.142 0.000 0.127 0.000 3/23328 660.0 0.767 1.215 1.125 0.000 0.125 0.000 3/23328 670.0 0.755 1.197 1.108 0.000 0.123 0.000 3/23328 680.0 0.744 1.179 1.091 0.000 0.121 0.000 3/23328 690.0 0.733 1.161 1.076 0.000 0.119 0.000 3/23328 700.0 0.723 1.145 1.060 0.000 0.117 0.000 3/23328 710.0 0.712 1.128 1.045 0.000 0.116 0.000 3/23328 720.0 0.702 1.112 1.030 0.000 0.114 0.000 3/23328 730.0 0.693 1.097 1.016 0.000 0.113 0.000 3/23328 740.0 0.683 1.082 1.002 0.000 0.111 0.000 3/23328 750.0 0.674 1.067 0.989 0.000 0.110 0.000 3/23328 760.0 0.665 1.053 0.976 0.000 0.108 0.000 3/23328 770.0 0.656 1.039 0.963 0.000 0.107 0.000 3/23328 780.0 0.648 1.026 0.951 0.000 0.105 0.000 3/23328 790.0 0.640 1.013 0.938 0.000 0.104 0.000 3/23328 800.0 0.632 1.000 0.927 0.000 0.103 0.000 3/23328 810.0 0.624 0.988 0.915 0.000 0.101 0.000 3/23328 820.0 0.616 0.975 0.904 0.000 0.100 0.000 3/23328 830.0 0.609 0.964 0.893 0.000 0.099 0.000 3/23328 840.0 0.601 0.952 0.882 0.000 0.098 0.000 3/23328 850.0 0.594 0.941 0.872 0.000 0.096 0.000 3/23328 860.0 0.587 0.930 0.862 0.000 0.095 0.000 3/23328 870.0 0.581 0.919 0.852 0.000 0.094 0.000 3/23328 880.0 0.574 0.908 0.842 0.000 0.093 0.000 3/23328 890.0 0.567 0.898 0.833 0.000 0.092 0.000 3/23328 900.0 0.561 0.888 0.823 0.000 0.091 0.000 3/23328 910.0 0.555 0.878 0.814 0.000 0.090 0.000 3/23328 920.0 0.549 0.869 0.805 0.000 0.089 0.000 3/23328 930.0 0.543 0.859 0.797 0.000 0.088 0.000 3/23328 940.0 0.537 0.850 0.788 0.000 0.087 0.000 3/23328 950.0 0.532 0.841 0.780 0.000 0.086 0.000 3/23328 960.0 0.526 0.832 0.772 0.000 0.085 0.000 3/23328 970.0 0.521 0.823 0.764 0.000 0.084 0.000 3/23328 980.0 0.515 0.815 0.756 0.000 0.084 0.000 3/23328 990.0 0.510 0.807 0.748 0.000 0.083 0.000 3/23328 1000.0 0.505 0.799 0.741 0.000 0.082 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m696.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|