----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:57:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.896458885677839 -3.667720960000001 0.000000000000000 b 7.896458885677839 3.667720960000001 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): *1 B 0.84706218398819 0.38589091244323 0.34761042678194 10.811 2 B 0.61410908755677 0.15293781601181 0.15238957321806 10.811 3 B 0.15293781601181 0.61410908755677 0.65238957321806 10.811 4 B 0.38589091244323 0.84706218398819 0.84761042678194 10.811 *5 Se 0.42696127574582 0.83108364889328 0.01691767976524 78.960 6 Se 0.16891635110672 0.57303872425418 0.48308232023476 78.960 7 Se 0.57303872425418 0.16891635110672 0.98308232023476 78.960 8 Se 0.83108364889328 0.42696127574582 0.51691767976524 78.960 *9 Se 0.60572197716947 0.85179613720640 0.83292476682526 78.960 10 Se 0.14820386279360 0.39427802283053 0.66707523317474 78.960 11 Se 0.39427802283053 0.14820386279360 0.16707523317474 78.960 12 Se 0.85179613720640 0.60572197716947 0.33292476682526 78.960 *13 Se 0.09773997446971 0.06599384271843 0.76780478604382 78.960 14 Se 0.93400615728157 0.90226002553029 0.73219521395618 78.960 15 Se 0.90226002553029 0.93400615728157 0.23219521395618 78.960 16 Se 0.06599384271843 0.09773997446971 0.26780478604382 78.960 *17 Se 0.45057535769113 0.54942464230887 0.75000000000000 78.960 18 Se 0.54942464230887 0.45057535769113 0.25000000000000 78.960 *19 Rb 0.32987394628975 0.87884368808252 0.52018934807630 85.468 20 Rb 0.12115631191748 0.67012605371025 0.97981065192370 85.468 21 Rb 0.67012605371025 0.12115631191748 0.47981065192370 85.468 22 Rb 0.87884368808252 0.32987394628975 0.02018934807630 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.792917771355677 0.000000000000000 0.000000000000000 b 0.000000000000000 7.335441920000002 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): *1 B 0.11647654821571 0.26941436422752 0.34761042678194 10.811 > 1 2 B 0.88352345178429 0.26941436422752 0.15238957321806 10.811 > 2 3 B 0.88352345178429 0.73058563577248 0.65238957321806 10.811 > 3 4 B 0.11647654821571 0.73058563577248 0.84761042678194 10.811 > 4 5 B 0.61647654821571 0.76941436422752 0.34761042678194 10.811 > 1 6 B 0.38352345178429 0.76941436422752 0.15238957321806 10.811 > 2 7 B 0.38352345178429 0.23058563577248 0.65238957321806 10.811 > 3 8 B 0.61647654821571 0.23058563577248 0.84761042678194 10.811 > 4 *9 Se 0.62902246231955 0.20206118657373 0.01691767976524 78.960 > 5 10 Se 0.87097753768045 0.70206118657373 0.48308232023476 78.960 > 6 11 Se 0.37097753768045 0.79793881342627 0.98308232023476 78.960 > 7 12 Se 0.12902246231955 0.29793881342627 0.51691767976524 78.960 > 8 *13 Se 0.22875905718793 0.62303708001847 0.83292476682526 78.960 > 9 14 Se 0.27124094281207 0.12303708001847 0.66707523317474 78.960 > 10 15 Se 0.77124094281207 0.37696291998153 0.16707523317474 78.960 > 11 16 Se 0.72875905718793 0.87696291998153 0.33292476682526 78.960 > 12 *17 Se 0.08186690859407 0.98412693412436 0.76780478604382 78.960 > 13 18 Se 0.91813309140593 0.98412693412436 0.73219521395618 78.960 > 14 19 Se 0.91813309140593 0.01587306587564 0.23219521395618 78.960 > 15 20 Se 0.08186690859407 0.01587306587564 0.26780478604382 78.960 > 16 *21 Se 0.00000000000000 0.54942464230887 0.75000000000000 78.960 > 17 22 Se 0.00000000000000 0.45057535769113 0.25000000000000 78.960 > 18 23 Se 0.12902246231955 0.70206118657373 0.01691767976524 78.960 > 5 24 Se 0.37097753768045 0.20206118657373 0.48308232023476 78.960 > 6 25 Se 0.87097753768045 0.29793881342627 0.98308232023476 78.960 > 7 26 Se 0.62902246231955 0.79793881342627 0.51691767976524 78.960 > 8 27 Se 0.72875905718793 0.12303708001847 0.83292476682526 78.960 > 9 28 Se 0.77124094281207 0.62303708001847 0.66707523317474 78.960 > 10 29 Se 0.27124094281207 0.87696291998153 0.16707523317474 78.960 > 11 30 Se 0.22875905718793 0.37696291998153 0.33292476682526 78.960 > 12 31 Se 0.58186690859407 0.48412693412436 0.76780478604382 78.960 > 13 32 Se 0.41813309140593 0.48412693412436 0.73219521395618 78.960 > 14 33 Se 0.41813309140593 0.51587306587564 0.23219521395618 78.960 > 15 34 Se 0.58186690859407 0.51587306587564 0.26780478604382 78.960 > 16 35 Se 0.50000000000000 0.04942464230887 0.75000000000000 78.960 > 17 36 Se 0.50000000000000 0.95057535769113 0.25000000000000 78.960 > 18 *37 Rb 0.10435881718613 0.77448487089638 0.52018934807630 85.468 > 19 38 Rb 0.39564118281387 0.27448487089639 0.97981065192370 85.468 > 20 39 Rb 0.89564118281387 0.22551512910361 0.47981065192370 85.468 > 21 40 Rb 0.60435881718613 0.72551512910362 0.02018934807630 85.468 > 22 41 Rb 0.60435881718613 0.27448487089639 0.52018934807630 85.468 > 19 42 Rb 0.89564118281387 0.77448487089638 0.97981065192370 85.468 > 20 43 Rb 0.39564118281387 0.72551512910362 0.47981065192370 85.468 > 21 44 Rb 0.10435881718613 0.22551512910361 0.02018934807630 85.468 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.792917771355677 0.000000000000000 0.000000000000000 b 0.000000000000000 14.670883840000004 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): *1 B 0.11647654821571 0.13470718211376 0.34761042678194 10.811 > 1 2 B 0.11647654821571 0.63470718211376 0.34761042678194 10.811 > 1 3 B 0.88352345178429 0.13470718211376 0.15238957321806 10.811 > 2 4 B 0.88352345178429 0.63470718211376 0.15238957321806 10.811 > 2 5 B 0.88352345178429 0.36529281788624 0.65238957321806 10.811 > 3 6 B 0.88352345178429 0.86529281788624 0.65238957321806 10.811 > 3 7 B 0.11647654821571 0.36529281788624 0.84761042678194 10.811 > 4 8 B 0.11647654821571 0.86529281788624 0.84761042678194 10.811 > 4 9 B 0.61647654821571 0.38470718211376 0.34761042678194 10.811 > 1 10 B 0.61647654821571 0.88470718211376 0.34761042678194 10.811 > 1 11 B 0.38352345178429 0.38470718211376 0.15238957321806 10.811 > 2 12 B 0.38352345178429 0.88470718211376 0.15238957321806 10.811 > 2 13 B 0.38352345178429 0.11529281788624 0.65238957321806 10.811 > 3 14 B 0.38352345178429 0.61529281788624 0.65238957321806 10.811 > 3 15 B 0.61647654821571 0.11529281788624 0.84761042678194 10.811 > 4 16 B 0.61647654821571 0.61529281788624 0.84761042678194 10.811 > 4 *17 Se 0.62902246231955 0.10103059328686 0.01691767976524 78.960 > 5 18 Se 0.62902246231955 0.60103059328686 0.01691767976524 78.960 > 5 19 Se 0.87097753768045 0.35103059328686 0.48308232023476 78.960 > 6 20 Se 0.87097753768045 0.85103059328686 0.48308232023476 78.960 > 6 21 Se 0.37097753768045 0.39896940671314 0.98308232023476 78.960 > 7 22 Se 0.37097753768045 0.89896940671314 0.98308232023476 78.960 > 7 23 Se 0.12902246231955 0.14896940671314 0.51691767976524 78.960 > 8 24 Se 0.12902246231955 0.64896940671314 0.51691767976524 78.960 > 8 *25 Se 0.22875905718793 0.31151854000923 0.83292476682526 78.960 > 9 26 Se 0.22875905718793 0.81151854000923 0.83292476682526 78.960 > 9 27 Se 0.27124094281207 0.06151854000923 0.66707523317474 78.960 > 10 28 Se 0.27124094281207 0.56151854000923 0.66707523317474 78.960 > 10 29 Se 0.77124094281207 0.18848145999077 0.16707523317474 78.960 > 11 30 Se 0.77124094281207 0.68848145999077 0.16707523317474 78.960 > 11 31 Se 0.72875905718793 0.43848145999077 0.33292476682526 78.960 > 12 32 Se 0.72875905718793 0.93848145999077 0.33292476682526 78.960 > 12 *33 Se 0.08186690859407 0.49206346706218 0.76780478604382 78.960 > 13 34 Se 0.08186690859407 0.99206346706218 0.76780478604382 78.960 > 13 35 Se 0.91813309140593 0.49206346706218 0.73219521395618 78.960 > 14 36 Se 0.91813309140593 0.99206346706218 0.73219521395618 78.960 > 14 37 Se 0.91813309140593 0.00793653293782 0.23219521395618 78.960 > 15 38 Se 0.91813309140593 0.50793653293782 0.23219521395618 78.960 > 15 39 Se 0.08186690859407 0.00793653293782 0.26780478604382 78.960 > 16 40 Se 0.08186690859407 0.50793653293782 0.26780478604382 78.960 > 16 *41 Se 0.00000000000000 0.27471232115443 0.75000000000000 78.960 > 17 42 Se 0.00000000000000 0.77471232115443 0.75000000000000 78.960 > 17 43 Se 0.00000000000000 0.22528767884557 0.25000000000000 78.960 > 18 44 Se 0.00000000000000 0.72528767884557 0.25000000000000 78.960 > 18 45 Se 0.12902246231955 0.35103059328686 0.01691767976524 78.960 > 5 46 Se 0.12902246231955 0.85103059328686 0.01691767976524 78.960 > 5 47 Se 0.37097753768045 0.10103059328686 0.48308232023476 78.960 > 6 48 Se 0.37097753768045 0.60103059328686 0.48308232023476 78.960 > 6 49 Se 0.87097753768045 0.14896940671314 0.98308232023476 78.960 > 7 50 Se 0.87097753768045 0.64896940671314 0.98308232023476 78.960 > 7 51 Se 0.62902246231955 0.39896940671314 0.51691767976524 78.960 > 8 52 Se 0.62902246231955 0.89896940671314 0.51691767976524 78.960 > 8 53 Se 0.72875905718793 0.06151854000923 0.83292476682526 78.960 > 9 54 Se 0.72875905718793 0.56151854000923 0.83292476682526 78.960 > 9 55 Se 0.77124094281207 0.31151854000923 0.66707523317474 78.960 > 10 56 Se 0.77124094281207 0.81151854000923 0.66707523317474 78.960 > 10 57 Se 0.27124094281207 0.43848145999077 0.16707523317474 78.960 > 11 58 Se 0.27124094281207 0.93848145999077 0.16707523317474 78.960 > 11 59 Se 0.22875905718793 0.18848145999077 0.33292476682526 78.960 > 12 60 Se 0.22875905718793 0.68848145999077 0.33292476682526 78.960 > 12 61 Se 0.58186690859407 0.24206346706218 0.76780478604382 78.960 > 13 62 Se 0.58186690859407 0.74206346706218 0.76780478604382 78.960 > 13 63 Se 0.41813309140593 0.24206346706218 0.73219521395618 78.960 > 14 64 Se 0.41813309140593 0.74206346706218 0.73219521395618 78.960 > 14 65 Se 0.41813309140593 0.25793653293782 0.23219521395618 78.960 > 15 66 Se 0.41813309140593 0.75793653293782 0.23219521395618 78.960 > 15 67 Se 0.58186690859407 0.25793653293782 0.26780478604382 78.960 > 16 68 Se 0.58186690859407 0.75793653293782 0.26780478604382 78.960 > 16 69 Se 0.50000000000000 0.02471232115443 0.75000000000000 78.960 > 17 70 Se 0.50000000000000 0.52471232115443 0.75000000000000 78.960 > 17 71 Se 0.50000000000000 0.47528767884557 0.25000000000000 78.960 > 18 72 Se 0.50000000000000 0.97528767884557 0.25000000000000 78.960 > 18 *73 Rb 0.10435881718613 0.38724243544819 0.52018934807630 85.468 > 19 74 Rb 0.10435881718613 0.88724243544819 0.52018934807630 85.468 > 19 75 Rb 0.39564118281387 0.13724243544819 0.97981065192370 85.468 > 20 76 Rb 0.39564118281387 0.63724243544819 0.97981065192370 85.468 > 20 77 Rb 0.89564118281387 0.11275756455181 0.47981065192370 85.468 > 21 78 Rb 0.89564118281387 0.61275756455181 0.47981065192370 85.468 > 21 79 Rb 0.60435881718613 0.36275756455181 0.02018934807630 85.468 > 22 80 Rb 0.60435881718613 0.86275756455181 0.02018934807630 85.468 > 22 81 Rb 0.60435881718613 0.13724243544819 0.52018934807630 85.468 > 19 82 Rb 0.60435881718613 0.63724243544819 0.52018934807630 85.468 > 19 83 Rb 0.89564118281387 0.38724243544819 0.97981065192370 85.468 > 20 84 Rb 0.89564118281387 0.88724243544819 0.97981065192370 85.468 > 20 85 Rb 0.39564118281387 0.36275756455181 0.47981065192370 85.468 > 21 86 Rb 0.39564118281387 0.86275756455181 0.47981065192370 85.468 > 21 87 Rb 0.10435881718613 0.11275756455181 0.02018934807630 85.468 > 22 88 Rb 0.10435881718613 0.61275756455181 0.02018934807630 85.468 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5006981 0.0000000 1.4169883 0.0000000 3.9546273 0.0000000 1.4169832 0.0000000 6.1033209 -------------------------- Born effective charges -------------------------- 1 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 2 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 3 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 4 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 5 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 6 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 7 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 8 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 9 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 10 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 11 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 12 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 13 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 14 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 15 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 16 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 17 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 18 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 19 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 20 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 21 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 22 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.623 Solver_block: 200 / 720 - Time: 0.580 Solver_block: 300 / 720 - Time: 0.571 Solver_block: 400 / 720 - Time: 0.575 Solver_block: 500 / 720 - Time: 0.570 Solver_block: 600 / 720 - Time: 0.573 Solver_block: 700 / 720 - Time: 0.587 Solver_block: 720 / 720 - Time: 0.211 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.364 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), 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 01:58:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:58:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.896458885677839 -3.667720960000001 0.000000000000000 b 7.896458885677839 3.667720960000001 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): 1 B 0.84706218398819 0.38589091244323 0.34761042678194 10.811 2 B 0.61410908755677 0.15293781601181 0.15238957321806 10.811 3 B 0.15293781601181 0.61410908755677 0.65238957321806 10.811 4 B 0.38589091244323 0.84706218398819 0.84761042678194 10.811 5 Se 0.42696127574582 0.83108364889328 0.01691767976524 78.960 6 Se 0.16891635110672 0.57303872425418 0.48308232023476 78.960 7 Se 0.57303872425418 0.16891635110672 0.98308232023476 78.960 8 Se 0.83108364889328 0.42696127574582 0.51691767976524 78.960 9 Se 0.60572197716947 0.85179613720640 0.83292476682526 78.960 10 Se 0.14820386279360 0.39427802283053 0.66707523317474 78.960 11 Se 0.39427802283053 0.14820386279360 0.16707523317474 78.960 12 Se 0.85179613720640 0.60572197716947 0.33292476682526 78.960 13 Se 0.09773997446971 0.06599384271843 0.76780478604382 78.960 14 Se 0.93400615728157 0.90226002553029 0.73219521395618 78.960 15 Se 0.90226002553029 0.93400615728157 0.23219521395618 78.960 16 Se 0.06599384271843 0.09773997446971 0.26780478604382 78.960 17 Se 0.45057535769113 0.54942464230887 0.75000000000000 78.960 18 Se 0.54942464230887 0.45057535769113 0.25000000000000 78.960 19 Rb 0.32987394628975 0.87884368808252 0.52018934807630 85.468 20 Rb 0.12115631191748 0.67012605371025 0.97981065192370 85.468 21 Rb 0.67012605371025 0.12115631191748 0.47981065192370 85.468 22 Rb 0.87884368808252 0.32987394628975 0.02018934807630 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.792917771355677 0.000000000000000 0.000000000000000 b 0.000000000000000 14.670883840000004 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): 1 B 0.11647654821571 0.13470718211376 0.34761042678194 10.811 > 1 2 B 0.11647654821571 0.63470718211376 0.34761042678194 10.811 > 1 3 B 0.88352345178429 0.13470718211376 0.15238957321806 10.811 > 3 4 B 0.88352345178429 0.63470718211376 0.15238957321806 10.811 > 3 5 B 0.88352345178429 0.36529281788624 0.65238957321806 10.811 > 5 6 B 0.88352345178429 0.86529281788624 0.65238957321806 10.811 > 5 7 B 0.11647654821571 0.36529281788624 0.84761042678194 10.811 > 7 8 B 0.11647654821571 0.86529281788624 0.84761042678194 10.811 > 7 9 B 0.61647654821571 0.38470718211376 0.34761042678194 10.811 > 1 10 B 0.61647654821571 0.88470718211376 0.34761042678194 10.811 > 1 11 B 0.38352345178429 0.38470718211376 0.15238957321806 10.811 > 3 12 B 0.38352345178429 0.88470718211376 0.15238957321806 10.811 > 3 13 B 0.38352345178429 0.11529281788624 0.65238957321806 10.811 > 5 14 B 0.38352345178429 0.61529281788624 0.65238957321806 10.811 > 5 15 B 0.61647654821571 0.11529281788624 0.84761042678194 10.811 > 7 16 B 0.61647654821571 0.61529281788624 0.84761042678194 10.811 > 7 17 Se 0.62902246231955 0.10103059328686 0.01691767976524 78.960 > 17 18 Se 0.62902246231955 0.60103059328686 0.01691767976524 78.960 > 17 19 Se 0.87097753768045 0.35103059328686 0.48308232023476 78.960 > 19 20 Se 0.87097753768045 0.85103059328686 0.48308232023476 78.960 > 19 21 Se 0.37097753768045 0.39896940671314 0.98308232023476 78.960 > 21 22 Se 0.37097753768045 0.89896940671314 0.98308232023476 78.960 > 21 23 Se 0.12902246231955 0.14896940671314 0.51691767976524 78.960 > 23 24 Se 0.12902246231955 0.64896940671314 0.51691767976524 78.960 > 23 25 Se 0.22875905718793 0.31151854000923 0.83292476682526 78.960 > 25 26 Se 0.22875905718793 0.81151854000923 0.83292476682526 78.960 > 25 27 Se 0.27124094281207 0.06151854000923 0.66707523317474 78.960 > 27 28 Se 0.27124094281207 0.56151854000923 0.66707523317474 78.960 > 27 29 Se 0.77124094281207 0.18848145999077 0.16707523317474 78.960 > 29 30 Se 0.77124094281207 0.68848145999077 0.16707523317474 78.960 > 29 31 Se 0.72875905718793 0.43848145999077 0.33292476682526 78.960 > 31 32 Se 0.72875905718793 0.93848145999077 0.33292476682526 78.960 > 31 33 Se 0.08186690859407 0.49206346706218 0.76780478604382 78.960 > 33 34 Se 0.08186690859407 0.99206346706218 0.76780478604382 78.960 > 33 35 Se 0.91813309140593 0.49206346706218 0.73219521395618 78.960 > 35 36 Se 0.91813309140593 0.99206346706218 0.73219521395618 78.960 > 35 37 Se 0.91813309140593 0.00793653293782 0.23219521395618 78.960 > 37 38 Se 0.91813309140593 0.50793653293782 0.23219521395618 78.960 > 37 39 Se 0.08186690859407 0.00793653293782 0.26780478604382 78.960 > 39 40 Se 0.08186690859407 0.50793653293782 0.26780478604382 78.960 > 39 41 Se 0.00000000000000 0.27471232115443 0.75000000000000 78.960 > 41 42 Se 0.00000000000000 0.77471232115443 0.75000000000000 78.960 > 41 43 Se 0.00000000000000 0.22528767884557 0.25000000000000 78.960 > 43 44 Se 0.00000000000000 0.72528767884557 0.25000000000000 78.960 > 43 45 Se 0.12902246231955 0.35103059328686 0.01691767976524 78.960 > 17 46 Se 0.12902246231955 0.85103059328686 0.01691767976524 78.960 > 17 47 Se 0.37097753768045 0.10103059328686 0.48308232023476 78.960 > 19 48 Se 0.37097753768045 0.60103059328686 0.48308232023476 78.960 > 19 49 Se 0.87097753768045 0.14896940671314 0.98308232023476 78.960 > 21 50 Se 0.87097753768045 0.64896940671314 0.98308232023476 78.960 > 21 51 Se 0.62902246231955 0.39896940671314 0.51691767976524 78.960 > 23 52 Se 0.62902246231955 0.89896940671314 0.51691767976524 78.960 > 23 53 Se 0.72875905718793 0.06151854000923 0.83292476682526 78.960 > 25 54 Se 0.72875905718793 0.56151854000923 0.83292476682526 78.960 > 25 55 Se 0.77124094281207 0.31151854000923 0.66707523317474 78.960 > 27 56 Se 0.77124094281207 0.81151854000923 0.66707523317474 78.960 > 27 57 Se 0.27124094281207 0.43848145999077 0.16707523317474 78.960 > 29 58 Se 0.27124094281207 0.93848145999077 0.16707523317474 78.960 > 29 59 Se 0.22875905718793 0.18848145999077 0.33292476682526 78.960 > 31 60 Se 0.22875905718793 0.68848145999077 0.33292476682526 78.960 > 31 61 Se 0.58186690859407 0.24206346706218 0.76780478604382 78.960 > 33 62 Se 0.58186690859407 0.74206346706218 0.76780478604382 78.960 > 33 63 Se 0.41813309140593 0.24206346706218 0.73219521395618 78.960 > 35 64 Se 0.41813309140593 0.74206346706218 0.73219521395618 78.960 > 35 65 Se 0.41813309140593 0.25793653293782 0.23219521395618 78.960 > 37 66 Se 0.41813309140593 0.75793653293782 0.23219521395618 78.960 > 37 67 Se 0.58186690859407 0.25793653293782 0.26780478604382 78.960 > 39 68 Se 0.58186690859407 0.75793653293782 0.26780478604382 78.960 > 39 69 Se 0.50000000000000 0.02471232115443 0.75000000000000 78.960 > 41 70 Se 0.50000000000000 0.52471232115443 0.75000000000000 78.960 > 41 71 Se 0.50000000000000 0.47528767884557 0.25000000000000 78.960 > 43 72 Se 0.50000000000000 0.97528767884557 0.25000000000000 78.960 > 43 73 Rb 0.10435881718613 0.38724243544819 0.52018934807630 85.468 > 73 74 Rb 0.10435881718613 0.88724243544819 0.52018934807630 85.468 > 73 75 Rb 0.39564118281387 0.13724243544819 0.97981065192370 85.468 > 75 76 Rb 0.39564118281387 0.63724243544819 0.97981065192370 85.468 > 75 77 Rb 0.89564118281387 0.11275756455181 0.47981065192370 85.468 > 77 78 Rb 0.89564118281387 0.61275756455181 0.47981065192370 85.468 > 77 79 Rb 0.60435881718613 0.36275756455181 0.02018934807630 85.468 > 79 80 Rb 0.60435881718613 0.86275756455181 0.02018934807630 85.468 > 79 81 Rb 0.60435881718613 0.13724243544819 0.52018934807630 85.468 > 73 82 Rb 0.60435881718613 0.63724243544819 0.52018934807630 85.468 > 73 83 Rb 0.89564118281387 0.38724243544819 0.97981065192370 85.468 > 75 84 Rb 0.89564118281387 0.88724243544819 0.97981065192370 85.468 > 75 85 Rb 0.39564118281387 0.36275756455181 0.47981065192370 85.468 > 77 86 Rb 0.39564118281387 0.86275756455181 0.47981065192370 85.468 > 77 87 Rb 0.10435881718613 0.11275756455181 0.02018934807630 85.468 > 79 88 Rb 0.10435881718613 0.61275756455181 0.02018934807630 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5006981 0.0000000 1.4169883 0.0000000 3.9546273 0.0000000 1.4169832 0.0000000 6.1033209 -------------------------- Born effective charges -------------------------- 1 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 2 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 3 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 4 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 5 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 6 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 7 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 8 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 9 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 10 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 11 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 12 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 13 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 14 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 15 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 16 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 17 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 18 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 19 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 20 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 21 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 22 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 73, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 01:58:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:58:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.896458885677839 -3.667720960000001 0.000000000000000 b 7.896458885677839 3.667720960000001 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): 1 B 0.84706218398819 0.38589091244323 0.34761042678194 10.811 2 B 0.61410908755677 0.15293781601181 0.15238957321806 10.811 3 B 0.15293781601181 0.61410908755677 0.65238957321806 10.811 4 B 0.38589091244323 0.84706218398819 0.84761042678194 10.811 5 Se 0.42696127574582 0.83108364889328 0.01691767976524 78.960 6 Se 0.16891635110672 0.57303872425418 0.48308232023476 78.960 7 Se 0.57303872425418 0.16891635110672 0.98308232023476 78.960 8 Se 0.83108364889328 0.42696127574582 0.51691767976524 78.960 9 Se 0.60572197716947 0.85179613720640 0.83292476682526 78.960 10 Se 0.14820386279360 0.39427802283053 0.66707523317474 78.960 11 Se 0.39427802283053 0.14820386279360 0.16707523317474 78.960 12 Se 0.85179613720640 0.60572197716947 0.33292476682526 78.960 13 Se 0.09773997446971 0.06599384271843 0.76780478604382 78.960 14 Se 0.93400615728157 0.90226002553029 0.73219521395618 78.960 15 Se 0.90226002553029 0.93400615728157 0.23219521395618 78.960 16 Se 0.06599384271843 0.09773997446971 0.26780478604382 78.960 17 Se 0.45057535769113 0.54942464230887 0.75000000000000 78.960 18 Se 0.54942464230887 0.45057535769113 0.25000000000000 78.960 19 Rb 0.32987394628975 0.87884368808252 0.52018934807630 85.468 20 Rb 0.12115631191748 0.67012605371025 0.97981065192370 85.468 21 Rb 0.67012605371025 0.12115631191748 0.47981065192370 85.468 22 Rb 0.87884368808252 0.32987394628975 0.02018934807630 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.792917771355677 0.000000000000000 0.000000000000000 b 0.000000000000000 14.670883840000004 0.000000000000000 c -6.625648550839458 0.000000000000000 10.651975344856830 Atomic positions (fractional): 1 B 0.11647654821571 0.13470718211376 0.34761042678194 10.811 > 1 2 B 0.11647654821571 0.63470718211376 0.34761042678194 10.811 > 1 3 B 0.88352345178429 0.13470718211376 0.15238957321806 10.811 > 3 4 B 0.88352345178429 0.63470718211376 0.15238957321806 10.811 > 3 5 B 0.88352345178429 0.36529281788624 0.65238957321806 10.811 > 5 6 B 0.88352345178429 0.86529281788624 0.65238957321806 10.811 > 5 7 B 0.11647654821571 0.36529281788624 0.84761042678194 10.811 > 7 8 B 0.11647654821571 0.86529281788624 0.84761042678194 10.811 > 7 9 B 0.61647654821571 0.38470718211376 0.34761042678194 10.811 > 1 10 B 0.61647654821571 0.88470718211376 0.34761042678194 10.811 > 1 11 B 0.38352345178429 0.38470718211376 0.15238957321806 10.811 > 3 12 B 0.38352345178429 0.88470718211376 0.15238957321806 10.811 > 3 13 B 0.38352345178429 0.11529281788624 0.65238957321806 10.811 > 5 14 B 0.38352345178429 0.61529281788624 0.65238957321806 10.811 > 5 15 B 0.61647654821571 0.11529281788624 0.84761042678194 10.811 > 7 16 B 0.61647654821571 0.61529281788624 0.84761042678194 10.811 > 7 17 Se 0.62902246231955 0.10103059328686 0.01691767976524 78.960 > 17 18 Se 0.62902246231955 0.60103059328686 0.01691767976524 78.960 > 17 19 Se 0.87097753768045 0.35103059328686 0.48308232023476 78.960 > 19 20 Se 0.87097753768045 0.85103059328686 0.48308232023476 78.960 > 19 21 Se 0.37097753768045 0.39896940671314 0.98308232023476 78.960 > 21 22 Se 0.37097753768045 0.89896940671314 0.98308232023476 78.960 > 21 23 Se 0.12902246231955 0.14896940671314 0.51691767976524 78.960 > 23 24 Se 0.12902246231955 0.64896940671314 0.51691767976524 78.960 > 23 25 Se 0.22875905718793 0.31151854000923 0.83292476682526 78.960 > 25 26 Se 0.22875905718793 0.81151854000923 0.83292476682526 78.960 > 25 27 Se 0.27124094281207 0.06151854000923 0.66707523317474 78.960 > 27 28 Se 0.27124094281207 0.56151854000923 0.66707523317474 78.960 > 27 29 Se 0.77124094281207 0.18848145999077 0.16707523317474 78.960 > 29 30 Se 0.77124094281207 0.68848145999077 0.16707523317474 78.960 > 29 31 Se 0.72875905718793 0.43848145999077 0.33292476682526 78.960 > 31 32 Se 0.72875905718793 0.93848145999077 0.33292476682526 78.960 > 31 33 Se 0.08186690859407 0.49206346706218 0.76780478604382 78.960 > 33 34 Se 0.08186690859407 0.99206346706218 0.76780478604382 78.960 > 33 35 Se 0.91813309140593 0.49206346706218 0.73219521395618 78.960 > 35 36 Se 0.91813309140593 0.99206346706218 0.73219521395618 78.960 > 35 37 Se 0.91813309140593 0.00793653293782 0.23219521395618 78.960 > 37 38 Se 0.91813309140593 0.50793653293782 0.23219521395618 78.960 > 37 39 Se 0.08186690859407 0.00793653293782 0.26780478604382 78.960 > 39 40 Se 0.08186690859407 0.50793653293782 0.26780478604382 78.960 > 39 41 Se 0.00000000000000 0.27471232115443 0.75000000000000 78.960 > 41 42 Se 0.00000000000000 0.77471232115443 0.75000000000000 78.960 > 41 43 Se 0.00000000000000 0.22528767884557 0.25000000000000 78.960 > 43 44 Se 0.00000000000000 0.72528767884557 0.25000000000000 78.960 > 43 45 Se 0.12902246231955 0.35103059328686 0.01691767976524 78.960 > 17 46 Se 0.12902246231955 0.85103059328686 0.01691767976524 78.960 > 17 47 Se 0.37097753768045 0.10103059328686 0.48308232023476 78.960 > 19 48 Se 0.37097753768045 0.60103059328686 0.48308232023476 78.960 > 19 49 Se 0.87097753768045 0.14896940671314 0.98308232023476 78.960 > 21 50 Se 0.87097753768045 0.64896940671314 0.98308232023476 78.960 > 21 51 Se 0.62902246231955 0.39896940671314 0.51691767976524 78.960 > 23 52 Se 0.62902246231955 0.89896940671314 0.51691767976524 78.960 > 23 53 Se 0.72875905718793 0.06151854000923 0.83292476682526 78.960 > 25 54 Se 0.72875905718793 0.56151854000923 0.83292476682526 78.960 > 25 55 Se 0.77124094281207 0.31151854000923 0.66707523317474 78.960 > 27 56 Se 0.77124094281207 0.81151854000923 0.66707523317474 78.960 > 27 57 Se 0.27124094281207 0.43848145999077 0.16707523317474 78.960 > 29 58 Se 0.27124094281207 0.93848145999077 0.16707523317474 78.960 > 29 59 Se 0.22875905718793 0.18848145999077 0.33292476682526 78.960 > 31 60 Se 0.22875905718793 0.68848145999077 0.33292476682526 78.960 > 31 61 Se 0.58186690859407 0.24206346706218 0.76780478604382 78.960 > 33 62 Se 0.58186690859407 0.74206346706218 0.76780478604382 78.960 > 33 63 Se 0.41813309140593 0.24206346706218 0.73219521395618 78.960 > 35 64 Se 0.41813309140593 0.74206346706218 0.73219521395618 78.960 > 35 65 Se 0.41813309140593 0.25793653293782 0.23219521395618 78.960 > 37 66 Se 0.41813309140593 0.75793653293782 0.23219521395618 78.960 > 37 67 Se 0.58186690859407 0.25793653293782 0.26780478604382 78.960 > 39 68 Se 0.58186690859407 0.75793653293782 0.26780478604382 78.960 > 39 69 Se 0.50000000000000 0.02471232115443 0.75000000000000 78.960 > 41 70 Se 0.50000000000000 0.52471232115443 0.75000000000000 78.960 > 41 71 Se 0.50000000000000 0.47528767884557 0.25000000000000 78.960 > 43 72 Se 0.50000000000000 0.97528767884557 0.25000000000000 78.960 > 43 73 Rb 0.10435881718613 0.38724243544819 0.52018934807630 85.468 > 73 74 Rb 0.10435881718613 0.88724243544819 0.52018934807630 85.468 > 73 75 Rb 0.39564118281387 0.13724243544819 0.97981065192370 85.468 > 75 76 Rb 0.39564118281387 0.63724243544819 0.97981065192370 85.468 > 75 77 Rb 0.89564118281387 0.11275756455181 0.47981065192370 85.468 > 77 78 Rb 0.89564118281387 0.61275756455181 0.47981065192370 85.468 > 77 79 Rb 0.60435881718613 0.36275756455181 0.02018934807630 85.468 > 79 80 Rb 0.60435881718613 0.86275756455181 0.02018934807630 85.468 > 79 81 Rb 0.60435881718613 0.13724243544819 0.52018934807630 85.468 > 73 82 Rb 0.60435881718613 0.63724243544819 0.52018934807630 85.468 > 73 83 Rb 0.89564118281387 0.38724243544819 0.97981065192370 85.468 > 75 84 Rb 0.89564118281387 0.88724243544819 0.97981065192370 85.468 > 75 85 Rb 0.39564118281387 0.36275756455181 0.47981065192370 85.468 > 77 86 Rb 0.39564118281387 0.86275756455181 0.47981065192370 85.468 > 77 87 Rb 0.10435881718613 0.11275756455181 0.02018934807630 85.468 > 79 88 Rb 0.10435881718613 0.61275756455181 0.02018934807630 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5006981 0.0000000 1.4169883 0.0000000 3.9546273 0.0000000 1.4169832 0.0000000 6.1033209 -------------------------- Born effective charges -------------------------- 1 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 2 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 3 B 0.9631183 0.1676806 0.2505071 0.0834527 0.5947362 0.2749216 -0.0053224 0.3005160 1.2109429 4 B 0.9631183 -0.1676806 0.2505071 -0.0834527 0.5947362 -0.2749216 -0.0053224 -0.3005160 1.2109429 5 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 6 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 7 Se -0.8471745 0.3263843 0.8050113 0.0570806 -0.4058775 0.3211989 0.3690334 0.7313696 0.4358754 8 Se -0.8471745 -0.3263843 0.8050113 -0.0570806 -0.4058775 -0.3211989 0.3690334 -0.7313696 0.4358754 9 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 10 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 11 Se -0.4610305 0.2761152 -0.3117776 0.1916794 -0.5699909 0.1538602 0.0519161 -0.1670107 -1.1181546 12 Se -0.4610305 -0.2761152 -0.3117776 -0.1916794 -0.5699909 -0.1538602 0.0519161 0.1670107 -1.1181546 13 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 14 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 15 Se -0.3301365 -0.2417093 -0.0611186 -0.1485482 -0.6686014 0.0470198 0.0253363 0.0425618 -0.7031621 16 Se -0.3301365 0.2417093 -0.0611186 0.1485482 -0.6686014 -0.0470198 0.0253363 -0.0425618 -0.7031621 17 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 18 Se -0.9682557 0.0000000 -1.2906938 0.0000000 -0.7171920 0.0000000 -0.6943342 0.0000000 -2.3365924 19 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 20 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 21 Rb 1.1593510 0.0570039 -0.0372753 0.0046044 1.4083296 0.0224316 -0.0937964 -0.1233704 1.3427946 22 Rb 1.1593510 -0.0570039 -0.0372753 -0.0046044 1.4083296 -0.0224316 -0.0937964 0.1233704 1.3427946 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] 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: 0.49, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 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 0.730 ( 0.000 0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.385 ( 0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 17.250 ( 0.000 0.000 0.000) 0.000 17.882 ( 0.000 0.000 0.000) 0.000 17.953 ( 0.000 0.000 0.000) 0.000 18.990 ( 0.000 0.000 0.000) 0.000 19.025 ( 0.000 0.000 0.000) 0.000 19.174 ( 0.000 0.000 0.000) 0.000 19.180 ( 0.000 0.000 0.000) 0.000 19.623 ( 0.000 0.000 0.000) 0.000 20.123 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 10.069 -7.781 -0.093) 12.726 0.275 ( 10.648 -9.293 4.924) 14.966 0.469 ( 15.739 -13.820 17.100) 27.039 0.739 ( 1.992 0.506 2.867) 3.528 0.957 ( -2.640 -2.510 -3.089) 4.776 1.180 ( -3.590 1.529 -2.268) 4.513 1.252 ( -0.659 0.952 0.035) 1.158 1.423 ( 4.869 -4.020 3.194) 7.076 1.476 ( -2.739 3.480 -1.449) 4.660 1.616 ( -3.111 0.920 -0.680) 3.315 1.651 ( -1.004 3.626 -2.804) 4.692 1.686 ( 3.056 0.784 3.633) 4.812 1.771 ( 0.534 4.841 -3.405) 5.943 1.807 ( 3.036 4.009 0.667) 5.073 1.841 ( -2.516 -3.951 -1.627) 4.959 1.980 ( 1.155 2.667 3.343) 4.429 2.050 ( 2.558 2.635 1.118) 3.839 2.190 ( -0.748 -0.074 -0.538) 0.924 2.263 ( -2.999 1.348 2.230) 3.973 2.289 ( 2.788 -2.571 -5.334) 6.544 2.347 ( -1.819 -1.015 2.952) 3.613 2.426 ( -0.230 -6.173 -5.632) 8.360 2.481 ( -8.715 -6.788 -4.892) 12.081 2.694 ( -0.245 1.736 0.838) 1.943 2.798 ( 0.584 0.656 1.265) 1.540 2.810 ( -1.123 -1.961 -3.078) 3.818 3.038 ( -7.157 -1.603 -8.152) 10.966 3.090 ( -0.259 -0.371 -2.501) 2.542 3.305 ( 1.128 0.158 0.213) 1.159 3.342 ( 1.472 0.429 1.172) 1.929 3.572 ( 1.849 0.260 2.808) 3.372 3.653 ( 0.083 0.455 1.151) 1.241 3.735 ( 2.943 3.575 5.338) 7.066 3.832 ( -2.197 0.704 1.174) 2.589 3.950 ( -0.152 -0.246 0.165) 0.333 4.021 ( 0.162 0.057 0.518) 0.545 4.396 ( 0.623 -0.209 0.694) 0.956 4.509 ( -0.368 -0.104 -0.550) 0.670 4.667 ( 2.194 0.722 2.653) 3.517 4.827 ( -0.293 -0.143 -0.524) 0.617 5.099 ( 2.473 -0.188 2.641) 3.623 5.472 ( -1.859 0.107 -2.002) 2.734 5.805 ( 0.813 -0.006 1.014) 1.300 6.013 ( -1.437 0.360 -1.324) 1.987 6.529 ( 0.083 -0.136 0.214) 0.267 6.567 ( -0.622 -0.144 -0.445) 0.778 6.762 ( 2.569 0.986 3.153) 4.185 6.932 ( -0.697 0.068 -0.890) 1.133 7.385 ( 0.381 0.084 0.595) 0.712 7.451 ( -0.309 0.702 1.605) 1.779 7.660 ( 0.377 0.130 0.425) 0.583 7.711 ( -0.266 0.100 -0.338) 0.441 7.904 ( 0.036 0.063 0.014) 0.074 7.910 ( 0.013 0.097 -0.023) 0.100 16.367 ( 0.087 -0.506 0.302) 0.595 16.433 ( 2.698 3.070 6.795) 7.929 17.116 ( 0.587 1.326 0.434) 1.514 17.236 ( -0.280 1.540 -0.478) 1.636 17.898 ( 0.873 0.591 1.279) 1.657 17.955 ( 0.009 -0.152 0.245) 0.289 18.995 ( 0.781 -0.174 -0.141) 0.813 19.025 ( -0.347 -0.241 -0.306) 0.522 19.179 ( -0.036 -0.400 0.398) 0.566 19.228 ( 0.810 -0.289 -3.807) 3.903 19.643 ( 0.997 -1.178 2.367) 2.825 20.105 ( -3.317 1.139 -2.518) 4.317 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 8.828 -6.359 1.242) 10.950 0.525 ( 9.232 -8.136 3.492) 12.791 0.771 ( 2.408 -1.348 4.628) 5.388 0.863 ( 12.740 -8.213 9.996) 18.157 0.974 ( -2.788 -3.964 -0.886) 4.927 1.127 ( 0.428 2.423 -1.073) 2.684 1.219 ( -4.909 0.191 -1.936) 5.280 1.393 ( -4.899 1.313 0.262) 5.079 1.433 ( -1.680 4.147 -6.672) 8.033 1.576 ( -4.126 2.246 1.336) 4.884 1.624 ( 4.191 -1.397 3.718) 5.774 1.644 ( 0.296 7.649 0.893) 7.707 1.710 ( 4.145 1.926 3.551) 5.788 1.800 ( 2.598 0.016 1.307) 2.908 1.885 ( -2.852 -4.774 -3.205) 6.418 1.962 ( 0.509 0.970 1.623) 1.959 2.072 ( 6.125 1.260 3.495) 7.163 2.164 ( -1.505 4.480 2.970) 5.582 2.198 ( -0.363 1.242 -0.870) 1.560 2.300 ( -1.132 0.025 -3.598) 3.772 2.384 ( -1.023 -3.153 -3.390) 4.741 2.456 ( -2.756 -3.653 -5.123) 6.870 2.538 ( -1.688 -3.578 0.229) 3.963 2.660 ( -1.214 1.499 -1.579) 2.493 2.734 ( -6.067 2.064 -6.383) 9.045 2.848 ( 1.072 -2.283 2.759) 3.738 3.009 ( -3.014 -3.562 -4.060) 6.185 3.083 ( 0.105 -0.468 -2.973) 3.012 3.314 ( 1.435 0.084 0.042) 1.438 3.347 ( 0.647 0.405 0.455) 0.889 3.597 ( 2.106 0.540 3.253) 3.913 3.653 ( 0.488 0.489 1.456) 1.612 3.715 ( 0.486 2.440 2.286) 3.379 3.799 ( -3.123 0.747 -1.125) 3.402 3.957 ( -0.054 -0.493 0.492) 0.699 4.023 ( 0.014 0.089 0.300) 0.314 4.414 ( 1.077 -0.506 1.230) 1.712 4.505 ( -0.406 0.025 -0.633) 0.752 4.690 ( 3.278 0.950 3.827) 5.128 4.821 ( -1.374 -0.458 -1.880) 2.373 5.149 ( 4.458 -0.205 4.926) 6.647 5.433 ( -3.568 0.192 -3.978) 5.347 5.823 ( 1.730 -0.010 2.083) 2.707 5.981 ( -2.512 0.313 -2.849) 3.811 6.534 ( 0.164 -0.171 0.367) 0.436 6.561 ( -0.859 -0.181 -0.681) 1.111 6.789 ( 2.787 0.321 3.064) 4.154 6.916 ( -1.353 0.101 -1.703) 2.177 7.392 ( 0.705 0.129 1.024) 1.250 7.442 ( -0.714 0.326 -0.060) 0.787 7.664 ( 0.645 0.203 0.737) 1.000 7.703 ( -0.509 0.136 -0.631) 0.822 7.903 ( 0.062 0.091 0.027) 0.114 7.908 ( 0.020 0.136 -0.033) 0.142 16.381 ( 0.106 -0.774 0.397) 0.877 16.435 ( 0.968 1.054 2.434) 2.823 17.096 ( 0.927 1.830 0.741) 2.182 17.195 ( -0.414 2.386 -0.763) 2.539 17.902 ( -0.099 -0.262 0.333) 0.434 17.960 ( -0.027 -0.193 0.300) 0.358 19.001 ( 0.487 0.034 -0.497) 0.696 19.026 ( -0.180 -0.399 -0.369) 0.573 19.190 ( 0.212 -0.406 1.026) 1.124 19.224 ( 2.271 0.475 -1.725) 2.891 19.696 ( 1.874 -1.637 3.740) 4.492 20.028 ( -4.665 2.166 -3.636) 6.298 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 5.553 -3.395 1.811) 6.756 0.728 ( 6.833 -6.392 2.399) 9.660 0.836 ( 2.365 -2.252 1.889) 3.773 0.988 ( -0.668 -3.789 -3.384) 5.123 1.068 ( 3.767 3.925 2.934) 6.181 1.088 ( 1.977 0.382 1.998) 2.837 1.147 ( -7.073 0.586 -1.558) 7.266 1.320 ( -1.352 1.476 -4.843) 5.241 1.386 ( -1.475 -0.902 1.519) 2.301 1.498 ( -2.476 3.450 -0.935) 4.348 1.558 ( -1.195 1.571 1.676) 2.589 1.687 ( 6.008 1.344 6.057) 8.637 1.734 ( 1.780 0.622 3.859) 4.295 1.848 ( 1.570 -0.885 0.705) 1.935 1.925 ( -3.407 -4.008 -1.296) 5.418 1.968 ( 2.397 0.092 0.625) 2.479 2.080 ( -0.152 4.144 3.660) 5.531 2.126 ( 5.086 0.179 1.810) 5.402 2.193 ( -1.492 -1.326 -2.444) 3.156 2.265 ( -0.702 1.574 0.468) 1.786 2.387 ( -1.034 -1.133 -4.390) 4.650 2.465 ( -0.570 -0.836 -3.584) 3.725 2.547 ( -2.281 1.087 -5.626) 6.168 2.574 ( -7.167 -0.739 -4.463) 8.475 2.662 ( -0.890 1.056 0.572) 1.494 2.917 ( 1.265 -2.114 3.876) 4.593 3.042 ( -0.961 -3.009 -1.523) 3.507 3.079 ( 1.118 0.093 -2.204) 2.473 3.325 ( 0.887 -0.169 -0.039) 0.904 3.345 ( 0.064 0.228 0.134) 0.272 3.617 ( 1.565 0.416 2.454) 2.940 3.655 ( -0.011 0.444 0.716) 0.842 3.692 ( 0.491 1.177 1.609) 2.053 3.751 ( -2.903 0.918 -2.054) 3.673 3.968 ( 0.136 -0.359 0.664) 0.767 4.020 ( -0.234 0.103 -0.268) 0.371 4.441 ( 1.267 -0.699 1.469) 2.062 4.493 ( -0.805 0.373 -0.998) 1.335 4.725 ( 3.644 0.566 4.151) 5.553 4.801 ( -2.416 -0.351 -2.996) 3.865 5.220 ( 5.479 -0.107 6.249) 8.312 5.372 ( -4.877 0.183 -5.602) 7.430 5.853 ( 2.507 -0.090 2.947) 3.870 5.938 ( -2.993 0.247 -3.447) 4.572 6.540 ( 0.288 -0.099 0.474) 0.564 6.553 ( -0.743 -0.126 -0.691) 1.022 6.823 ( 2.789 0.068 3.094) 4.166 6.891 ( -1.956 0.087 -2.378) 3.080 7.402 ( 0.924 0.094 1.203) 1.519 7.429 ( -0.945 0.154 -0.788) 1.240 7.671 ( 0.733 0.172 0.851) 1.136 7.693 ( -0.652 0.077 -0.787) 1.025 7.902 ( 0.047 0.062 0.020) 0.081 7.906 ( 0.014 0.096 -0.024) 0.100 16.396 ( 0.066 -0.662 0.262) 0.715 16.435 ( 0.334 0.474 0.836) 1.018 17.080 ( 0.823 1.195 0.737) 1.627 17.149 ( -0.449 1.869 -0.755) 2.065 17.907 ( -0.231 -0.319 0.062) 0.399 17.964 ( -0.024 -0.133 0.190) 0.233 18.996 ( -0.142 0.215 -0.580) 0.635 19.032 ( 0.232 -0.303 -0.166) 0.417 19.205 ( 0.722 -0.150 1.126) 1.346 19.229 ( 1.385 0.056 -0.872) 1.637 19.760 ( 2.710 -1.397 4.046) 5.067 19.934 ( -4.718 1.919 -4.055) 6.511 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 -0.000 -0.000) 0.000 0.836 ( 0.000 -0.000 -0.000) 0.000 0.895 ( -0.000 -0.000 0.000) 0.000 0.985 ( 0.000 -0.000 0.000) 0.000 1.015 ( 0.000 -0.000 0.000) 0.000 1.093 ( 0.000 -0.000 0.000) 0.000 1.120 ( 0.000 -0.000 -0.000) 0.000 1.312 ( 0.000 -0.000 0.000) 0.000 1.368 ( 0.000 -0.000 0.000) 0.000 1.460 ( 0.000 -0.000 -0.000) 0.000 1.547 ( 0.000 -0.000 -0.000) 0.000 1.729 ( 0.000 -0.000 0.000) 0.000 1.778 ( 0.000 -0.000 -0.000) 0.000 1.815 ( 0.000 -0.000 0.000) 0.000 1.940 ( 0.000 -0.000 -0.000) 0.000 1.996 ( -0.000 -0.000 0.000) 0.000 2.060 ( 0.000 -0.000 0.000) 0.000 2.161 ( 0.000 -0.000 0.000) 0.000 2.177 ( -0.000 0.000 -0.000) 0.000 2.258 ( 0.000 -0.000 -0.000) 0.000 2.381 ( 0.000 -0.000 0.000) 0.000 2.460 ( -0.000 -0.000 -0.000) 0.000 2.465 ( 0.000 -0.000 0.000) 0.000 2.567 ( 0.000 -0.000 0.000) 0.000 2.653 ( 0.000 -0.000 -0.000) 0.000 2.953 ( 0.000 -0.000 0.000) 0.000 3.067 ( -0.000 -0.000 0.000) 0.000 3.072 ( 0.000 0.000 -0.000) 0.000 3.330 ( -0.000 -0.000 0.000) 0.000 3.343 ( 0.000 -0.000 -0.000) 0.000 3.632 ( 0.000 -0.000 0.000) 0.000 3.643 ( 0.000 -0.000 -0.000) 0.000 3.708 ( -0.000 0.000 -0.000) 0.000 3.708 ( 0.000 -0.000 0.000) 0.000 3.974 ( 0.000 -0.000 -0.000) 0.000 4.017 ( 0.000 -0.000 -0.000) 0.000 4.468 ( 0.000 -0.000 0.000) 0.000 4.471 ( -0.000 0.000 -0.000) 0.000 4.764 ( 0.000 -0.000 -0.000) 0.000 4.767 ( 0.000 -0.000 0.000) 0.000 5.293 ( 0.000 -0.000 0.000) 0.000 5.302 ( -0.000 -0.000 -0.000) 0.000 5.893 ( -0.000 -0.000 -0.000) 0.000 5.894 ( 0.000 -0.000 0.000) 0.000 6.547 ( -0.495 -0.022 -0.585) 0.767 6.547 ( 0.495 0.022 0.585) 0.767 6.857 ( 0.000 -0.000 0.000) 0.000 6.861 ( -0.000 -0.000 -0.000) 0.000 7.413 ( -0.000 -0.000 -0.000) 0.000 7.416 ( 0.000 -0.000 0.000) 0.000 7.676 ( -0.000 -0.000 -0.000) 0.000 7.686 ( 0.000 -0.000 0.000) 0.000 7.902 ( 0.000 -0.000 0.000) 0.000 7.905 ( 0.000 -0.000 -0.000) 0.000 16.404 ( 0.000 -0.000 0.000) 0.000 16.434 ( 0.000 -0.000 0.000) 0.000 17.076 ( 0.000 -0.000 0.000) 0.000 17.127 ( 0.000 -0.000 0.000) 0.000 17.909 ( 0.000 -0.000 0.000) 0.000 17.965 ( 0.000 -0.000 0.000) 0.000 18.992 ( 0.000 -0.000 -0.000) 0.000 19.035 ( 0.000 -0.000 -0.000) 0.000 19.213 ( 0.000 -0.000 0.000) 0.000 19.232 ( 0.000 -0.000 -0.000) 0.000 19.810 ( 0.000 -0.000 -0.000) 0.000 19.871 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( 9.130 0.000 7.276) 11.675 0.277 ( 12.387 0.000 6.699) 14.082 0.684 ( 26.531 0.000 21.158) 33.934 0.774 ( 1.894 0.000 3.364) 3.861 0.893 ( -2.435 -0.000 -5.018) 5.578 1.149 ( -2.693 -0.000 -0.786) 2.805 1.274 ( -3.055 -0.000 -1.196) 3.281 1.419 ( 4.663 0.000 4.838) 6.719 1.471 ( -5.282 -0.000 -7.206) 8.934 1.607 ( -1.187 -0.000 -0.700) 1.378 1.673 ( -1.052 -0.000 -3.774) 3.918 1.724 ( -1.074 -0.000 -8.627) 8.693 1.735 ( 2.871 0.000 3.627) 4.625 1.804 ( -4.987 -0.000 1.916) 5.342 1.901 ( 3.567 0.000 2.129) 4.154 2.065 ( 2.990 0.000 3.029) 4.256 2.093 ( -0.025 -0.000 -0.471) 0.471 2.176 ( -0.338 -0.000 1.881) 1.911 2.181 ( -0.246 -0.000 -5.951) 5.956 2.239 ( 1.838 0.000 0.399) 1.881 2.359 ( 0.044 0.000 2.396) 2.396 2.367 ( -0.495 -0.000 4.340) 4.368 2.391 ( 1.913 0.000 0.245) 1.928 2.697 ( -2.957 -0.000 -3.715) 4.748 2.766 ( -1.838 -0.000 -2.517) 3.117 2.818 ( 0.731 0.000 1.806) 1.949 2.917 ( -5.280 -0.000 -7.633) 9.282 3.069 ( -0.033 -0.000 -3.688) 3.688 3.319 ( 1.387 0.000 -0.053) 1.388 3.354 ( 0.468 0.000 -0.683) 0.828 3.607 ( 2.109 0.000 3.487) 4.075 3.665 ( 0.208 0.000 1.592) 1.606 3.777 ( -1.207 -0.000 -0.131) 1.214 3.828 ( -5.152 -0.000 0.427) 5.170 3.967 ( 0.053 0.000 2.367) 2.368 4.018 ( -0.705 -0.000 0.352) 0.788 4.407 ( 1.203 0.000 1.328) 1.792 4.502 ( -0.157 -0.000 -0.424) 0.452 4.709 ( 2.954 0.000 3.323) 4.447 4.816 ( -1.588 -0.000 -1.740) 2.356 5.142 ( 4.416 0.000 4.969) 6.647 5.437 ( -3.659 -0.000 -3.840) 5.304 5.823 ( 1.763 0.000 2.153) 2.783 5.989 ( -2.835 -0.000 -2.847) 4.018 6.530 ( 0.138 0.000 0.455) 0.475 6.558 ( -0.889 -0.000 -0.493) 1.017 6.810 ( 1.673 0.000 2.759) 3.226 6.918 ( -1.345 -0.000 -1.739) 2.198 7.394 ( 0.690 0.000 1.131) 1.325 7.459 ( -2.119 -0.000 0.944) 2.320 7.669 ( 0.732 0.000 0.798) 1.082 7.706 ( -0.508 -0.000 -0.634) 0.813 7.905 ( 0.092 0.000 0.041) 0.101 7.911 ( 0.025 0.000 -0.046) 0.053 16.365 ( 0.072 0.000 0.522) 0.527 16.506 ( -3.607 -0.000 3.279) 4.875 17.140 ( 1.148 0.000 1.181) 1.647 17.243 ( -0.330 -0.000 -0.782) 0.849 17.917 ( -1.307 -0.000 0.131) 1.313 17.950 ( -0.481 -0.000 0.090) 0.490 19.003 ( 1.589 0.000 0.026) 1.589 19.017 ( -0.302 -0.000 -0.604) 0.675 19.193 ( 2.631 0.000 -2.856) 3.883 19.208 ( 2.749 0.000 0.501) 2.794 19.662 ( 1.891 0.000 4.480) 4.863 20.061 ( -5.206 -0.000 -3.728) 6.403 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 9.176 -5.871 2.409) 11.157 0.467 ( 7.497 -6.741 6.676) 12.092 0.800 ( 1.730 -0.006 1.934) 2.595 0.873 ( -2.067 -2.824 -3.896) 5.237 0.997 ( 20.162 -2.290 14.957) 25.209 1.146 ( -0.018 -0.418 1.129) 1.204 1.200 ( -4.474 2.450 -2.939) 5.887 1.364 ( -5.032 2.086 -0.979) 5.534 1.456 ( -1.685 2.849 -5.866) 6.735 1.587 ( -3.798 2.374 -2.056) 4.928 1.629 ( 2.870 -2.548 3.239) 5.022 1.712 ( -0.366 -0.363 -7.019) 7.038 1.765 ( -1.008 1.173 3.064) 3.432 1.778 ( -1.708 -2.061 0.750) 2.780 1.863 ( -0.995 3.597 -2.045) 4.256 2.035 ( 4.570 3.977 5.636) 8.275 2.137 ( -1.609 -0.119 -0.222) 1.628 2.177 ( 1.190 -3.967 -4.985) 6.481 2.200 ( 2.065 0.957 4.858) 5.364 2.305 ( -0.800 2.899 3.640) 4.722 2.338 ( 2.722 -4.812 -1.716) 5.789 2.373 ( 0.515 1.856 -1.352) 2.353 2.456 ( -1.476 -4.210 1.471) 4.698 2.611 ( -6.474 0.551 -11.177) 12.928 2.738 ( -1.612 1.821 3.434) 4.208 2.843 ( 1.349 -1.228 3.313) 3.782 2.912 ( 0.205 -3.567 -3.464) 4.976 3.059 ( 0.824 -0.689 -3.459) 3.622 3.325 ( 1.025 0.133 -0.743) 1.273 3.348 ( -0.104 -0.002 -1.493) 1.497 3.634 ( 1.303 0.310 2.653) 2.972 3.672 ( 0.156 0.322 1.749) 1.785 3.749 ( -1.815 1.589 -0.161) 2.417 3.784 ( -3.465 0.525 -0.495) 3.539 3.965 ( 0.222 0.765 1.794) 1.963 4.017 ( -1.086 -0.386 -0.049) 1.153 4.427 ( 1.533 -0.125 1.699) 2.291 4.500 ( -0.113 0.043 -0.349) 0.369 4.744 ( 2.840 0.414 3.152) 4.263 4.790 ( -2.255 -0.139 -2.782) 3.584 5.214 ( 5.632 -0.239 6.385) 8.517 5.377 ( -5.060 0.108 -5.587) 7.539 5.853 ( 2.518 0.031 3.050) 3.955 5.947 ( -3.109 0.226 -3.460) 4.657 6.535 ( 0.227 -0.122 0.643) 0.692 6.549 ( -0.869 -0.092 -0.525) 1.020 6.834 ( 2.475 0.494 2.950) 3.882 6.894 ( -1.925 0.060 -2.470) 3.132 7.406 ( 0.879 0.110 1.420) 1.673 7.441 ( -1.490 0.451 -0.210) 1.570 7.678 ( 0.868 0.206 0.941) 1.297 7.697 ( -0.688 0.094 -0.834) 1.086 7.906 ( 0.115 0.080 0.050) 0.149 7.910 ( 0.030 0.095 -0.057) 0.115 16.372 ( -0.059 -0.485 0.484) 0.687 16.474 ( -1.260 1.665 1.500) 2.571 17.142 ( 1.412 1.603 1.318) 2.510 17.222 ( -0.390 1.548 -0.977) 1.872 17.901 ( -0.839 0.266 0.029) 0.880 17.951 ( -0.636 -0.511 0.024) 0.816 19.009 ( 0.527 0.395 -0.320) 0.732 19.022 ( 1.247 -0.314 0.095) 1.290 19.198 ( 2.070 0.126 -0.676) 2.181 19.238 ( 2.607 -0.163 -0.391) 2.641 19.713 ( 2.403 -0.930 5.474) 6.050 19.985 ( -6.794 0.760 -4.951) 8.441 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 5.408 -5.080 0.617) 7.445 0.655 ( 4.019 -7.053 2.930) 8.630 0.822 ( 0.638 -0.932 -0.007) 1.130 0.914 ( 0.520 -4.215 -1.859) 4.636 1.076 ( -5.639 1.452 -4.699) 7.482 1.152 ( 1.987 2.347 -0.046) 3.076 1.195 ( 7.468 2.756 4.725) 9.257 1.314 ( -1.037 1.241 -4.391) 4.679 1.360 ( -2.131 -0.619 2.139) 3.082 1.525 ( -1.577 2.012 -0.576) 2.620 1.609 ( -1.702 4.320 -1.206) 4.797 1.720 ( -1.246 -1.726 0.174) 2.136 1.754 ( -5.621 -0.269 -0.832) 5.688 1.807 ( -0.206 -2.619 3.603) 4.459 1.845 ( 1.119 -2.387 -2.765) 3.821 2.007 ( -1.293 1.817 -1.673) 2.788 2.120 ( 1.183 1.297 -2.334) 2.920 2.206 ( 2.089 2.576 7.095) 7.832 2.240 ( 5.257 1.877 4.635) 7.256 2.276 ( 1.661 0.354 -0.097) 1.701 2.339 ( 0.037 0.133 -2.793) 2.797 2.428 ( 2.822 -2.526 0.281) 3.798 2.482 ( -5.086 -0.628 -5.407) 7.450 2.520 ( -0.843 -0.940 -1.834) 2.227 2.714 ( -0.609 2.461 5.133) 5.725 2.905 ( 1.143 -2.268 3.100) 4.007 2.971 ( 0.693 -3.888 -1.668) 4.287 3.071 ( 1.608 -1.012 -2.348) 3.020 3.326 ( 0.557 -0.094 -0.977) 1.128 3.340 ( -0.281 -0.155 -1.573) 1.605 3.643 ( 0.459 0.484 1.592) 1.726 3.664 ( -1.664 0.859 -0.130) 1.877 3.715 ( -0.532 0.737 0.918) 1.292 3.745 ( -1.986 1.330 -0.373) 2.419 3.968 ( 0.060 -0.061 0.800) 0.805 4.012 ( -0.998 -0.236 -0.303) 1.069 4.452 ( 1.624 -0.321 1.831) 2.469 4.492 ( -0.392 0.512 -0.570) 0.860 4.756 ( -3.122 -0.252 -3.836) 4.952 4.775 ( 2.692 0.257 2.866) 3.940 5.294 ( 5.067 -0.061 5.833) 7.727 5.302 ( -5.172 0.060 -5.986) 7.911 5.891 ( 2.977 0.025 3.566) 4.645 5.902 ( -2.933 0.269 -3.292) 4.417 6.542 ( -0.533 -0.189 -0.319) 0.649 6.544 ( 0.247 -0.138 0.629) 0.690 6.860 ( 0.059 0.192 -0.152) 0.252 6.863 ( 0.024 0.130 -0.111) 0.173 7.418 ( 0.655 0.202 1.115) 1.309 7.421 ( -0.935 0.286 -0.491) 1.094 7.682 ( -0.276 0.262 -0.342) 0.511 7.689 ( 0.340 0.141 0.357) 0.513 7.905 ( 0.101 0.130 0.043) 0.170 7.908 ( 0.026 0.134 -0.048) 0.145 16.384 ( -0.195 -0.767 0.195) 0.816 16.451 ( -0.488 0.876 0.480) 1.112 17.124 ( 1.117 2.296 0.967) 2.731 17.180 ( -0.216 2.332 -0.727) 2.452 17.897 ( -0.576 -0.424 -0.070) 0.719 17.955 ( -0.583 -0.530 -0.078) 0.792 19.003 ( 0.609 0.555 -0.123) 0.833 19.037 ( 1.325 0.017 0.531) 1.427 19.208 ( 1.239 0.027 -0.911) 1.538 19.252 ( 2.029 0.681 0.440) 2.185 19.778 ( 2.233 -1.212 4.653) 5.301 19.892 ( -6.044 0.738 -4.521) 7.583 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -1.647 -0.829 -2.324) 2.966 0.806 ( 1.191 -7.094 -1.417) 7.332 0.834 ( -1.409 -0.766 -0.037) 1.604 0.956 ( -6.105 2.088 -3.991) 7.587 1.004 ( 2.626 -2.742 -0.734) 3.867 1.112 ( 2.176 1.757 -4.181) 5.030 1.165 ( 1.883 2.844 1.408) 3.691 1.312 ( -0.796 0.377 0.268) 0.920 1.378 ( 1.498 -1.424 2.019) 2.890 1.492 ( 0.535 2.131 1.622) 2.731 1.547 ( -2.068 1.656 0.297) 2.666 1.684 ( -8.245 -1.510 -6.033) 10.328 1.748 ( -2.178 -3.617 -2.063) 4.699 1.799 ( -1.700 4.374 -1.811) 5.030 1.878 ( -1.503 -3.463 0.390) 3.795 2.010 ( 2.649 -0.558 -0.498) 2.752 2.097 ( 1.949 1.524 0.667) 2.562 2.192 ( -1.235 3.266 4.668) 5.830 2.239 ( 3.412 2.802 0.961) 4.518 2.281 ( 0.211 2.130 -1.267) 2.487 2.336 ( -0.251 -2.405 -4.425) 5.043 2.437 ( 0.099 -1.172 -2.585) 2.840 2.508 ( 4.441 -1.088 10.053) 11.044 2.568 ( 4.486 -1.477 1.829) 5.065 2.699 ( 0.302 2.191 5.826) 6.232 2.944 ( 0.371 -0.690 -1.543) 1.731 3.030 ( -0.115 -2.765 1.276) 3.047 3.088 ( 1.355 -0.288 -0.563) 1.495 3.327 ( -0.013 -0.218 -0.983) 1.007 3.334 ( -0.486 -0.319 -1.619) 1.720 3.623 ( -2.458 0.787 -1.971) 3.248 3.646 ( 0.027 0.023 0.573) 0.574 3.698 ( -1.657 1.167 -0.905) 2.219 3.733 ( 1.594 -0.040 2.543) 3.001 3.970 ( -0.322 -0.162 -0.484) 0.603 4.011 ( -0.486 -0.390 0.183) 0.649 4.469 ( -0.553 0.747 -0.663) 1.142 4.481 ( 1.331 -0.133 1.498) 2.008 4.710 ( -3.950 -0.278 -4.726) 6.166 4.807 ( 2.393 0.026 2.587) 3.525 5.223 ( -5.413 0.071 -6.334) 8.332 5.367 ( 4.772 -0.086 5.514) 7.293 5.860 ( -2.483 0.285 -2.790) 3.746 5.933 ( 3.002 -0.030 3.549) 4.648 6.539 ( -0.420 -0.170 -0.370) 0.585 6.554 ( 0.627 -0.088 0.922) 1.119 6.825 ( -2.639 0.093 -3.202) 4.151 6.890 ( 2.013 0.054 2.256) 3.024 7.403 ( -1.019 0.182 -0.957) 1.410 7.429 ( 0.883 0.139 1.158) 1.463 7.670 ( -0.724 0.117 -0.846) 1.120 7.695 ( 0.695 0.167 0.796) 1.070 7.904 ( 0.054 0.121 0.023) 0.135 7.906 ( 0.014 0.095 -0.024) 0.099 16.396 ( -0.260 -0.683 -0.137) 0.743 16.438 ( -0.308 0.494 -0.054) 0.585 17.094 ( 0.189 1.956 0.021) 1.965 17.143 ( 0.337 1.595 0.167) 1.639 17.903 ( -0.252 -0.575 -0.092) 0.634 17.959 ( -0.469 -0.415 -0.193) 0.656 19.000 ( 0.890 0.492 0.420) 1.100 19.046 ( 0.961 0.436 0.722) 1.279 19.204 ( -0.089 0.218 -1.564) 1.582 19.252 ( 0.905 1.011 0.841) 1.596 19.787 ( -3.834 0.214 -3.032) 4.893 19.875 ( 2.022 -1.443 3.039) 3.925 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -8.316 1.709 -6.058) 10.429 0.781 ( -2.845 5.145 -2.278) 6.305 0.797 ( -7.516 1.522 -4.389) 8.835 0.955 ( -0.110 -6.343 -0.569) 6.370 1.059 ( 3.041 0.157 0.141) 3.048 1.111 ( 1.403 2.083 1.718) 3.043 1.168 ( 4.125 -2.139 -0.941) 4.741 1.326 ( 1.700 -1.632 1.755) 2.938 1.417 ( 1.723 1.424 1.352) 2.612 1.479 ( 0.512 0.217 1.359) 1.468 1.509 ( -6.826 -2.941 -1.989) 7.694 1.587 ( -4.479 1.173 -7.412) 8.739 1.728 ( 1.422 2.521 -2.116) 3.585 1.821 ( 0.353 -4.738 0.461) 4.774 1.909 ( -3.076 -2.084 0.678) 3.777 1.988 ( -1.381 1.956 -2.486) 3.452 2.075 ( 3.848 3.821 -3.464) 6.435 2.127 ( -4.002 3.671 3.638) 6.537 2.226 ( -0.889 1.062 -2.795) 3.119 2.257 ( 1.912 -0.742 3.953) 4.454 2.380 ( 0.933 -3.711 -1.464) 4.097 2.473 ( 1.421 -1.862 0.931) 2.521 2.568 ( 0.641 0.184 2.101) 2.205 2.683 ( 9.706 -0.518 10.185) 14.079 2.704 ( 2.145 1.773 6.437) 7.012 2.916 ( -1.372 1.462 -4.442) 4.874 3.073 ( 0.113 -1.306 2.202) 2.563 3.095 ( 1.712 1.028 1.631) 2.579 3.318 ( -1.250 0.152 -0.888) 1.541 3.327 ( -0.964 -0.652 -2.257) 2.540 3.586 ( -2.054 0.115 -2.539) 3.268 3.649 ( -0.221 -0.063 -0.311) 0.386 3.666 ( -1.119 0.182 -1.297) 1.722 3.772 ( 2.521 -0.823 2.711) 3.793 3.967 ( -0.171 -0.078 -0.585) 0.615 4.016 ( -0.426 -0.348 -0.019) 0.551 4.442 ( -0.725 1.085 -0.844) 1.555 4.501 ( 1.000 -0.124 1.143) 1.524 4.662 ( -3.905 -0.570 -4.571) 6.038 4.834 ( 1.649 0.144 1.916) 2.532 5.155 ( -4.222 0.119 -4.860) 6.439 5.426 ( 3.454 -0.183 3.977) 5.270 5.827 ( -1.750 0.229 -2.005) 2.671 5.972 ( 2.456 -0.139 2.881) 3.788 6.537 ( -0.222 -0.049 -0.263) 0.348 6.565 ( 0.840 0.035 0.980) 1.291 6.787 ( -2.546 0.081 -2.931) 3.883 6.913 ( 1.387 -0.040 1.616) 2.130 7.389 ( -0.746 0.047 -0.846) 1.129 7.439 ( 0.677 0.066 0.740) 1.005 7.660 ( -0.590 -0.024 -0.696) 0.913 7.701 ( 0.524 0.049 0.623) 0.816 7.902 ( 0.004 0.060 0.002) 0.060 7.905 ( 0.000 -0.000 -0.000) 0.000 16.399 ( -0.260 -0.075 -0.337) 0.432 16.428 ( -0.360 0.312 -0.432) 0.643 17.068 ( -0.382 0.693 -0.439) 0.905 17.137 ( 0.507 -0.235 0.602) 0.822 17.909 ( 0.040 -0.230 -0.067) 0.243 17.960 ( -0.362 -0.211 -0.288) 0.508 19.005 ( 0.896 0.297 0.915) 1.315 19.045 ( 0.549 0.714 0.606) 1.086 19.188 ( -0.887 0.032 -1.656) 1.879 19.239 ( -0.378 1.161 0.586) 1.355 19.739 ( -2.616 0.470 -2.885) 3.922 19.944 ( 2.885 -2.249 2.999) 4.731 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -12.049 3.172 -7.869) 14.736 0.603 ( -4.288 9.106 -0.805) 10.097 0.732 ( -3.513 0.050 -3.623) 5.046 0.986 ( 0.194 10.343 -1.767) 10.495 1.038 ( 0.263 0.538 1.269) 1.404 1.095 ( 1.782 -1.970 1.196) 2.913 1.252 ( 3.566 -1.811 0.308) 4.011 1.373 ( 0.335 -3.190 -1.093) 3.389 1.422 ( 0.782 -0.214 2.279) 2.419 1.498 ( -1.796 -4.854 -1.902) 5.514 1.542 ( -4.508 -4.221 1.753) 6.420 1.565 ( 2.994 -2.962 -2.265) 4.782 1.687 ( 0.820 2.392 -2.714) 3.709 1.825 ( -0.607 3.448 0.620) 3.555 1.918 ( -3.573 -0.249 -1.655) 3.946 1.971 ( 0.772 -0.984 -0.371) 1.305 2.037 ( 1.541 0.779 -2.316) 2.889 2.071 ( -2.215 -0.766 1.941) 3.043 2.199 ( -0.411 0.266 -1.286) 1.376 2.306 ( 1.013 -1.240 2.236) 2.750 2.442 ( 0.885 -1.241 1.825) 2.378 2.519 ( 1.780 -1.062 2.101) 2.951 2.560 ( 0.131 0.612 -0.959) 1.145 2.709 ( 2.026 3.547 4.636) 6.179 2.774 ( 2.472 0.427 0.618) 2.584 2.870 ( 0.592 0.769 0.925) 1.341 3.097 ( 1.508 0.005 0.766) 1.692 3.104 ( 2.533 1.635 4.826) 5.690 3.301 ( -1.633 -0.179 -0.296) 1.669 3.317 ( -1.618 -0.805 -2.869) 3.391 3.561 ( -1.497 -0.162 -2.108) 2.591 3.640 ( -0.355 0.053 -0.596) 0.696 3.665 ( -0.802 -1.199 -1.485) 2.070 3.817 ( 2.161 -0.715 1.652) 2.812 3.964 ( 0.131 0.202 -0.115) 0.267 4.015 ( -0.518 -0.230 -0.442) 0.719 4.416 ( -0.477 0.975 -0.554) 1.219 4.511 ( 0.407 0.057 0.509) 0.654 4.631 ( -2.449 -1.079 -2.867) 3.922 4.845 ( 0.735 0.492 0.970) 1.313 5.107 ( -2.374 0.253 -2.618) 3.543 5.465 ( 1.818 -0.246 2.056) 2.756 5.806 ( -0.866 0.102 -1.026) 1.347 6.003 ( 1.406 -0.258 1.635) 2.171 6.534 ( -0.098 0.105 -0.156) 0.212 6.574 ( 0.702 0.190 0.704) 1.012 6.755 ( -1.785 0.078 -1.952) 2.646 6.928 ( 0.699 -0.095 0.851) 1.105 7.382 ( -0.394 -0.060 -0.509) 0.646 7.444 ( 0.332 0.015 0.222) 0.399 7.655 ( -0.327 -0.137 -0.390) 0.527 7.707 ( 0.274 -0.075 0.337) 0.441 7.902 ( -0.016 -0.023 -0.007) 0.029 7.906 ( -0.006 -0.097 0.010) 0.097 16.391 ( -0.159 0.600 -0.278) 0.680 16.416 ( -0.555 0.362 -0.844) 1.073 17.065 ( -0.348 -0.861 -0.289) 0.972 17.162 ( 0.279 -1.876 0.408) 1.940 17.908 ( 0.042 0.362 -0.109) 0.380 17.958 ( -0.202 -0.044 -0.252) 0.326 19.007 ( 0.179 0.513 0.617) 0.822 19.039 ( 0.432 0.612 0.342) 0.823 19.183 ( -0.011 -0.886 -1.141) 1.445 19.216 ( -1.287 1.008 0.748) 1.798 19.698 ( -1.061 1.364 -1.688) 2.415 20.022 ( 2.042 -2.983 1.766) 4.023 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 0.000 4.896 0.000) 4.896 0.411 ( 0.000 10.896 0.000) 10.896 0.711 ( 0.000 18.444 0.000) 18.444 0.712 ( -0.000 -0.436 -0.000) 0.436 1.026 ( 0.000 2.666 0.000) 2.666 1.154 ( -0.000 -3.311 -0.000) 3.311 1.265 ( 0.000 1.192 0.000) 1.192 1.421 ( -0.000 -0.553 -0.000) 0.553 1.444 ( -0.000 -2.692 -0.000) 2.692 1.594 ( -0.000 -3.792 -0.000) 3.792 1.605 ( -0.000 -6.394 -0.000) 6.394 1.647 ( 0.000 0.714 0.000) 0.714 1.663 ( -0.000 -6.217 -0.000) 6.217 1.765 ( 0.000 2.124 0.000) 2.124 1.912 ( -0.000 -1.130 -0.000) 1.130 1.935 ( 0.000 3.041 0.000) 3.041 2.020 ( 0.000 0.223 0.000) 0.223 2.164 ( -0.000 -6.863 -0.000) 6.863 2.194 ( -0.000 -0.024 -0.000) 0.024 2.334 ( -0.000 -0.947 -0.000) 0.947 2.408 ( 0.000 5.456 0.000) 5.456 2.534 ( 0.000 3.989 0.000) 3.989 2.561 ( -0.000 -1.278 -0.000) 1.278 2.670 ( 0.000 0.477 0.000) 0.477 2.780 ( -0.000 -0.746 -0.000) 0.746 2.861 ( 0.000 2.028 0.000) 2.028 3.104 ( 0.000 0.285 0.000) 0.285 3.111 ( 0.000 1.166 0.000) 1.166 3.300 ( 0.000 0.001 0.000) 0.001 3.313 ( -0.000 -1.193 -0.000) 1.193 3.552 ( -0.000 -0.242 -0.000) 0.242 3.641 ( -0.000 -0.452 -0.000) 0.452 3.674 ( -0.000 -0.976 -0.000) 0.976 3.838 ( -0.000 -0.156 -0.000) 0.156 3.960 ( 0.000 0.455 0.000) 0.455 4.015 ( -0.000 -0.204 -0.000) 0.204 4.399 ( 0.000 0.603 0.000) 0.603 4.513 ( 0.000 0.032 0.000) 0.032 4.633 ( -0.000 -1.161 -0.000) 1.161 4.839 ( 0.000 0.706 0.000) 0.706 5.086 ( 0.000 0.275 0.000) 0.275 5.482 ( -0.000 -0.199 -0.000) 0.199 5.799 ( -0.000 -0.006 -0.000) 0.006 6.017 ( -0.000 -0.281 -0.000) 0.281 6.531 ( 0.000 0.183 0.000) 0.183 6.575 ( 0.000 0.266 0.000) 0.266 6.741 ( 0.000 0.126 0.000) 0.126 6.935 ( -0.000 -0.111 -0.000) 0.111 7.380 ( -0.000 -0.109 -0.000) 0.109 7.445 ( 0.000 0.021 0.000) 0.021 7.655 ( -0.000 -0.171 -0.000) 0.171 7.711 ( -0.000 -0.133 -0.000) 0.133 7.903 ( -0.000 -0.078 -0.000) 0.078 7.908 ( -0.000 -0.137 -0.000) 0.137 16.377 ( 0.000 0.765 0.000) 0.765 16.400 ( 0.000 0.690 0.000) 0.690 17.086 ( -0.000 -1.680 -0.000) 1.680 17.203 ( -0.000 -2.392 -0.000) 2.392 17.898 ( 0.000 0.712 0.000) 0.712 17.956 ( 0.000 0.096 0.000) 0.096 18.999 ( 0.000 0.526 0.000) 0.526 19.033 ( 0.000 0.456 0.000) 0.456 19.193 ( 0.000 1.011 0.000) 1.011 19.210 ( -0.000 -1.971 -0.000) 1.971 19.661 ( 0.000 1.823 0.000) 1.823 20.087 ( -0.000 -2.868 -0.000) 2.868 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 8.770 0.000 8.554) 12.251 0.506 ( 7.759 0.000 6.086) 9.861 0.810 ( -1.742 -0.000 -3.397) 3.817 0.813 ( 1.400 0.000 -0.975) 1.706 1.126 ( -3.860 -0.000 -4.769) 6.135 1.158 ( 1.658 0.000 2.451) 2.959 1.213 ( 11.192 0.000 10.479) 15.332 1.372 ( -0.999 -0.000 -2.523) 2.714 1.433 ( -2.860 -0.000 -3.237) 4.320 1.563 ( -6.991 -0.000 -5.728) 9.038 1.614 ( 0.197 0.000 -5.288) 5.291 1.650 ( 3.732 0.000 -1.144) 3.904 1.750 ( -4.378 -0.000 1.387) 4.592 1.791 ( -0.684 -0.000 1.589) 1.730 1.864 ( -4.073 -0.000 -2.880) 4.989 2.038 ( -6.536 -0.000 -11.186) 12.956 2.093 ( 0.765 0.000 -0.642) 0.998 2.223 ( 6.565 0.000 7.904) 10.275 2.294 ( 3.703 0.000 -0.162) 3.707 2.295 ( 8.139 0.000 11.044) 13.719 2.377 ( -3.268 -0.000 3.838) 5.041 2.382 ( -0.395 -0.000 3.042) 3.067 2.432 ( 3.361 0.000 -0.082) 3.362 2.526 ( -3.297 -0.000 -6.954) 7.696 2.753 ( -2.427 -0.000 2.937) 3.810 2.857 ( 0.990 0.000 3.077) 3.232 2.883 ( 3.585 0.000 -1.638) 3.941 3.043 ( 1.280 0.000 -3.538) 3.763 3.326 ( 0.448 0.000 -1.581) 1.643 3.337 ( -0.148 -0.000 -2.327) 2.331 3.653 ( 0.228 0.000 1.661) 1.676 3.678 ( -1.318 -0.000 0.640) 1.466 3.749 ( -3.037 -0.000 -0.865) 3.158 3.757 ( -1.067 -0.000 0.184) 1.083 3.986 ( -0.366 -0.000 1.805) 1.841 3.996 ( -1.826 -0.000 -0.597) 1.921 4.447 ( 1.666 0.000 1.782) 2.440 4.500 ( 0.091 0.000 -0.074) 0.118 4.752 ( -3.106 -0.000 -3.665) 4.805 4.781 ( 2.247 0.000 2.314) 3.225 5.290 ( 5.828 0.000 6.650) 8.843 5.304 ( -5.888 -0.000 -6.641) 8.876 5.892 ( 2.984 0.000 3.633) 4.701 5.907 ( -3.024 -0.000 -3.338) 4.504 6.539 ( -0.805 -0.000 -0.461) 0.928 6.541 ( 0.355 0.000 0.931) 0.997 6.863 ( -2.362 -0.000 -3.053) 3.860 6.869 ( 2.097 0.000 2.505) 3.267 7.422 ( 0.901 0.000 1.548) 1.791 7.429 ( -1.679 -0.000 -0.634) 1.795 7.687 ( -0.811 -0.000 -0.942) 1.244 7.692 ( 0.891 0.000 0.944) 1.298 7.908 ( 0.141 0.000 0.060) 0.153 7.911 ( 0.033 0.000 -0.067) 0.075 16.369 ( -0.332 -0.000 0.346) 0.479 16.476 ( -2.065 -0.000 0.057) 2.066 17.176 ( 1.474 0.000 1.471) 2.082 17.228 ( -0.310 -0.000 -1.050) 1.095 17.893 ( -1.356 -0.000 -0.390) 1.411 17.940 ( -0.672 -0.000 -0.030) 0.672 19.016 ( 0.882 0.000 0.028) 0.882 19.035 ( 1.884 0.000 0.564) 1.967 19.212 ( 2.291 0.000 -1.243) 2.606 19.263 ( 3.152 0.000 0.502) 3.192 19.754 ( 2.504 0.000 6.084) 6.579 19.905 ( -7.847 -0.000 -5.560) 9.617 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.570 -1.025 5.433) 7.848 0.619 ( 4.137 -3.544 4.145) 6.845 0.806 ( 0.133 -0.887 -2.040) 2.229 0.834 ( 0.390 -3.405 -2.384) 4.175 1.042 ( -4.808 1.497 -3.996) 6.428 1.191 ( 1.934 0.040 0.378) 1.971 1.280 ( 1.683 1.142 -2.612) 3.310 1.331 ( -2.324 4.750 -4.183) 6.743 1.370 ( 1.283 0.744 3.052) 3.393 1.501 ( -3.601 -1.505 -4.646) 6.067 1.630 ( -2.366 -3.033 -3.999) 5.549 1.642 ( -3.183 2.110 -0.875) 3.918 1.702 ( -4.055 1.587 -3.038) 5.309 1.790 ( -1.028 -2.531 -0.044) 2.732 1.836 ( 2.330 0.577 2.791) 3.681 1.960 ( -4.874 -1.095 -5.482) 7.417 2.118 ( 2.150 -1.697 -1.408) 3.080 2.287 ( 3.708 0.044 4.191) 5.596 2.298 ( -0.675 1.499 1.404) 2.162 2.338 ( 0.974 2.393 2.361) 3.500 2.371 ( 1.769 3.207 0.707) 3.730 2.423 ( -1.972 -0.863 0.006) 2.152 2.485 ( 5.331 0.601 5.599) 7.754 2.506 ( 7.047 -1.376 5.157) 8.840 2.748 ( -2.416 -0.048 2.799) 3.698 2.896 ( 1.292 -1.466 3.087) 3.653 2.927 ( 3.278 -1.962 0.145) 3.823 3.049 ( 1.416 -1.267 -2.988) 3.541 3.319 ( -0.191 -0.128 -2.195) 2.207 3.326 ( 0.017 -0.147 -2.264) 2.269 3.650 ( -3.140 0.486 -1.713) 3.610 3.655 ( -0.752 0.260 0.596) 0.994 3.728 ( -0.384 0.680 1.298) 1.515 3.750 ( -0.885 0.365 0.379) 1.030 3.971 ( -1.069 0.400 -0.241) 1.166 3.996 ( -1.026 -0.514 0.465) 1.238 4.470 ( 1.571 -0.129 1.667) 2.295 4.497 ( 0.016 0.413 -0.104) 0.426 4.705 ( -3.719 -0.047 -4.427) 5.782 4.806 ( 1.887 -0.017 1.832) 2.630 5.224 ( -5.623 0.015 -6.555) 8.636 5.365 ( 4.934 -0.048 5.640) 7.494 5.869 ( -2.494 0.168 -2.709) 3.687 5.934 ( 2.977 0.029 3.627) 4.692 6.532 ( -0.590 -0.154 -0.361) 0.709 6.550 ( 0.551 -0.092 1.144) 1.273 6.827 ( -2.581 0.053 -3.322) 4.207 6.894 ( 1.849 0.151 2.090) 2.794 7.411 ( -1.316 0.215 -0.797) 1.554 7.435 ( 0.808 0.122 1.363) 1.589 7.675 ( -0.793 0.129 -0.884) 1.195 7.702 ( 0.764 0.170 0.811) 1.127 7.908 ( 0.125 0.104 0.052) 0.170 7.910 ( 0.028 0.092 -0.058) 0.113 16.371 ( -0.491 -0.510 0.031) 0.709 16.456 ( -1.241 0.449 -0.252) 1.344 17.176 ( 1.073 1.959 0.950) 2.427 17.210 ( -0.010 1.360 -0.610) 1.490 17.884 ( -0.957 -0.327 -0.324) 1.062 17.940 ( -0.653 -0.513 -0.156) 0.844 19.022 ( 1.496 0.566 0.479) 1.670 19.053 ( 1.534 -0.017 0.806) 1.733 19.220 ( 1.772 0.463 -1.036) 2.104 19.283 ( 2.207 0.572 0.448) 2.323 19.795 ( -2.070 0.465 0.565) 2.196 19.830 ( -2.783 -1.183 -0.469) 3.060 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.756 0.716 -0.331) 1.092 0.712 ( 1.064 -3.859 -1.023) 4.132 0.798 ( -1.560 -0.496 -0.582) 1.737 0.919 ( 0.908 -4.979 0.191) 5.064 0.974 ( -0.899 1.202 -3.564) 3.867 1.138 ( -0.249 3.251 -5.098) 6.051 1.235 ( -0.900 3.240 -0.524) 3.403 1.297 ( 1.190 -1.954 -2.067) 3.083 1.375 ( 0.515 0.302 2.405) 2.478 1.466 ( -8.188 -1.592 -5.297) 9.881 1.567 ( -1.524 2.921 -0.229) 3.303 1.603 ( -2.607 -2.333 -2.911) 4.551 1.682 ( 0.099 0.913 -1.336) 1.622 1.820 ( 0.008 -1.437 -1.138) 1.834 1.843 ( -2.049 0.895 2.119) 3.080 1.992 ( 2.778 -4.505 0.742) 5.344 2.143 ( 0.913 1.152 1.389) 2.023 2.253 ( -3.605 2.410 4.750) 6.432 2.285 ( 1.349 2.225 -5.239) 5.850 2.321 ( 2.233 2.189 1.385) 3.420 2.328 ( 0.312 3.591 -1.557) 3.926 2.404 ( 0.000 -1.103 -1.915) 2.210 2.525 ( 1.572 -1.975 2.397) 3.481 2.672 ( 11.840 -0.259 12.672) 17.345 2.745 ( -1.526 0.241 3.876) 4.173 2.932 ( 1.402 -0.359 -1.012) 1.765 2.996 ( 1.260 -2.743 3.188) 4.391 3.077 ( 1.497 -1.772 -1.067) 2.554 3.304 ( -1.395 -0.440 -3.416) 3.716 3.320 ( -0.090 -0.187 -1.471) 1.486 3.604 ( -2.719 0.676 -2.267) 3.604 3.647 ( -0.687 0.211 0.064) 0.722 3.712 ( -0.714 1.543 0.365) 1.739 3.751 ( 0.608 -0.282 1.914) 2.028 3.959 ( -0.796 -0.190 -0.843) 1.175 4.000 ( -0.665 -0.490 0.312) 0.883 4.478 ( -0.127 0.814 -0.203) 0.848 4.498 ( 1.232 -0.038 1.321) 1.807 4.653 ( -3.827 -0.023 -4.567) 5.959 4.830 ( 1.498 -0.231 1.452) 2.099 5.156 ( -4.251 -0.053 -5.051) 6.602 5.423 ( 3.478 0.001 3.990) 5.293 5.836 ( -1.764 0.283 -1.905) 2.612 5.971 ( 2.409 0.030 2.907) 3.775 6.531 ( -0.339 -0.261 -0.238) 0.489 6.563 ( 0.771 -0.113 1.235) 1.460 6.790 ( -2.436 0.082 -3.074) 3.923 6.914 ( 1.369 0.096 1.513) 2.042 7.395 ( -0.879 0.229 -0.711) 1.153 7.444 ( 0.633 0.185 0.961) 1.165 7.663 ( -0.625 0.164 -0.693) 0.947 7.707 ( 0.554 0.235 0.606) 0.855 7.907 ( 0.073 0.170 0.028) 0.187 7.908 ( 0.022 0.131 -0.031) 0.137 16.379 ( -0.409 -0.832 -0.190) 0.946 16.441 ( -0.577 0.350 -0.247) 0.719 17.140 ( 0.233 2.898 -0.012) 2.907 17.181 ( 0.465 2.032 0.254) 2.100 17.887 ( -0.472 -0.810 -0.199) 0.958 17.944 ( -0.501 -0.632 -0.205) 0.832 19.026 ( 1.615 0.860 0.805) 1.999 19.065 ( 0.952 0.313 0.690) 1.217 19.211 ( 0.622 1.072 -0.934) 1.552 19.281 ( 0.836 1.162 0.218) 1.448 19.736 ( -4.603 -0.161 -3.408) 5.730 19.880 ( 1.816 -1.701 3.338) 4.163 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -4.721 4.313 -4.147) 7.622 0.715 ( -3.845 -0.915 -3.986) 5.614 0.843 ( -1.055 -0.626 -1.577) 1.998 0.890 ( 1.719 1.021 3.178) 3.754 1.054 ( 1.908 -4.138 0.436) 4.577 1.101 ( 2.498 -1.763 -4.682) 5.592 1.178 ( -2.982 0.694 0.953) 3.206 1.308 ( -0.167 0.498 -3.296) 3.338 1.404 ( -2.859 -1.907 3.519) 4.918 1.424 ( -0.989 -2.372 -2.527) 3.604 1.517 ( 0.256 2.786 0.524) 2.847 1.606 ( 0.782 4.084 -0.600) 4.202 1.694 ( -1.296 -7.646 -1.626) 7.924 1.780 ( -0.098 2.909 -0.802) 3.019 1.871 ( -0.829 -1.853 0.825) 2.192 2.044 ( 0.415 4.739 2.062) 5.184 2.114 ( 0.590 -0.392 -2.429) 2.530 2.201 ( -0.624 4.300 2.383) 4.956 2.244 ( -1.033 3.939 -0.688) 4.130 2.274 ( -0.170 -0.862 2.669) 2.810 2.306 ( 1.185 -1.892 -4.869) 5.356 2.446 ( 0.844 -2.562 0.298) 2.714 2.575 ( 0.914 -1.108 1.175) 1.856 2.749 ( -0.046 0.106 3.707) 3.709 2.812 ( 7.614 0.109 8.085) 11.107 2.914 ( -0.681 1.688 -2.792) 3.333 3.059 ( 0.657 -1.947 2.079) 2.923 3.122 ( 2.753 -1.091 2.536) 3.899 3.277 ( -2.930 -0.804 -4.397) 5.344 3.312 ( -0.518 0.125 -0.884) 1.033 3.568 ( -1.314 0.511 -1.509) 2.065 3.641 ( -0.415 -0.123 -0.289) 0.521 3.677 ( -0.464 1.822 -0.099) 1.883 3.781 ( 1.160 -1.175 1.779) 2.427 3.957 ( -0.295 -0.462 -0.476) 0.726 4.004 ( -0.488 -0.431 -0.126) 0.663 4.456 ( -0.242 1.237 -0.296) 1.295 4.513 ( 0.737 -0.001 0.808) 1.094 4.608 ( -2.623 -0.221 -3.109) 4.074 4.850 ( 0.821 -0.200 0.852) 1.200 5.111 ( -2.237 -0.007 -2.639) 3.460 5.459 ( 1.788 -0.076 2.058) 2.728 5.813 ( -0.906 0.310 -0.997) 1.383 5.998 ( 1.362 -0.039 1.623) 2.119 6.532 ( -0.135 -0.218 -0.118) 0.282 6.576 ( 0.689 -0.050 0.917) 1.148 6.759 ( -1.640 0.096 -1.990) 2.580 6.927 ( 0.713 0.021 0.800) 1.072 7.383 ( -0.433 0.164 -0.426) 0.629 7.448 ( 0.355 0.176 0.466) 0.612 7.654 ( -0.336 0.098 -0.383) 0.519 7.709 ( 0.288 0.182 0.330) 0.474 7.904 ( 0.023 0.161 0.009) 0.163 7.906 ( 0.007 0.096 -0.009) 0.096 16.389 ( -0.217 -0.690 -0.196) 0.749 16.431 ( -0.225 0.411 -0.171) 0.499 17.092 ( -0.075 2.399 -0.186) 2.407 17.154 ( 0.333 1.447 0.316) 1.518 17.899 ( -0.105 -0.853 -0.077) 0.863 17.950 ( -0.278 -0.469 -0.159) 0.568 19.027 ( 1.158 0.753 0.855) 1.625 19.063 ( 0.247 0.639 0.225) 0.721 19.188 ( -0.216 1.218 -0.693) 1.418 19.261 ( -0.070 1.439 -0.055) 1.442 19.706 ( -1.916 -0.706 -1.650) 2.625 19.936 ( 1.278 -1.994 1.705) 2.918 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 5.263 0.000) 5.263 0.692 ( 0.000 0.905 0.000) 0.905 0.745 ( 0.000 6.477 0.000) 6.477 0.977 ( -0.000 -5.007 -0.000) 5.007 1.081 ( -0.000 -1.092 -0.000) 1.092 1.137 ( 0.000 3.582 0.000) 3.582 1.207 ( -0.000 -4.046 -0.000) 4.046 1.292 ( -0.000 -3.371 -0.000) 3.371 1.433 ( -0.000 -0.644 -0.000) 0.644 1.469 ( -0.000 -3.074 -0.000) 3.074 1.480 ( 0.000 1.792 0.000) 1.792 1.540 ( 0.000 1.554 0.000) 1.554 1.731 ( 0.000 2.612 0.000) 2.612 1.842 ( -0.000 -9.130 -0.000) 9.130 1.874 ( 0.000 1.283 0.000) 1.283 1.944 ( 0.000 4.936 0.000) 4.936 2.088 ( 0.000 3.145 0.000) 3.145 2.125 ( 0.000 4.851 0.000) 4.851 2.197 ( 0.000 0.685 0.000) 0.685 2.298 ( -0.000 -0.876 -0.000) 0.876 2.376 ( -0.000 -5.631 -0.000) 5.631 2.493 ( -0.000 -2.449 -0.000) 2.449 2.582 ( 0.000 0.951 0.000) 0.951 2.763 ( -0.000 -0.239 -0.000) 0.239 2.831 ( 0.000 4.847 0.000) 4.847 2.879 ( -0.000 -0.548 -0.000) 0.548 3.092 ( -0.000 -1.136 -0.000) 1.136 3.157 ( 0.000 0.590 0.000) 0.590 3.263 ( -0.000 -1.404 -0.000) 1.404 3.304 ( 0.000 0.227 0.000) 0.227 3.551 ( 0.000 0.297 0.000) 0.297 3.642 ( -0.000 -0.098 -0.000) 0.098 3.649 ( 0.000 0.688 0.000) 0.688 3.814 ( -0.000 -1.223 -0.000) 1.223 3.963 ( -0.000 -0.337 -0.000) 0.337 4.007 ( -0.000 -0.277 -0.000) 0.277 4.432 ( 0.000 1.264 0.000) 1.264 4.516 ( 0.000 0.136 0.000) 0.136 4.597 ( -0.000 -0.739 -0.000) 0.739 4.856 ( 0.000 0.138 0.000) 0.138 5.095 ( 0.000 0.174 0.000) 0.174 5.474 ( -0.000 -0.205 -0.000) 0.205 5.803 ( 0.000 0.225 0.000) 0.225 6.009 ( -0.000 -0.157 -0.000) 0.157 6.534 ( -0.000 -0.056 -0.000) 0.056 6.582 ( 0.000 0.079 0.000) 0.079 6.745 ( 0.000 0.116 0.000) 0.116 6.932 ( -0.000 -0.045 -0.000) 0.045 7.379 ( 0.000 0.055 0.000) 0.055 7.448 ( 0.000 0.130 0.000) 0.130 7.651 ( -0.000 -0.025 -0.000) 0.025 7.709 ( 0.000 0.054 0.000) 0.054 7.902 ( 0.000 0.084 0.000) 0.084 7.905 ( 0.000 0.000 0.000) 0.000 16.394 ( -0.000 -0.072 -0.000) 0.072 16.421 ( 0.000 0.567 0.000) 0.567 17.062 ( 0.000 0.860 0.000) 0.860 17.145 ( -0.000 -0.241 -0.000) 0.241 17.909 ( -0.000 -0.314 -0.000) 0.314 17.954 ( -0.000 -0.229 -0.000) 0.229 19.022 ( 0.000 0.727 0.000) 0.727 19.053 ( 0.000 0.663 0.000) 0.663 19.170 ( 0.000 0.199 0.000) 0.199 19.236 ( 0.000 1.429 0.000) 1.429 19.702 ( 0.000 0.089 0.000) 0.089 19.985 ( -0.000 -2.616 -0.000) 2.616 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.258 0.000 2.776) 2.787 0.621 ( 5.016 0.000 5.396) 7.367 0.772 ( 0.037 0.000 -1.297) 1.297 0.816 ( 2.561 0.000 -3.025) 3.963 1.007 ( -3.435 -0.000 -1.180) 3.632 1.205 ( 2.150 0.000 -0.319) 2.173 1.269 ( -1.487 -0.000 -6.637) 6.801 1.314 ( -6.640 -0.000 -1.646) 6.841 1.396 ( -7.212 -0.000 -8.583) 11.211 1.418 ( 2.971 0.000 1.033) 3.145 1.584 ( -1.707 -0.000 -2.665) 3.165 1.625 ( -2.373 -0.000 -2.452) 3.412 1.711 ( 1.512 0.000 -1.181) 1.919 1.740 ( -0.864 -0.000 0.455) 0.977 1.883 ( 2.239 0.000 2.898) 3.662 1.885 ( -3.705 -0.000 -2.590) 4.521 2.122 ( 3.597 0.000 0.034) 3.597 2.286 ( -3.735 -0.000 -1.071) 3.885 2.318 ( 2.651 0.000 1.309) 2.957 2.396 ( -0.619 -0.000 2.321) 2.402 2.398 ( 1.138 0.000 3.639) 3.813 2.446 ( 0.968 0.000 1.068) 1.442 2.483 ( 0.579 0.000 -0.818) 1.002 2.670 ( 13.205 0.000 14.209) 19.398 2.722 ( -2.704 -0.000 -0.381) 2.731 2.911 ( 1.317 0.000 4.444) 4.635 2.949 ( 3.647 0.000 1.563) 3.968 3.029 ( 1.079 0.000 -3.221) 3.397 3.297 ( -1.471 -0.000 -3.436) 3.738 3.315 ( 0.334 0.000 -2.096) 2.122 3.617 ( -3.065 -0.000 -2.289) 3.826 3.653 ( -0.961 -0.000 0.190) 0.980 3.741 ( -0.169 -0.000 1.627) 1.636 3.748 ( -0.453 -0.000 0.294) 0.540 3.959 ( -1.602 -0.000 -0.878) 1.826 3.989 ( -0.660 -0.000 0.607) 0.897 4.488 ( 1.333 0.000 1.352) 1.899 4.501 ( 0.067 0.000 -0.028) 0.073 4.654 ( -3.599 -0.000 -4.259) 5.576 4.825 ( 1.261 0.000 1.120) 1.687 5.154 ( -4.410 -0.000 -5.223) 6.836 5.423 ( 3.611 0.000 4.089) 5.455 5.842 ( -1.769 -0.000 -1.865) 2.570 5.972 ( 2.370 0.000 2.928) 3.767 6.525 ( -0.422 -0.000 -0.251) 0.491 6.561 ( 0.737 0.000 1.355) 1.542 6.792 ( -2.415 -0.000 -3.134) 3.956 6.916 ( 1.270 0.000 1.428) 1.911 7.400 ( -1.025 -0.000 -0.675) 1.227 7.447 ( 0.580 0.000 1.043) 1.194 7.666 ( -0.658 -0.000 -0.691) 0.955 7.712 ( 0.558 0.000 0.580) 0.805 7.910 ( 0.105 0.000 0.044) 0.114 7.911 ( 0.021 0.000 -0.049) 0.053 16.361 ( -0.581 -0.000 -0.160) 0.603 16.448 ( -1.057 -0.000 -0.452) 1.150 17.209 ( 0.957 0.000 0.930) 1.335 17.216 ( -0.074 -0.000 -0.653) 0.658 17.871 ( -0.842 -0.000 -0.341) 0.908 17.930 ( -0.458 -0.000 -0.143) 0.480 19.046 ( 2.004 0.000 0.901) 2.197 19.067 ( 1.131 0.000 0.754) 1.359 19.235 ( 1.630 0.000 -0.717) 1.780 19.304 ( 1.313 0.000 0.150) 1.321 19.738 ( -5.971 -0.000 -4.278) 7.346 19.842 ( 1.699 0.000 4.172) 4.504 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.359 1.621 1.030) 1.953 0.670 ( 0.279 -1.150 -1.252) 1.723 0.816 ( 2.120 1.653 1.294) 2.984 0.821 ( 0.449 -5.549 -0.576) 5.597 0.980 ( -0.933 0.997 -0.185) 1.378 1.169 ( -1.022 3.849 -5.280) 6.614 1.218 ( -2.892 0.304 -2.853) 4.073 1.281 ( -0.861 -1.466 1.887) 2.540 1.345 ( -4.971 -3.380 -4.956) 7.791 1.422 ( 2.625 2.327 0.184) 3.513 1.533 ( -2.665 0.485 -2.477) 3.671 1.606 ( -0.170 1.293 -0.190) 1.318 1.704 ( 1.422 0.229 -0.082) 1.443 1.789 ( 0.542 -2.456 0.077) 2.516 1.844 ( -2.715 0.585 -0.047) 2.778 1.934 ( 1.523 -3.320 1.183) 3.839 2.165 ( 3.951 -0.686 0.742) 4.078 2.243 ( -4.657 0.221 -0.562) 4.696 2.346 ( 0.627 1.822 0.742) 2.064 2.361 ( 1.091 1.525 0.651) 1.985 2.403 ( 0.971 3.515 -0.329) 3.662 2.405 ( -0.819 2.877 0.900) 3.124 2.513 ( 1.419 -1.924 0.658) 2.479 2.718 ( -1.865 -1.672 0.056) 2.505 2.814 ( 7.899 0.124 8.402) 11.532 2.945 ( 1.100 0.205 1.678) 2.017 2.990 ( 1.777 -1.367 2.927) 3.687 3.049 ( 2.054 -2.228 -0.386) 3.055 3.261 ( -2.796 -0.161 -4.338) 5.163 3.311 ( 0.172 -0.138 -1.172) 1.193 3.585 ( -1.557 0.357 -1.424) 2.140 3.644 ( -0.679 0.163 -0.075) 0.702 3.735 ( -0.138 1.127 0.532) 1.253 3.752 ( -0.093 -0.447 0.869) 0.982 3.946 ( -0.765 -0.131 -0.563) 0.959 3.989 ( -0.492 -0.332 0.117) 0.605 4.492 ( 0.117 0.760 0.068) 0.772 4.508 ( 0.676 -0.283 0.680) 1.000 4.610 ( -2.403 0.161 -2.855) 3.735 4.839 ( 0.698 -0.249 0.608) 0.959 5.108 ( -2.344 -0.119 -2.810) 3.661 5.460 ( 1.868 0.065 2.112) 2.821 5.823 ( -0.913 0.174 -0.951) 1.330 5.998 ( 1.310 0.018 1.615) 2.079 6.524 ( -0.198 -0.201 -0.123) 0.308 6.573 ( 0.658 -0.071 1.058) 1.248 6.761 ( -1.605 0.045 -2.077) 2.626 6.929 ( 0.674 0.059 0.745) 1.007 7.390 ( -0.521 0.141 -0.388) 0.664 7.454 ( 0.314 0.121 0.543) 0.639 7.659 ( -0.367 0.112 -0.379) 0.539 7.716 ( 0.293 0.163 0.308) 0.455 7.910 ( 0.014 0.098 -0.021) 0.101 7.910 ( 0.051 0.112 0.019) 0.125 16.362 ( -0.340 -0.589 -0.167) 0.700 16.439 ( -0.467 0.088 -0.248) 0.536 17.188 ( 0.135 2.372 -0.063) 2.377 17.213 ( 0.333 1.035 0.216) 1.109 17.870 ( -0.390 -0.575 -0.171) 0.716 17.931 ( -0.256 -0.457 -0.108) 0.535 19.058 ( 1.495 0.775 0.802) 1.866 19.077 ( 0.477 0.127 0.321) 0.589 19.234 ( 0.754 0.970 -0.320) 1.269 19.303 ( 0.267 0.787 -0.108) 0.839 19.686 ( -3.058 -0.235 -2.234) 3.795 19.879 ( 0.943 -1.166 2.117) 2.595 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 4.428 0.000) 4.428 0.676 ( -0.000 -0.760 -0.000) 0.760 0.817 ( -0.000 -0.556 -0.000) 0.556 0.944 ( -0.000 -8.106 -0.000) 8.106 0.947 ( 0.000 2.457 0.000) 2.457 1.098 ( 0.000 1.850 0.000) 1.850 1.174 ( 0.000 1.632 0.000) 1.632 1.322 ( -0.000 -0.406 -0.000) 0.406 1.356 ( -0.000 -2.471 -0.000) 2.471 1.401 ( 0.000 0.820 0.000) 0.820 1.558 ( -0.000 -5.557 -0.000) 5.557 1.568 ( 0.000 2.738 0.000) 2.738 1.684 ( 0.000 3.315 0.000) 3.315 1.815 ( 0.000 1.586 0.000) 1.586 1.830 ( -0.000 -2.494 -0.000) 2.494 2.032 ( -0.000 -5.964 -0.000) 5.964 2.160 ( 0.000 4.544 0.000) 4.544 2.235 ( -0.000 -2.048 -0.000) 2.048 2.271 ( 0.000 4.042 0.000) 4.042 2.324 ( 0.000 5.259 0.000) 5.259 2.335 ( 0.000 3.773 0.000) 3.773 2.406 ( -0.000 -2.430 -0.000) 2.430 2.556 ( -0.000 -1.878 -0.000) 1.878 2.740 ( -0.000 -1.451 -0.000) 1.451 2.866 ( -0.000 -0.045 -0.000) 0.045 2.934 ( 0.000 1.484 0.000) 1.484 3.035 ( -0.000 -1.901 -0.000) 1.901 3.114 ( -0.000 -2.798 -0.000) 2.798 3.234 ( -0.000 -0.302 -0.000) 0.302 3.309 ( 0.000 0.001 0.000) 0.001 3.568 ( 0.000 0.542 0.000) 0.542 3.639 ( 0.000 0.130 0.000) 0.130 3.709 ( 0.000 1.918 0.000) 1.918 3.769 ( -0.000 -1.128 -0.000) 1.128 3.946 ( -0.000 -0.414 -0.000) 0.414 3.994 ( -0.000 -0.453 -0.000) 0.453 4.475 ( 0.000 1.128 0.000) 1.128 4.517 ( -0.000 -0.153 -0.000) 0.153 4.589 ( 0.000 0.163 0.000) 0.163 4.849 ( -0.000 -0.377 -0.000) 0.377 5.094 ( -0.000 -0.158 -0.000) 0.158 5.471 ( 0.000 0.057 0.000) 0.057 5.813 ( 0.000 0.294 0.000) 0.294 6.007 ( 0.000 0.008 0.000) 0.008 6.527 ( -0.000 -0.294 -0.000) 0.294 6.581 ( -0.000 -0.090 -0.000) 0.090 6.748 ( 0.000 0.073 0.000) 0.073 6.932 ( 0.000 0.058 0.000) 0.058 7.384 ( 0.000 0.196 0.000) 0.196 7.454 ( 0.000 0.186 0.000) 0.186 7.654 ( 0.000 0.150 0.000) 0.150 7.714 ( 0.000 0.232 0.000) 0.232 7.907 ( 0.000 0.165 0.000) 0.165 7.908 ( 0.000 0.152 0.000) 0.152 16.373 ( -0.000 -0.886 -0.000) 0.886 16.435 ( 0.000 0.189 0.000) 0.189 17.140 ( 0.000 3.060 0.000) 3.060 17.188 ( 0.000 1.976 0.000) 1.976 17.882 ( -0.000 -0.974 -0.000) 0.974 17.939 ( -0.000 -0.615 -0.000) 0.615 19.051 ( 0.000 1.010 0.000) 1.010 19.073 ( 0.000 0.437 0.000) 0.437 19.213 ( 0.000 1.632 0.000) 1.632 19.285 ( 0.000 1.320 0.000) 1.320 19.678 ( -0.000 -0.863 -0.000) 0.863 19.913 ( -0.000 -1.731 -0.000) 1.731 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 0.000 0.000) 0.000 0.662 ( 0.000 0.000 0.000) 0.000 0.770 ( 0.000 0.000 -0.000) 0.000 0.854 ( 0.000 0.000 -0.000) 0.000 0.986 ( 0.000 0.000 -0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 -0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.469 ( -0.000 -0.000 -0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 -0.000) 0.000 1.831 ( 0.000 0.000 -0.000) 0.000 1.923 ( 0.000 0.000 -0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.212 ( -0.000 -0.000 0.000) 0.000 2.347 ( 0.000 0.000 -0.000) 0.000 2.403 ( 0.000 0.000 -0.000) 0.000 2.430 ( 0.000 0.000 -0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 -0.000) 0.000 2.867 ( 0.000 0.000 -0.000) 0.000 2.960 ( 0.000 0.000 -0.000) 0.000 2.992 ( 0.000 0.000 -0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 -0.000) 0.000 3.307 ( 0.000 0.000 -0.000) 0.000 3.579 ( 0.000 0.000 -0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 -0.000) 0.000 3.749 ( 0.000 0.000 -0.000) 0.000 3.940 ( 0.000 0.000 -0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 4.502 ( 0.000 0.000 -0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 -0.000) 0.000 5.090 ( 0.000 0.000 -0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 -0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 -0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 -0.000) 0.000 6.934 ( 0.000 0.000 -0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 -0.000) 0.000 7.911 ( 0.000 0.000 -0.000) 0.000 16.354 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 17.213 ( 0.000 0.000 0.000) 0.000 17.221 ( 0.000 0.000 0.000) 0.000 17.862 ( 0.000 0.000 0.000) 0.000 17.925 ( 0.000 0.000 -0.000) 0.000 19.074 ( 0.000 0.000 0.000) 0.000 19.081 ( 0.000 0.000 -0.000) 0.000 19.245 ( 0.000 0.000 -0.000) 0.000 19.311 ( 0.000 0.000 0.000) 0.000 19.665 ( 0.000 0.000 0.000) 0.000 19.878 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 1.489 0.000 10.775) 10.877 0.271 ( 2.083 0.000 13.841) 13.996 0.538 ( 14.967 0.000 25.982) 29.985 0.766 ( 2.302 0.000 2.328) 3.274 0.885 ( -3.127 -0.000 -6.098) 6.853 1.176 ( -2.668 -0.000 -3.192) 4.160 1.296 ( -0.282 -0.000 0.323) 0.429 1.355 ( 7.556 0.000 4.024) 8.560 1.500 ( -2.414 -0.000 -0.615) 2.491 1.591 ( 2.520 0.000 -3.075) 3.976 1.677 ( -1.107 -0.000 -0.224) 1.130 1.690 ( -3.281 -0.000 -5.610) 6.499 1.711 ( 0.989 0.000 1.465) 1.767 1.874 ( 1.191 0.000 -0.776) 1.422 1.890 ( -3.890 -0.000 -1.148) 4.056 2.042 ( 3.978 0.000 3.394) 5.230 2.045 ( 0.718 0.000 -3.197) 3.277 2.137 ( 1.570 0.000 -1.841) 2.420 2.203 ( -2.133 -0.000 1.375) 2.537 2.250 ( -1.494 -0.000 0.969) 1.780 2.372 ( -0.297 -0.000 2.501) 2.519 2.416 ( -0.455 -0.000 4.363) 4.387 2.420 ( -3.066 -0.000 -0.435) 3.097 2.728 ( -4.686 -0.000 -3.358) 5.765 2.763 ( -0.416 -0.000 0.050) 0.419 2.814 ( 1.653 0.000 1.153) 2.015 2.955 ( -7.623 -0.000 -8.252) 11.234 3.060 ( -3.313 -0.000 -4.362) 5.477 3.297 ( 1.038 0.000 -0.387) 1.107 3.336 ( 1.061 0.000 -0.643) 1.240 3.604 ( 2.454 0.000 3.923) 4.627 3.681 ( -0.220 -0.000 1.910) 1.923 3.789 ( -0.551 -0.000 -0.292) 0.623 3.830 ( 3.501 0.000 -3.529) 4.971 3.978 ( 1.694 0.000 2.116) 2.711 4.027 ( 0.196 0.000 0.546) 0.580 4.411 ( 0.240 0.000 2.008) 2.022 4.501 ( -0.310 -0.000 -0.678) 0.745 4.687 ( 3.150 0.000 2.651) 4.117 4.819 ( -0.637 -0.000 -1.385) 1.524 5.120 ( 3.526 0.000 4.216) 5.496 5.454 ( -2.508 -0.000 -3.311) 4.153 5.817 ( 1.330 0.000 1.946) 2.358 6.006 ( -2.303 -0.000 -2.892) 3.697 6.531 ( 0.288 0.000 0.398) 0.491 6.566 ( -0.609 -0.000 -0.395) 0.726 6.788 ( 3.417 0.000 1.852) 3.887 6.923 ( -1.146 -0.000 -1.486) 1.876 7.394 ( 0.657 0.000 1.190) 1.360 7.491 ( -0.518 -0.000 -1.180) 1.288 7.664 ( 0.541 0.000 0.569) 0.785 7.709 ( -0.448 -0.000 -0.521) 0.687 7.905 ( 0.012 0.000 0.061) 0.062 7.910 ( -0.013 -0.000 -0.068) 0.069 16.375 ( -0.158 -0.000 1.438) 1.446 16.511 ( 4.822 0.000 -1.944) 5.199 17.139 ( 0.512 0.000 1.474) 1.560 17.240 ( -0.342 -0.000 -1.057) 1.111 17.911 ( 1.649 0.000 0.409) 1.699 17.948 ( 0.445 0.000 -0.483) 0.657 18.994 ( 0.002 0.000 0.435) 0.435 19.023 ( -0.874 -0.000 -0.274) 0.916 19.179 ( 0.894 0.000 -0.112) 0.901 19.207 ( -6.254 -0.000 -1.196) 6.368 19.680 ( 1.788 0.000 5.706) 5.980 20.081 ( -1.818 -0.000 -4.415) 4.775 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 4.386 -4.534 9.914) 11.751 0.433 ( 5.452 -6.343 9.176) 12.416 0.781 ( 1.194 0.224 -0.423) 1.287 0.797 ( 9.264 -1.946 2.906) 9.902 0.909 ( 5.028 -5.937 9.750) 12.474 1.150 ( -0.454 0.468 -0.306) 0.720 1.244 ( -2.013 2.720 -0.487) 3.419 1.417 ( -0.312 2.723 -5.044) 5.741 1.453 ( -4.965 0.371 -0.701) 5.027 1.587 ( 2.862 -0.854 -0.406) 3.014 1.634 ( -2.315 0.404 -1.814) 2.969 1.662 ( 0.537 0.215 -0.786) 0.976 1.763 ( 2.721 -2.298 1.599) 3.904 1.817 ( -3.152 2.251 -2.110) 4.411 1.879 ( 2.152 1.878 4.635) 5.444 2.019 ( -0.346 1.239 -0.183) 1.300 2.098 ( 6.913 0.590 2.832) 7.494 2.131 ( -0.065 1.529 -2.015) 2.530 2.229 ( -2.207 -1.945 0.307) 2.958 2.297 ( -0.594 -5.611 -3.914) 6.867 2.330 ( 0.565 4.650 1.885) 5.049 2.393 ( -2.422 0.706 1.882) 3.147 2.482 ( -0.264 -3.857 0.998) 3.993 2.620 ( -8.217 0.702 -12.244) 14.762 2.781 ( 0.358 1.261 3.895) 4.110 2.844 ( 2.163 -1.736 3.269) 4.287 2.911 ( -3.956 -3.444 -4.009) 6.602 3.025 ( -1.239 -0.737 -4.303) 4.538 3.303 ( 1.103 0.036 -0.291) 1.141 3.336 ( 0.057 -0.235 -1.422) 1.443 3.637 ( 1.807 0.431 3.547) 4.004 3.687 ( 0.204 0.494 2.351) 2.412 3.763 ( -0.419 1.739 -0.820) 1.968 3.813 ( -1.565 0.404 -3.049) 3.451 3.979 ( 0.636 1.293 2.320) 2.732 4.028 ( -0.269 0.068 -0.015) 0.277 4.426 ( 0.758 -0.101 2.224) 2.351 4.497 ( -0.134 -0.056 -0.675) 0.690 4.724 ( 3.171 0.385 2.911) 4.321 4.800 ( -1.786 -0.079 -2.223) 2.853 5.183 ( 5.269 -0.186 6.155) 8.105 5.404 ( -4.319 0.178 -5.181) 6.747 5.842 ( 2.148 0.058 2.851) 3.570 5.964 ( -2.995 0.324 -3.533) 4.643 6.536 ( 0.350 -0.089 0.586) 0.689 6.557 ( -0.828 -0.027 -0.577) 1.009 6.816 ( 2.952 0.565 2.679) 4.027 6.902 ( -1.759 0.050 -2.253) 2.859 7.406 ( 0.857 0.172 1.530) 1.762 7.462 ( -1.362 1.054 -0.701) 1.860 7.672 ( 0.831 0.135 0.804) 1.164 7.700 ( -0.636 0.101 -0.769) 1.003 7.905 ( 0.049 0.070 0.071) 0.111 7.909 ( 0.007 0.090 -0.079) 0.120 16.384 ( -0.278 -0.339 1.436) 1.502 16.485 ( 0.835 2.533 -0.695) 2.756 17.138 ( 0.880 1.578 1.801) 2.551 17.217 ( -0.402 1.529 -1.412) 2.120 17.912 ( -0.150 0.325 0.463) 0.585 17.952 ( 0.281 -0.329 -0.529) 0.683 18.998 ( 0.713 0.157 0.537) 0.906 19.017 ( -0.640 -0.251 -0.521) 0.863 19.180 ( 0.052 -0.368 -0.050) 0.375 19.200 ( 0.836 -0.528 -0.417) 1.073 19.733 ( 2.203 -0.548 6.706) 7.080 20.024 ( -4.105 0.963 -5.873) 7.230 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 4.531 -5.949 7.381) 10.508 0.618 ( 4.592 -6.449 4.485) 9.099 0.783 ( 1.081 -0.994 -3.810) 4.083 0.847 ( 3.121 -2.858 -5.659) 7.066 1.107 ( 3.432 -2.697 5.665) 7.152 1.137 ( 0.606 2.221 1.880) 2.972 1.191 ( -3.911 1.162 0.088) 4.081 1.293 ( -1.828 2.764 -5.173) 6.143 1.419 ( -2.335 -0.202 1.983) 3.070 1.546 ( -2.307 2.687 -4.091) 5.411 1.621 ( -1.422 1.144 0.274) 1.845 1.732 ( 6.332 -1.264 4.721) 7.999 1.759 ( -3.898 -0.143 -2.117) 4.438 1.832 ( 1.260 -2.669 1.264) 3.211 1.886 ( -2.860 -0.575 4.327) 5.219 2.003 ( 1.650 2.962 1.797) 3.837 2.085 ( -2.956 -1.525 -7.781) 8.462 2.148 ( 8.896 4.377 3.263) 10.438 2.227 ( 1.781 2.838 2.089) 3.948 2.251 ( -0.679 -0.645 -3.116) 3.253 2.361 ( -1.728 0.110 1.016) 2.007 2.388 ( 1.074 -1.939 1.946) 2.950 2.491 ( -5.645 0.771 -9.625) 11.185 2.535 ( -0.761 -2.751 -0.753) 2.952 2.768 ( 0.123 2.681 5.659) 6.263 2.907 ( -0.081 -1.900 -0.098) 1.904 2.958 ( 0.830 -4.773 0.623) 4.885 3.025 ( 0.428 -1.690 -2.945) 3.422 3.312 ( 0.599 -0.373 -0.098) 0.712 3.334 ( -0.478 -0.531 -1.496) 1.658 3.652 ( 0.796 0.765 2.408) 2.649 3.685 ( -0.501 1.114 1.006) 1.583 3.727 ( -0.245 1.270 0.066) 1.295 3.768 ( -2.186 1.471 -2.236) 3.456 3.979 ( 0.044 0.287 1.504) 1.532 4.020 ( -0.429 0.237 -0.601) 0.775 4.448 ( 1.141 -0.284 2.140) 2.442 4.490 ( -0.315 0.292 -0.959) 1.051 4.756 ( 2.986 0.315 2.964) 4.219 4.772 ( -2.799 -0.262 -3.218) 4.273 5.263 ( 5.751 -0.115 6.697) 8.829 5.332 ( -5.508 0.183 -6.506) 8.526 5.877 ( 2.807 0.077 3.488) 4.478 5.918 ( -2.949 0.289 -3.567) 4.637 6.544 ( 0.401 -0.079 0.690) 0.802 6.549 ( -0.729 -0.076 -0.558) 0.921 6.846 ( 2.699 0.242 2.860) 3.940 6.872 ( -2.236 0.046 -2.840) 3.615 7.416 ( 0.919 0.285 1.516) 1.795 7.434 ( -1.259 0.626 -0.903) 1.671 7.680 ( 0.700 0.228 0.761) 1.059 7.689 ( -0.573 0.122 -0.769) 0.966 7.904 ( 0.060 0.106 0.069) 0.140 7.907 ( 0.025 0.119 -0.073) 0.141 16.394 ( -0.447 -0.501 0.927) 1.145 16.455 ( 0.213 1.275 -0.389) 1.350 17.121 ( 0.785 2.152 1.665) 2.832 17.174 ( -0.190 2.262 -1.389) 2.661 17.910 ( -0.712 -0.218 0.492) 0.893 17.957 ( 0.086 -0.336 -0.592) 0.686 18.998 ( 0.026 0.347 0.106) 0.364 19.021 ( 0.913 -0.252 0.018) 0.947 19.190 ( 0.000 -0.733 -0.648) 0.978 19.218 ( 2.470 0.015 0.528) 2.526 19.793 ( 2.158 -0.577 6.199) 6.589 19.935 ( -4.962 1.463 -5.892) 7.841 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.191 -2.352 1.931) 3.049 0.777 ( 0.877 -6.509 -1.621) 6.765 0.801 ( 3.867 -2.016 -1.115) 4.501 0.910 ( 4.928 -3.825 -4.018) 7.420 1.060 ( -8.724 1.859 -2.632) 9.300 1.099 ( -3.287 2.449 -1.243) 4.283 1.157 ( 1.198 0.395 2.319) 2.640 1.310 ( 2.399 -2.075 2.199) 3.860 1.401 ( -2.335 2.396 0.056) 3.346 1.486 ( 1.004 1.762 0.481) 2.084 1.591 ( -2.283 1.204 1.698) 3.090 1.724 ( -2.424 -0.575 -4.214) 4.896 1.774 ( 0.189 0.539 2.024) 2.103 1.834 ( -7.683 2.136 -5.404) 9.633 1.895 ( 0.330 -1.340 -0.143) 1.387 1.975 ( -0.309 -1.687 -1.495) 2.275 2.056 ( 2.265 2.729 -1.843) 3.997 2.153 ( 4.495 1.091 1.221) 4.784 2.244 ( 3.257 1.137 3.321) 4.788 2.260 ( 2.103 -1.350 -2.542) 3.565 2.335 ( -3.194 0.909 0.778) 3.411 2.416 ( -1.304 -0.555 -2.486) 2.862 2.478 ( 6.962 -1.160 7.998) 10.667 2.568 ( -0.242 -1.900 -0.092) 1.918 2.753 ( 0.223 2.889 7.126) 7.692 2.916 ( -0.158 -0.741 -4.095) 4.164 3.035 ( -0.423 -2.551 -1.168) 2.838 3.065 ( 2.465 -2.165 2.485) 4.115 3.321 ( -0.253 -0.575 -0.450) 0.773 3.333 ( -0.752 -0.707 -1.083) 1.496 3.645 ( -2.071 1.394 -1.508) 2.916 3.652 ( -0.102 0.523 0.702) 0.881 3.712 ( -1.705 1.410 -1.870) 2.897 3.729 ( 1.627 0.723 2.371) 2.965 3.976 ( -0.852 0.087 -0.292) 0.905 4.015 ( 0.207 -0.059 0.100) 0.237 4.470 ( -0.021 0.222 -0.080) 0.237 4.475 ( 0.660 0.134 0.694) 0.967 4.731 ( -3.753 -0.281 -4.222) 5.656 4.791 ( 2.703 -0.034 2.873) 3.945 5.252 ( -5.633 0.070 -6.672) 8.732 5.340 ( 5.179 -0.073 6.042) 7.958 5.874 ( -2.621 0.278 -3.160) 4.115 5.917 ( 3.066 0.027 3.632) 4.753 6.543 ( -0.509 -0.072 -0.451) 0.684 6.552 ( 0.568 0.010 0.816) 0.994 6.837 ( -2.573 -0.000 -3.165) 4.079 6.877 ( 2.264 0.016 2.512) 3.382 7.411 ( -1.110 0.334 -1.050) 1.564 7.426 ( 0.891 0.249 1.261) 1.564 7.674 ( -0.731 0.126 -0.806) 1.095 7.690 ( 0.757 0.129 0.746) 1.071 7.903 ( 0.034 0.086 0.051) 0.106 7.905 ( 0.029 0.069 -0.050) 0.090 16.402 ( -0.487 -0.447 0.282) 0.718 16.438 ( 0.010 0.617 -0.492) 0.789 17.096 ( -0.056 1.698 0.631) 1.812 17.136 ( 0.512 1.487 -0.403) 1.623 17.912 ( -0.654 -0.309 0.405) 0.829 17.959 ( 0.017 -0.219 -0.652) 0.688 18.995 ( 0.215 0.127 0.448) 0.513 19.033 ( 1.214 0.055 0.320) 1.256 19.194 ( -0.497 -0.463 -1.469) 1.618 19.240 ( 1.842 0.087 1.134) 2.164 19.821 ( -2.852 0.739 -1.331) 3.232 19.873 ( 0.822 -0.106 1.376) 1.606 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -5.196 -0.214 -2.391) 5.723 0.770 ( -0.692 0.741 -6.395) 6.475 0.886 ( -3.869 0.982 -0.045) 3.992 0.962 ( -4.142 -2.488 -4.564) 6.647 1.026 ( 6.416 -4.248 0.237) 7.699 1.056 ( -2.369 -0.922 1.762) 3.093 1.166 ( 0.167 1.554 2.502) 2.950 1.330 ( -1.110 0.417 0.321) 1.228 1.391 ( 3.110 -0.441 1.283) 3.393 1.472 ( 0.975 1.350 0.609) 1.773 1.550 ( -1.833 2.106 0.448) 2.828 1.680 ( -10.686 -1.447 -4.824) 11.813 1.691 ( -0.460 3.251 -3.693) 4.941 1.808 ( 1.051 -3.751 -0.965) 4.013 1.909 ( 2.711 1.033 -1.547) 3.287 1.970 ( -0.274 0.834 -4.482) 4.567 2.028 ( -0.562 0.419 -0.252) 0.745 2.153 ( 1.838 1.548 -1.890) 3.057 2.233 ( -1.981 1.922 -0.830) 2.882 2.272 ( 0.291 1.127 4.313) 4.467 2.363 ( 0.358 -5.578 0.626) 5.625 2.448 ( 2.284 -1.883 1.216) 3.200 2.578 ( 1.925 0.720 1.360) 2.465 2.628 ( 8.794 -1.028 11.255) 14.320 2.744 ( 0.684 2.870 7.625) 8.175 2.890 ( -0.427 0.810 -4.678) 4.767 3.053 ( 0.703 -0.577 -1.382) 1.654 3.118 ( 0.465 -0.657 3.337) 3.433 3.323 ( -1.017 -0.824 -1.594) 2.063 3.332 ( -1.102 -0.384 -0.448) 1.250 3.598 ( -2.300 0.499 -2.482) 3.421 3.649 ( -0.066 0.127 -0.085) 0.167 3.670 ( -1.188 0.756 -1.831) 2.309 3.755 ( 2.669 0.019 2.791) 3.862 3.965 ( -0.529 0.126 -0.910) 1.060 4.020 ( 0.066 -0.102 0.126) 0.175 4.447 ( -0.869 0.819 -0.943) 1.521 4.495 ( 1.079 -0.212 1.234) 1.653 4.684 ( -4.058 -0.471 -4.644) 6.185 4.824 ( 1.984 0.007 2.313) 3.047 5.179 ( -4.771 0.018 -5.601) 7.358 5.405 ( 4.037 -0.126 4.654) 6.163 5.837 ( -2.039 0.221 -2.404) 3.160 5.958 ( 2.786 -0.089 3.192) 4.238 6.538 ( -0.273 0.026 -0.310) 0.414 6.561 ( 0.784 0.130 0.938) 1.229 6.801 ( -2.650 -0.037 -3.098) 4.077 6.904 ( 1.658 -0.082 1.898) 2.521 7.394 ( -0.873 0.123 -0.964) 1.306 7.435 ( 0.750 0.144 0.945) 1.215 7.663 ( -0.675 -0.016 -0.791) 1.040 7.698 ( 0.632 0.025 0.694) 0.939 7.902 ( -0.015 0.025 0.029) 0.041 7.905 ( 0.015 -0.028 -0.025) 0.040 16.403 ( -0.434 0.017 -0.044) 0.436 16.427 ( -0.155 0.372 -0.667) 0.779 17.074 ( -0.718 0.405 -0.143) 0.837 17.132 ( 0.784 -0.334 0.390) 0.937 17.913 ( -0.326 -0.026 0.396) 0.513 17.958 ( 0.055 0.002 -0.747) 0.749 19.003 ( 0.471 -0.193 1.154) 1.261 19.039 ( 0.758 0.360 0.377) 0.920 19.184 ( -1.074 -0.245 -2.237) 2.493 19.252 ( 0.179 0.068 1.269) 1.284 19.759 ( -3.280 1.156 -3.184) 4.715 19.922 ( 3.347 -1.164 3.238) 4.800 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -10.961 1.105 -3.920) 11.693 0.692 ( -4.979 4.372 -2.972) 7.262 0.758 ( -7.411 2.547 -4.199) 8.890 0.959 ( 1.716 2.170 -2.574) 3.779 1.044 ( -2.452 7.799 1.426) 8.299 1.111 ( 0.555 -2.533 1.701) 3.101 1.170 ( 4.788 -3.048 -0.495) 5.698 1.350 ( 2.984 -1.369 1.271) 3.520 1.423 ( 0.194 -1.216 0.153) 1.240 1.476 ( 0.970 -1.794 -3.364) 3.933 1.528 ( -1.437 -2.497 0.685) 2.961 1.616 ( -0.875 1.539 -2.427) 3.004 1.680 ( -3.217 -3.788 0.532) 4.998 1.826 ( 0.860 2.720 -1.600) 3.270 1.898 ( 2.110 1.197 -0.992) 2.621 1.990 ( 1.559 -5.072 -2.656) 5.934 2.004 ( -4.677 -0.617 0.037) 4.718 2.125 ( -0.018 2.108 0.823) 2.263 2.191 ( -0.424 0.637 -1.170) 1.398 2.285 ( 0.526 -0.621 0.088) 0.818 2.452 ( 0.420 -2.522 2.315) 3.449 2.501 ( 1.830 -0.941 0.438) 2.104 2.564 ( 1.342 2.196 2.037) 3.282 2.726 ( 0.842 3.056 4.309) 5.350 2.747 ( 3.585 0.205 4.854) 6.038 2.864 ( 2.009 0.766 1.673) 2.724 3.060 ( 2.291 0.558 0.496) 2.409 3.133 ( 0.006 0.722 3.098) 3.181 3.317 ( -1.889 -1.149 -3.082) 3.793 3.323 ( -1.476 -0.050 -0.148) 1.484 3.568 ( -1.868 -0.125 -2.280) 2.950 3.642 ( -0.435 0.070 -0.341) 0.557 3.660 ( -0.241 -0.934 -1.495) 1.780 3.792 ( 3.031 -0.062 2.230) 3.763 3.955 ( 0.220 0.338 -0.822) 0.915 4.019 ( -0.279 0.003 -0.312) 0.419 4.423 ( -0.907 0.717 -0.300) 1.194 4.509 ( 0.554 -0.035 0.624) 0.835 4.645 ( -3.047 -0.905 -3.767) 4.929 4.842 ( 0.990 0.365 1.351) 1.714 5.123 ( -3.225 0.134 -3.637) 4.863 5.452 ( 2.554 -0.186 2.803) 3.796 5.812 ( -1.239 0.090 -1.371) 1.850 5.993 ( 1.948 -0.214 2.146) 2.906 6.534 ( -0.094 0.151 -0.187) 0.258 6.569 ( 0.847 0.248 0.920) 1.275 6.768 ( -2.255 -0.022 -2.483) 3.354 6.924 ( 0.966 -0.115 1.120) 1.483 7.384 ( -0.528 -0.028 -0.617) 0.812 7.442 ( 0.469 0.061 0.617) 0.777 7.657 ( -0.437 -0.134 -0.555) 0.719 7.705 ( 0.377 -0.091 0.457) 0.599 7.902 ( -0.055 -0.044 0.017) 0.072 7.906 ( -0.008 -0.116 -0.013) 0.117 16.395 ( -0.378 0.568 0.112) 0.691 16.414 ( -0.332 0.443 -1.020) 1.160 17.074 ( -0.884 -1.098 0.039) 1.410 17.159 ( 0.520 -1.916 0.223) 1.998 17.910 ( -0.124 0.407 0.399) 0.583 17.953 ( 0.233 0.172 -0.830) 0.879 19.015 ( -0.099 -0.082 1.125) 1.133 19.037 ( 0.304 0.486 0.475) 0.745 19.169 ( -0.916 -0.407 -2.225) 2.440 19.256 ( -1.388 -0.423 1.496) 2.084 19.703 ( -1.582 1.686 -1.738) 2.892 19.991 ( 3.664 -2.082 1.742) 4.560 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -14.697 2.290 -2.252) 15.044 0.495 ( -10.444 8.406 -2.091) 13.569 0.693 ( -0.460 2.624 -1.008) 2.848 0.772 ( -3.533 13.191 3.704) 14.150 0.988 ( 3.267 1.755 -0.686) 3.771 1.153 ( 0.224 -1.561 0.872) 1.802 1.231 ( 4.422 0.601 -0.750) 4.525 1.410 ( 2.460 -1.950 0.810) 3.242 1.449 ( -3.402 -1.260 -2.752) 4.554 1.488 ( 3.458 -3.866 -6.865) 8.604 1.569 ( 2.945 -0.129 -2.828) 4.085 1.654 ( 0.655 -6.216 5.857) 8.566 1.729 ( 0.068 -1.223 -0.017) 1.225 1.795 ( -3.688 -1.422 0.680) 4.011 1.889 ( 0.830 -0.118 -1.269) 1.521 1.967 ( -4.003 -0.621 -0.069) 4.052 2.062 ( -1.186 1.075 2.833) 3.254 2.138 ( 2.848 -4.362 -0.362) 5.223 2.189 ( 0.733 -0.211 0.194) 0.788 2.293 ( -0.385 -1.117 -3.104) 3.321 2.443 ( -0.345 3.751 1.384) 4.014 2.507 ( 2.095 2.974 -2.981) 4.703 2.547 ( 0.647 1.863 2.511) 3.193 2.702 ( -1.122 0.079 3.734) 3.900 2.770 ( 1.205 -0.117 0.483) 1.303 2.872 ( -0.330 1.603 1.101) 1.973 3.084 ( 2.791 0.019 1.225) 3.048 3.128 ( -0.420 1.216 1.778) 2.194 3.300 ( -1.708 -0.548 -2.895) 3.405 3.316 ( -0.830 -0.507 -0.611) 1.149 3.553 ( -0.474 -0.239 -0.492) 0.724 3.646 ( 0.048 -0.632 1.010) 1.192 3.671 ( -0.046 -1.100 -0.781) 1.350 3.819 ( 2.394 0.432 0.860) 2.581 3.949 ( 0.680 0.421 -0.552) 0.972 4.015 ( -0.089 -0.026 -0.191) 0.212 4.407 ( -0.735 0.419 0.564) 1.017 4.512 ( 0.103 0.054 0.093) 0.149 4.633 ( -0.792 -1.073 -1.459) 1.976 4.840 ( 0.011 0.644 0.266) 0.697 5.090 ( -1.186 0.228 -1.176) 1.686 5.478 ( 0.849 -0.182 0.743) 1.143 5.801 ( -0.365 -0.016 -0.246) 0.440 6.015 ( 0.683 -0.262 0.637) 0.970 6.530 ( 0.048 0.205 -0.045) 0.215 6.574 ( 0.457 0.276 0.545) 0.763 6.745 ( -1.059 0.070 -1.033) 1.481 6.934 ( 0.254 -0.110 0.255) 0.376 7.381 ( -0.113 -0.110 -0.072) 0.173 7.447 ( 0.240 -0.051 0.646) 0.691 7.655 ( -0.107 -0.171 -0.177) 0.268 7.711 ( 0.081 -0.140 0.136) 0.211 7.903 ( -0.059 -0.084 0.021) 0.105 7.908 ( -0.025 -0.144 -0.022) 0.148 16.382 ( -0.283 0.693 0.552) 0.930 16.397 ( 0.003 0.719 -0.496) 0.873 17.094 ( -0.799 -1.799 0.431) 2.015 17.200 ( 0.187 -2.382 -0.215) 2.399 17.901 ( -0.192 0.674 0.372) 0.793 17.949 ( 0.536 0.216 -0.722) 0.925 19.009 ( -1.183 0.314 0.041) 1.224 19.036 ( 0.073 0.350 0.708) 0.793 19.165 ( -0.107 -0.549 -1.179) 1.305 19.264 ( -2.447 -1.450 1.423) 3.180 19.662 ( 0.015 1.846 0.326) 1.874 20.060 ( 2.952 -2.258 -0.349) 3.733 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( -5.583 3.257 9.181) 11.228 0.260 ( -5.915 9.343 3.449) 11.584 0.511 ( -0.873 14.077 15.918) 21.268 0.728 ( 1.997 -0.564 1.933) 2.836 0.954 ( -0.885 2.253 -3.618) 4.353 1.204 ( -0.654 -3.605 -1.375) 3.913 1.223 ( 2.992 1.119 -1.038) 3.359 1.383 ( 0.803 4.124 -0.171) 4.204 1.477 ( 2.143 -2.888 -1.004) 3.733 1.574 ( 3.251 -2.203 -3.263) 5.106 1.613 ( 4.076 -3.569 -0.941) 5.498 1.713 ( -3.202 0.061 -0.131) 3.205 1.757 ( -1.139 -0.225 -0.200) 1.178 1.805 ( -2.530 -4.836 -0.987) 5.547 1.912 ( -2.524 -1.731 0.951) 3.205 1.976 ( 0.977 -1.985 2.033) 3.005 2.048 ( -0.183 0.023 0.187) 0.263 2.173 ( -0.854 -0.422 -2.724) 2.885 2.225 ( 2.554 1.258 1.606) 3.268 2.309 ( -1.326 -3.027 0.765) 3.392 2.363 ( 1.141 7.202 -5.072) 8.882 2.417 ( -2.280 1.908 2.647) 3.981 2.519 ( -1.673 3.656 -3.732) 5.486 2.722 ( -0.889 -0.699 3.261) 3.452 2.790 ( 1.688 -0.428 0.803) 1.918 2.820 ( -3.056 1.875 -2.210) 4.212 3.066 ( -4.448 1.264 -6.131) 7.679 3.102 ( -2.801 -0.488 -2.649) 3.886 3.292 ( 0.171 -0.288 -0.882) 0.943 3.325 ( 1.438 -0.161 0.210) 1.462 3.568 ( 1.666 -0.267 2.518) 3.031 3.670 ( -0.605 -0.934 1.281) 1.697 3.713 ( 4.965 -2.454 4.601) 7.200 3.823 ( 2.186 1.214 -0.419) 2.535 3.949 ( 0.540 -0.168 0.622) 0.840 4.019 ( 0.494 -0.117 0.432) 0.666 4.403 ( -0.338 0.128 1.413) 1.458 4.509 ( -0.301 0.128 -0.587) 0.672 4.653 ( 1.816 -0.601 1.252) 2.286 4.827 ( -0.403 0.424 -0.384) 0.700 5.088 ( 1.247 0.147 1.578) 2.017 5.478 ( -0.937 -0.098 -1.378) 1.669 5.803 ( 0.458 -0.004 0.821) 0.940 6.020 ( -0.552 -0.443 -0.790) 1.061 6.528 ( 0.188 0.135 0.164) 0.284 6.572 ( -0.281 0.159 -0.084) 0.333 6.747 ( 1.704 -0.209 1.759) 2.458 6.934 ( -0.458 -0.066 -0.636) 0.786 7.385 ( 0.312 -0.105 0.586) 0.672 7.463 ( 0.912 -1.156 1.572) 2.154 7.658 ( 0.207 -0.126 0.234) 0.337 7.712 ( -0.203 -0.101 -0.206) 0.306 7.904 ( -0.032 -0.061 0.034) 0.077 7.910 ( -0.027 -0.097 -0.044) 0.110 16.374 ( -0.189 0.442 1.040) 1.146 16.414 ( 4.514 -1.305 3.833) 6.064 17.120 ( -0.432 -1.319 0.851) 1.628 17.233 ( -0.115 -1.534 -0.707) 1.692 17.894 ( 0.500 0.390 1.113) 1.281 17.948 ( 0.719 0.151 -0.513) 0.896 18.996 ( -0.870 0.117 0.064) 0.880 19.031 ( -0.483 0.238 0.198) 0.574 19.170 ( 0.006 -0.532 -0.279) 0.601 19.269 ( -5.091 -1.692 -1.729) 5.636 19.651 ( 1.383 0.951 3.328) 3.727 20.098 ( 0.862 -1.011 -2.986) 3.268 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 7.427 0.000 11.015) 13.285 0.456 ( 6.167 0.000 8.872) 10.805 0.777 ( -0.114 -0.000 -4.061) 4.062 0.779 ( 0.072 0.000 -6.105) 6.106 1.042 ( 13.580 0.000 13.417) 19.090 1.153 ( 0.729 0.000 0.648) 0.975 1.251 ( -3.935 -0.000 1.399) 4.176 1.400 ( -4.746 -0.000 -1.245) 4.907 1.431 ( -1.078 -0.000 -5.121) 5.233 1.573 ( -0.491 -0.000 -4.696) 4.722 1.599 ( -4.099 -0.000 -4.372) 5.993 1.631 ( -0.100 -0.000 2.076) 2.079 1.784 ( 3.219 0.000 2.017) 3.799 1.806 ( -1.708 -0.000 -1.800) 2.481 1.911 ( -2.142 -0.000 0.230) 2.155 1.997 ( -1.886 -0.000 -6.647) 6.909 2.131 ( -4.731 -0.000 -1.987) 5.131 2.203 ( 5.521 0.000 8.522) 10.154 2.233 ( 8.014 0.000 5.320) 9.619 2.239 ( 2.396 0.000 -0.327) 2.418 2.381 ( 1.005 0.000 -0.505) 1.125 2.425 ( 0.083 0.000 3.311) 3.312 2.441 ( -1.149 -0.000 2.460) 2.715 2.512 ( -4.680 -0.000 -9.447) 10.542 2.821 ( -1.780 -0.000 3.615) 4.030 2.836 ( 0.708 0.000 -0.368) 0.798 2.860 ( 1.749 0.000 2.479) 3.034 2.991 ( 0.227 0.000 -4.593) 4.599 3.308 ( 0.595 0.000 -0.723) 0.937 3.322 ( -0.524 -0.000 -2.224) 2.285 3.667 ( 0.606 0.000 2.841) 2.905 3.702 ( -0.359 -0.000 1.920) 1.953 3.769 ( -0.847 -0.000 -0.886) 1.226 3.777 ( -2.562 -0.000 -3.650) 4.459 4.007 ( -0.099 -0.000 1.663) 1.666 4.018 ( -1.414 -0.000 -0.526) 1.508 4.443 ( 1.033 0.000 2.208) 2.438 4.495 ( 0.198 0.000 -0.593) 0.626 4.762 ( 2.630 0.000 2.274) 3.477 4.769 ( -2.746 -0.000 -3.016) 4.079 5.259 ( 5.815 0.000 6.978) 9.084 5.337 ( -5.650 -0.000 -6.628) 8.709 5.879 ( 2.779 0.000 3.606) 4.553 5.924 ( -3.079 -0.000 -3.694) 4.809 6.542 ( 0.436 0.000 0.832) 0.940 6.547 ( -0.873 -0.000 -0.590) 1.054 6.855 ( 2.498 0.000 2.324) 3.412 6.873 ( -2.265 -0.000 -2.893) 3.674 7.423 ( 0.871 0.000 1.758) 1.962 7.452 ( -1.984 -0.000 -1.320) 2.383 7.685 ( 0.980 0.000 0.857) 1.302 7.691 ( -0.753 -0.000 -0.905) 1.177 7.907 ( 0.092 0.000 0.086) 0.126 7.909 ( 0.026 0.000 -0.092) 0.096 16.385 ( -0.668 -0.000 1.447) 1.594 16.494 ( -1.200 -0.000 -2.557) 2.825 17.171 ( 1.143 0.000 1.920) 2.234 17.221 ( -0.314 -0.000 -1.582) 1.613 17.912 ( -1.062 -0.000 -0.153) 1.073 17.945 ( -0.213 -0.000 -0.574) 0.612 19.009 ( -0.077 -0.000 -0.177) 0.193 19.013 ( 1.535 0.000 0.910) 1.784 19.177 ( 0.814 0.000 -0.288) 0.863 19.215 ( 3.120 0.000 0.342) 3.139 19.781 ( 2.028 0.000 7.639) 7.903 19.960 ( -5.819 -0.000 -6.707) 8.879 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 6.420 -1.535 10.505) 12.407 0.576 ( 5.003 -3.825 2.952) 6.955 0.747 ( 0.921 -0.730 -6.602) 6.706 0.793 ( 1.181 -3.102 -3.995) 5.194 1.096 ( -3.935 0.946 -1.549) 4.333 1.167 ( 1.079 -0.117 -0.848) 1.377 1.253 ( 2.399 2.152 4.504) 5.539 1.311 ( -1.842 4.935 -5.316) 7.484 1.402 ( -1.155 -0.791 3.938) 4.180 1.521 ( -3.733 0.099 -4.453) 5.811 1.595 ( -0.954 -3.170 -5.340) 6.283 1.684 ( -1.481 -2.396 1.525) 3.203 1.769 ( -2.369 0.376 -0.657) 2.487 1.825 ( 0.457 -0.887 1.259) 1.607 1.839 ( -4.538 2.022 -0.722) 5.021 1.986 ( -4.043 -2.520 -5.241) 7.082 2.075 ( 0.569 0.431 -1.319) 1.500 2.245 ( 4.192 0.170 2.891) 5.095 2.267 ( 3.047 -0.325 0.414) 3.092 2.315 ( 3.408 6.203 -2.765) 7.598 2.404 ( 0.098 1.243 4.220) 4.401 2.414 ( 6.022 -0.193 9.174) 10.975 2.442 ( 1.661 0.662 -0.294) 1.812 2.491 ( -0.264 -1.987 0.203) 2.015 2.812 ( -3.040 -0.957 1.045) 3.354 2.872 ( 2.311 -0.287 1.576) 2.812 2.916 ( 2.174 -2.846 4.138) 5.473 2.990 ( 1.752 -1.598 -3.770) 4.454 3.308 ( -0.064 -0.204 -0.818) 0.846 3.310 ( -0.598 -0.449 -2.196) 2.320 3.673 ( -0.621 0.523 1.466) 1.676 3.687 ( -2.912 0.666 -1.544) 3.363 3.742 ( -0.200 0.719 0.552) 0.928 3.761 ( -0.926 0.215 -1.091) 1.447 3.990 ( -1.378 0.822 -0.038) 1.604 4.015 ( -0.707 -0.116 0.259) 0.762 4.464 ( 1.204 -0.150 1.973) 2.316 4.491 ( 0.212 0.294 -0.810) 0.888 4.727 ( -3.587 0.001 -3.707) 5.158 4.791 ( 2.195 0.020 1.907) 2.908 5.255 ( -5.899 0.076 -6.999) 9.154 5.338 ( 5.250 -0.069 6.284) 8.189 5.883 ( -2.596 0.178 -3.188) 4.116 5.920 ( 3.007 0.079 3.842) 4.880 6.539 ( -0.722 -0.093 -0.492) 0.878 6.551 ( 0.537 -0.044 0.982) 1.120 6.838 ( -2.559 0.037 -3.288) 4.167 6.882 ( 2.159 0.199 2.242) 3.119 7.426 ( -1.593 0.411 -1.186) 2.028 7.436 ( 0.747 0.214 1.557) 1.740 7.680 ( -0.768 0.139 -0.889) 1.183 7.696 ( 0.889 0.136 0.793) 1.199 7.907 ( 0.104 0.090 0.083) 0.161 7.909 ( 0.043 0.085 -0.086) 0.128 16.386 ( -1.003 -0.293 0.865) 1.356 16.465 ( -0.863 0.763 -1.783) 2.122 17.172 ( 0.848 1.873 1.513) 2.553 17.200 ( 0.150 1.356 -1.246) 1.848 17.901 ( -1.256 -0.106 0.140) 1.269 17.944 ( -0.380 -0.473 -0.764) 0.975 19.008 ( 0.670 0.412 0.229) 0.819 19.033 ( 1.831 -0.086 0.882) 2.034 19.186 ( 1.358 -0.054 -0.510) 1.452 19.243 ( 3.151 0.026 0.564) 3.201 19.832 ( 0.672 0.081 5.863) 5.902 19.876 ( -5.532 0.106 -5.502) 7.803 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -0.059 -0.128 1.862) 1.867 0.679 ( 1.862 -4.267 -1.648) 4.939 0.774 ( 3.209 -2.971 -1.953) 4.790 0.857 ( 3.396 -4.698 -3.508) 6.775 1.020 ( -6.046 2.281 -1.017) 6.542 1.125 ( -1.767 3.127 -1.564) 3.918 1.208 ( 1.971 3.284 -0.591) 3.875 1.276 ( -0.555 -2.707 -2.016) 3.421 1.410 ( -2.989 0.844 1.584) 3.486 1.506 ( 0.498 -1.959 -0.644) 2.122 1.591 ( -1.249 1.019 -2.657) 3.107 1.659 ( -9.603 0.533 -6.432) 11.570 1.689 ( -4.309 -1.061 -1.005) 4.550 1.829 ( -1.437 0.152 -0.353) 1.488 1.873 ( 1.575 -1.263 2.825) 3.472 1.971 ( 0.917 -0.784 0.454) 1.290 2.120 ( 2.730 -1.523 1.256) 3.369 2.206 ( 2.355 4.426 -5.037) 7.107 2.269 ( 4.345 2.611 0.645) 5.110 2.289 ( 0.446 1.524 -0.677) 1.726 2.376 ( -0.825 -0.322 -0.588) 1.063 2.378 ( -1.695 2.564 2.557) 3.998 2.532 ( 0.500 -2.510 1.181) 2.819 2.604 ( 12.063 -0.492 14.445) 18.826 2.806 ( -2.585 -0.195 1.660) 3.078 2.894 ( 2.136 0.314 0.134) 2.163 2.992 ( 1.650 -2.442 -0.067) 2.947 3.047 ( 2.334 -3.335 1.875) 4.482 3.299 ( -1.279 -0.462 -2.282) 2.656 3.312 ( -0.227 -0.714 -0.735) 1.050 3.630 ( -3.427 1.000 -2.963) 4.640 3.663 ( -1.000 0.637 0.485) 1.281 3.721 ( -0.813 1.509 -1.063) 2.017 3.759 ( 0.754 0.142 2.171) 2.302 3.967 ( -1.265 0.237 -0.971) 1.613 4.013 ( -0.512 -0.181 0.267) 0.605 4.474 ( 0.012 0.616 -0.736) 0.960 4.490 ( 1.227 -0.084 1.340) 1.819 4.676 ( -4.090 0.016 -4.189) 5.854 4.818 ( 1.867 -0.248 1.716) 2.548 5.179 ( -4.857 -0.025 -5.892) 7.636 5.403 ( 4.004 -0.017 4.779) 6.234 5.847 ( -1.965 0.281 -2.445) 3.149 5.959 ( 2.674 0.105 3.339) 4.279 6.535 ( -0.470 -0.192 -0.341) 0.611 6.562 ( 0.706 -0.040 1.078) 1.290 6.801 ( -2.536 0.023 -3.252) 4.124 6.905 ( 1.670 0.109 1.829) 2.479 7.403 ( -1.114 0.364 -0.992) 1.536 7.443 ( 0.612 0.292 1.103) 1.295 7.667 ( -0.686 0.184 -0.773) 1.050 7.702 ( 0.697 0.201 0.659) 0.980 7.906 ( 0.076 0.147 0.061) 0.176 7.907 ( 0.051 0.115 -0.060) 0.140 16.389 ( -0.902 -0.581 0.186) 1.089 16.443 ( -0.347 0.483 -1.135) 1.281 17.138 ( 0.061 2.718 0.099) 2.720 17.172 ( 0.832 1.976 0.142) 2.149 17.899 ( -0.986 -0.547 0.308) 1.169 17.946 ( -0.324 -0.575 -0.811) 1.046 19.009 ( 1.194 0.525 0.682) 1.472 19.050 ( 1.583 0.162 0.655) 1.721 19.189 ( 0.903 0.455 -0.910) 1.360 19.264 ( 1.993 0.425 0.767) 2.177 19.780 ( -5.276 0.422 -4.564) 6.989 19.891 ( 1.190 -0.775 4.526) 4.744 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -5.453 1.558 -3.236) 6.529 0.713 ( -1.334 -1.893 -5.786) 6.232 0.865 ( 1.040 -4.993 1.576) 5.338 0.903 ( -2.516 3.841 -1.173) 4.739 0.978 ( 3.591 -4.876 -1.684) 6.285 1.070 ( -0.535 1.709 1.620) 2.415 1.205 ( 2.611 0.690 1.561) 3.119 1.297 ( -2.994 -2.329 -2.334) 4.453 1.387 ( -0.908 -0.742 -2.338) 2.616 1.514 ( -0.051 2.552 -1.271) 2.852 1.545 ( -7.237 -2.265 1.314) 7.696 1.598 ( 0.070 2.336 1.213) 2.634 1.680 ( -0.671 -3.786 -3.596) 5.265 1.779 ( -1.509 2.807 -1.227) 3.415 1.903 ( -0.974 -0.991 1.787) 2.264 2.008 ( 4.602 0.902 -2.221) 5.189 2.074 ( 1.114 5.147 -1.169) 5.394 2.191 ( -0.818 4.158 -4.549) 6.217 2.240 ( 0.946 -2.668 -4.777) 5.553 2.272 ( 1.420 -0.671 3.551) 3.882 2.339 ( -2.305 1.979 6.465) 7.143 2.425 ( 1.822 -2.894 0.397) 3.442 2.582 ( 0.574 -1.596 1.862) 2.518 2.749 ( 6.785 0.504 7.416) 10.064 2.803 ( -0.081 -0.338 3.749) 3.766 2.895 ( 1.750 1.504 0.815) 2.447 3.036 ( 1.967 -1.632 -1.440) 2.933 3.124 ( 1.485 -1.779 4.105) 4.714 3.281 ( -2.315 -0.800 -3.530) 4.297 3.318 ( -0.586 -0.433 -0.221) 0.761 3.578 ( -2.220 0.721 -2.299) 3.277 3.647 ( -0.764 0.273 -0.301) 0.865 3.679 ( -0.561 1.803 -1.161) 2.216 3.781 ( 1.244 -0.478 2.352) 2.703 3.955 ( -0.442 -0.204 -1.007) 1.119 4.014 ( -0.644 -0.291 -0.088) 0.712 4.455 ( -0.180 0.992 -0.775) 1.272 4.507 ( 0.946 -0.064 0.994) 1.374 4.626 ( -3.456 -0.131 -3.571) 4.971 4.843 ( 1.229 -0.280 1.251) 1.776 5.125 ( -3.003 -0.058 -3.688) 4.757 5.448 ( 2.444 -0.050 2.903) 3.795 5.819 ( -1.213 0.300 -1.521) 1.969 5.990 ( 1.820 0.020 2.213) 2.865 6.534 ( -0.229 -0.171 -0.186) 0.341 6.573 ( 0.755 0.010 0.984) 1.240 6.768 ( -2.017 0.008 -2.502) 3.213 6.922 ( 1.017 0.012 1.146) 1.532 7.387 ( -0.646 0.223 -0.663) 0.952 7.447 ( 0.416 0.228 0.627) 0.786 7.656 ( -0.455 0.117 -0.527) 0.706 7.707 ( 0.428 0.157 0.428) 0.625 7.904 ( 0.028 0.138 0.040) 0.146 7.905 ( 0.039 0.077 -0.036) 0.094 16.394 ( -0.542 -0.572 -0.048) 0.790 16.430 ( -0.095 0.385 -0.711) 0.815 17.093 ( -0.189 2.190 -0.122) 2.201 17.149 ( 0.659 1.388 0.334) 1.573 17.906 ( -0.541 -0.633 0.402) 0.925 17.949 ( -0.159 -0.419 -0.737) 0.862 19.017 ( 1.231 0.312 1.138) 1.705 19.057 ( 0.871 0.490 0.342) 1.056 19.175 ( 0.224 0.903 -1.597) 1.848 19.266 ( 0.247 0.748 0.794) 1.119 19.727 ( -3.044 -0.180 -2.632) 4.027 19.935 ( 1.248 -1.145 2.630) 3.128 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -8.114 2.843 -1.350) 8.703 0.695 ( -0.981 -0.527 -3.492) 3.665 0.772 ( -3.962 7.083 0.703) 8.146 0.960 ( 1.101 -2.894 -1.226) 3.331 1.075 ( 3.056 -2.100 2.642) 4.553 1.113 ( 3.637 -5.273 -0.423) 6.419 1.183 ( 0.433 4.695 0.562) 4.748 1.316 ( -1.793 -3.299 1.191) 3.939 1.392 ( -0.028 -2.344 -4.847) 5.384 1.479 ( -0.356 2.057 -0.441) 2.134 1.508 ( -2.979 2.226 -0.092) 3.720 1.583 ( -1.392 -1.999 5.266) 5.802 1.702 ( 3.421 3.107 0.254) 4.629 1.817 ( 1.730 -7.675 -1.184) 7.956 1.898 ( -2.060 0.770 -0.684) 2.304 1.959 ( -1.137 4.947 -1.858) 5.406 1.992 ( 1.313 1.901 -3.985) 4.606 2.158 ( 2.876 0.295 -0.679) 2.970 2.217 ( -0.392 2.972 0.107) 2.999 2.277 ( -2.066 -0.086 -0.452) 2.117 2.400 ( 0.007 -4.398 4.152) 6.048 2.482 ( 1.060 -2.280 -0.557) 2.575 2.604 ( -0.353 0.419 2.421) 2.482 2.749 ( -0.911 0.621 -4.289) 4.429 2.838 ( 2.249 2.998 6.369) 7.390 2.892 ( -0.136 0.246 1.358) 1.387 3.067 ( 1.686 -1.097 -1.761) 2.674 3.169 ( 1.118 0.319 3.760) 3.935 3.260 ( -1.849 -1.223 -3.362) 4.027 3.315 ( -0.762 0.060 0.522) 0.926 3.552 ( -0.485 0.261 -0.633) 0.839 3.642 ( -0.069 -0.190 -0.136) 0.244 3.647 ( -0.137 0.789 -0.603) 1.002 3.812 ( 0.924 -0.797 1.081) 1.630 3.955 ( 0.375 -0.208 -0.750) 0.864 4.012 ( -0.532 -0.194 -0.102) 0.575 4.433 ( -0.170 1.015 -0.125) 1.037 4.515 ( 0.279 0.090 0.232) 0.374 4.601 ( -1.159 -0.606 -1.214) 1.784 4.855 ( 0.315 0.083 0.400) 0.516 5.097 ( -0.921 0.109 -1.123) 1.456 5.471 ( 0.753 -0.155 0.820) 1.124 5.804 ( -0.355 0.193 -0.437) 0.596 6.007 ( 0.569 -0.122 0.655) 0.876 6.534 ( -0.046 -0.036 -0.047) 0.075 6.581 ( 0.326 0.093 0.406) 0.529 6.747 ( -0.757 0.063 -0.870) 1.154 6.931 ( 0.291 -0.045 0.320) 0.435 7.379 ( -0.181 0.060 -0.187) 0.267 7.448 ( 0.121 0.118 0.246) 0.298 7.651 ( -0.122 -0.016 -0.172) 0.211 7.708 ( 0.117 0.040 0.122) 0.174 7.902 ( -0.014 0.072 0.029) 0.079 7.905 ( 0.016 -0.013 -0.026) 0.033 16.397 ( -0.233 -0.089 0.148) 0.289 16.419 ( 0.046 0.519 -0.355) 0.631 17.066 ( -0.285 0.696 0.181) 0.773 17.143 ( 0.259 -0.244 -0.039) 0.358 17.913 ( -0.209 -0.236 0.489) 0.582 17.951 ( 0.104 -0.154 -0.613) 0.641 19.023 ( 0.232 0.401 0.665) 0.811 19.053 ( 0.264 0.598 0.306) 0.722 19.154 ( 0.369 0.430 -1.689) 1.782 19.254 ( -1.050 0.686 0.990) 1.598 19.706 ( -0.731 0.233 -0.469) 0.899 19.978 ( 0.984 -2.026 0.458) 2.299 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -1.591 3.550 7.439) 8.395 0.603 ( -3.007 9.546 1.028) 10.061 0.700 ( 2.493 -0.278 0.572) 2.573 0.983 ( 1.691 3.235 -2.259) 4.293 1.039 ( -1.377 6.806 2.975) 7.554 1.130 ( -0.691 -1.252 1.200) 1.867 1.250 ( 3.969 -2.359 -0.878) 4.700 1.372 ( 0.765 -3.682 0.711) 3.827 1.403 ( -1.030 0.994 -5.880) 6.052 1.437 ( 3.004 -2.845 -0.612) 4.182 1.526 ( -1.381 -4.357 3.126) 5.537 1.636 ( 0.357 -1.541 2.611) 3.053 1.707 ( 1.021 0.342 3.456) 3.620 1.826 ( -0.147 3.990 -0.217) 3.999 1.889 ( 1.154 0.098 -0.351) 1.211 1.927 ( -0.536 -1.255 -3.934) 4.164 2.025 ( 2.146 -5.733 1.708) 6.355 2.138 ( -2.879 3.380 3.031) 5.377 2.182 ( 0.950 -0.115 -1.804) 2.042 2.270 ( 0.582 -0.634 -2.986) 3.108 2.458 ( -1.717 -0.910 -0.015) 1.944 2.508 ( 0.053 -0.895 -2.996) 3.127 2.593 ( -0.829 1.552 2.351) 2.936 2.700 ( -1.613 0.687 -3.009) 3.482 2.813 ( -1.382 2.573 2.228) 3.674 2.877 ( -1.523 0.619 -0.960) 1.903 3.072 ( -0.572 -0.502 -4.343) 4.410 3.145 ( -3.443 1.676 -1.259) 4.031 3.276 ( 1.849 -0.601 0.439) 1.993 3.318 ( 0.723 -0.087 1.637) 1.792 3.556 ( 1.235 -0.195 1.724) 2.130 3.642 ( 0.162 -0.301 0.793) 0.864 3.661 ( 1.112 -1.096 0.998) 1.853 3.827 ( -0.462 -0.670 -0.937) 1.241 3.957 ( 0.744 0.168 -0.381) 0.853 4.014 ( 0.109 -0.176 0.371) 0.425 4.418 ( -0.008 0.778 0.775) 1.098 4.512 ( -0.277 0.107 -0.384) 0.485 4.619 ( 1.676 -1.026 1.717) 2.610 4.848 ( -0.574 0.529 -0.611) 0.991 5.096 ( 1.301 0.270 1.522) 2.020 5.473 ( -0.984 -0.216 -1.315) 1.657 5.803 ( 0.499 0.046 0.694) 0.856 6.009 ( -0.839 -0.252 -1.054) 1.371 6.534 ( 0.103 0.105 0.112) 0.185 6.578 ( -0.419 0.154 -0.367) 0.578 6.747 ( 1.022 0.125 1.201) 1.582 6.931 ( -0.437 -0.077 -0.570) 0.722 7.380 ( 0.263 -0.093 0.394) 0.482 7.448 ( -0.164 -0.083 0.093) 0.206 7.653 ( 0.223 -0.133 0.224) 0.343 7.708 ( -0.189 -0.079 -0.214) 0.296 7.902 ( -0.024 -0.021 0.032) 0.045 7.906 ( -0.003 -0.098 -0.033) 0.103 16.394 ( -0.043 0.470 0.644) 0.798 16.412 ( 0.604 0.447 0.386) 0.845 17.068 ( -0.217 -0.928 0.622) 1.138 17.161 ( -0.099 -1.828 -0.574) 1.919 17.913 ( -0.128 0.389 0.600) 0.727 17.952 ( 0.492 -0.007 -0.406) 0.638 19.011 ( -0.719 0.694 -0.267) 1.035 19.044 ( -0.383 0.499 -0.052) 0.632 19.157 ( 1.604 -0.440 -0.756) 1.827 19.238 ( -2.107 0.276 0.893) 2.305 19.698 ( 0.886 1.132 1.739) 2.256 20.021 ( 0.024 -2.757 -1.797) 3.291 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 3.843 5.117 9.805) 11.709 0.443 ( 4.506 8.615 6.065) 11.459 0.743 ( 4.387 -0.098 2.619) 5.110 0.829 ( 1.703 10.787 5.895) 12.410 0.988 ( -0.130 4.453 -0.585) 4.493 1.136 ( -2.097 -2.035 -0.769) 3.022 1.247 ( -0.141 1.183 -1.612) 2.004 1.392 ( 0.186 -2.821 -5.463) 6.151 1.449 ( -1.022 -2.890 1.093) 3.254 1.538 ( 6.098 -4.090 -0.670) 7.373 1.598 ( 3.682 -0.909 0.608) 3.840 1.675 ( -5.657 -1.311 1.100) 5.910 1.735 ( 2.628 -2.800 6.032) 7.151 1.778 ( 0.424 1.370 1.354) 1.972 1.889 ( -2.230 1.646 -3.123) 4.175 1.964 ( 6.051 -3.152 3.801) 7.810 2.047 ( -3.807 1.388 1.267) 4.245 2.160 ( 1.779 0.647 -3.982) 4.409 2.202 ( -0.310 -7.220 1.261) 7.336 2.268 ( 0.611 0.817 -0.938) 1.386 2.421 ( -3.766 1.178 -0.138) 3.948 2.444 ( -1.969 4.572 -7.057) 8.636 2.553 ( -0.616 3.240 -0.714) 3.375 2.691 ( -3.921 -1.474 -0.963) 4.299 2.762 ( -3.894 -1.239 -4.292) 5.926 2.853 ( 1.414 2.664 3.064) 4.300 3.021 ( -3.742 1.849 -6.112) 7.401 3.076 ( -2.738 1.535 -2.746) 4.170 3.294 ( 1.316 0.004 0.226) 1.335 3.337 ( 1.177 -0.052 0.408) 1.247 3.593 ( 2.313 -0.616 3.519) 4.256 3.662 ( 0.258 -0.889 1.876) 2.092 3.712 ( 2.135 -2.393 1.973) 3.765 3.823 ( -1.284 -0.714 -1.804) 2.327 3.957 ( 0.593 0.257 0.609) 0.888 4.022 ( 0.393 -0.248 0.416) 0.624 4.416 ( 0.347 0.394 1.684) 1.764 4.505 ( -0.427 0.094 -0.735) 0.855 4.670 ( 3.210 -0.984 3.215) 4.649 4.826 ( -1.165 0.556 -1.438) 1.932 5.125 ( 3.637 0.230 4.153) 5.525 5.450 ( -2.695 -0.203 -3.353) 4.307 5.816 ( 1.316 -0.035 1.801) 2.230 5.993 ( -2.089 -0.378 -2.502) 3.281 6.534 ( 0.245 0.149 0.327) 0.434 6.568 ( -0.774 0.134 -0.610) 0.995 6.771 ( 2.565 -0.180 2.727) 3.749 6.921 ( -1.130 -0.082 -1.455) 1.844 7.390 ( 0.636 -0.191 1.010) 1.209 7.452 ( -0.404 -0.688 0.157) 0.813 7.661 ( 0.526 -0.170 0.571) 0.795 7.706 ( -0.446 -0.136 -0.527) 0.704 7.903 ( 0.001 -0.081 0.047) 0.094 7.907 ( -0.005 -0.130 -0.055) 0.142 16.388 ( -0.107 0.620 1.037) 1.213 16.430 ( 2.018 -1.077 1.734) 2.870 17.097 ( 0.170 -1.784 1.183) 2.147 17.192 ( -0.330 -2.335 -1.080) 2.594 17.908 ( 0.055 0.385 0.893) 0.974 17.954 ( 0.676 0.139 -0.318) 0.760 18.996 ( -0.202 0.320 -0.079) 0.386 19.031 ( -0.795 0.341 -0.505) 1.001 19.175 ( 1.997 -0.003 -0.384) 2.033 19.219 ( -2.744 -0.038 -0.156) 2.748 19.703 ( 1.885 1.186 4.389) 4.921 20.045 ( -1.886 -2.310 -4.176) 5.131 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 4.846 0.000 -0.405) 4.863 0.607 ( 4.923 0.000 8.547) 9.863 0.723 ( 3.492 0.000 -6.370) 7.265 0.742 ( -0.310 -0.000 -2.301) 2.321 1.065 ( -4.297 -0.000 -0.759) 4.364 1.158 ( 1.326 0.000 -4.502) 4.693 1.269 ( -2.867 -0.000 -1.245) 3.126 1.340 ( -1.529 -0.000 -4.021) 4.302 1.420 ( -1.160 -0.000 2.589) 2.838 1.449 ( -7.053 -0.000 -5.713) 9.076 1.534 ( 3.762 0.000 -0.427) 3.786 1.681 ( 1.746 0.000 2.623) 3.151 1.693 ( -9.534 -0.000 -7.454) 12.102 1.810 ( -3.074 -0.000 2.363) 3.877 1.888 ( 0.013 0.000 3.444) 3.444 1.901 ( -0.017 -0.000 -1.497) 1.497 2.072 ( 1.255 0.000 -1.451) 1.919 2.269 ( 3.317 0.000 -0.576) 3.366 2.285 ( 1.643 0.000 -0.510) 1.721 2.387 ( 1.687 0.000 -2.358) 2.900 2.434 ( -0.669 -0.000 1.855) 1.972 2.456 ( 0.547 0.000 2.718) 2.773 2.461 ( 0.773 0.000 -0.865) 1.160 2.593 ( 13.387 0.000 16.192) 21.009 2.759 ( -3.199 -0.000 -1.722) 3.633 2.917 ( 1.981 0.000 2.865) 3.484 2.931 ( 2.924 0.000 5.836) 6.528 2.969 ( 2.205 0.000 -3.747) 4.348 3.293 ( -0.035 -0.000 -1.869) 1.870 3.296 ( -1.078 -0.000 -1.484) 1.834 3.649 ( -3.976 -0.000 -3.273) 5.150 3.676 ( -1.445 -0.000 0.823) 1.663 3.750 ( -0.300 -0.000 -1.010) 1.053 3.757 ( 0.111 0.000 1.596) 1.600 3.979 ( -2.015 -0.000 -1.179) 2.335 4.009 ( -1.051 -0.000 0.530) 1.177 4.481 ( 1.191 0.000 1.596) 1.992 4.492 ( 0.453 0.000 -0.931) 1.035 4.678 ( -3.979 -0.000 -3.793) 5.497 4.813 ( 1.615 0.000 1.259) 2.048 5.179 ( -5.050 -0.000 -6.102) 7.921 5.402 ( 4.095 0.000 4.929) 6.408 5.852 ( -1.952 -0.000 -2.465) 3.144 5.961 ( 2.583 0.000 3.466) 4.322 6.530 ( -0.597 -0.000 -0.390) 0.713 6.561 ( 0.666 0.000 1.126) 1.309 6.802 ( -2.532 -0.000 -3.301) 4.160 6.908 ( 1.566 0.000 1.677) 2.294 7.412 ( -1.397 -0.000 -1.124) 1.793 7.449 ( 0.455 0.000 1.241) 1.322 7.671 ( -0.698 -0.000 -0.768) 1.038 7.707 ( 0.738 0.000 0.619) 0.963 7.909 ( 0.115 0.000 0.080) 0.141 7.909 ( 0.058 0.000 -0.081) 0.100 16.377 ( -1.374 -0.000 0.398) 1.430 16.453 ( -0.904 -0.000 -1.951) 2.150 17.205 ( 0.287 0.000 -1.352) 1.382 17.205 ( 0.861 0.000 1.515) 1.742 17.889 ( -1.475 -0.000 0.106) 1.479 17.932 ( -0.387 -0.000 -0.790) 0.880 19.024 ( 1.597 0.000 0.659) 1.728 19.051 ( 1.713 0.000 0.798) 1.890 19.199 ( 2.121 0.000 -0.225) 2.132 19.272 ( 3.035 0.000 0.712) 3.118 19.792 ( -6.464 -0.000 -6.194) 8.953 19.874 ( 0.437 0.000 6.190) 6.205 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.516 1.203 -1.447) 1.951 0.643 ( 2.391 -1.166 -2.093) 3.384 0.753 ( 1.753 -2.243 -3.000) 4.136 0.791 ( 4.803 -3.255 2.426) 6.289 1.020 ( -3.443 1.768 0.241) 3.878 1.141 ( 0.249 0.554 -4.921) 4.958 1.221 ( -3.032 0.746 -1.747) 3.578 1.284 ( 1.539 3.086 -1.029) 3.599 1.389 ( -5.789 -1.225 -4.550) 7.464 1.422 ( -0.880 -2.294 0.918) 2.623 1.562 ( -6.230 0.675 -3.315) 7.089 1.597 ( 0.731 -0.027 -1.958) 2.090 1.701 ( 0.697 0.819 3.702) 3.855 1.812 ( -1.989 -0.904 1.382) 2.585 1.880 ( 0.116 0.156 1.013) 1.031 1.948 ( -0.906 -2.757 3.313) 4.404 2.097 ( 3.591 -1.666 -1.156) 4.124 2.275 ( -1.685 1.079 -2.431) 3.149 2.295 ( 3.037 1.178 -3.021) 4.443 2.345 ( 2.522 2.121 -0.131) 3.298 2.407 ( 0.529 4.467 -0.869) 4.582 2.429 ( -1.137 2.066 3.389) 4.129 2.504 ( 0.978 -2.249 1.496) 2.873 2.747 ( -2.469 -1.787 -1.480) 3.388 2.762 ( 9.580 -0.231 11.098) 14.663 2.933 ( 1.554 0.428 0.381) 1.656 2.982 ( 2.409 -0.844 1.659) 3.044 3.020 ( 2.982 -3.196 3.983) 5.914 3.271 ( -2.179 0.106 -2.538) 3.347 3.296 ( 0.333 -0.652 -0.694) 1.008 3.602 ( -2.859 0.431 -2.742) 3.985 3.662 ( -1.563 0.368 0.028) 1.606 3.735 ( -0.135 1.013 -1.043) 1.460 3.766 ( -0.305 -0.319 1.283) 1.357 3.956 ( -1.359 0.263 -1.004) 1.710 4.003 ( -1.114 -0.255 -0.034) 1.144 4.484 ( 0.458 0.659 -0.761) 1.106 4.501 ( 0.986 -0.302 0.846) 1.334 4.630 ( -3.377 0.167 -2.944) 4.483 4.831 ( 1.157 -0.257 0.869) 1.469 5.121 ( -3.128 -0.089 -3.900) 5.001 5.448 ( 2.517 0.042 3.064) 3.965 5.828 ( -1.184 0.169 -1.595) 1.994 5.992 ( 1.642 0.071 2.298) 2.825 6.526 ( -0.373 -0.174 -0.240) 0.477 6.572 ( 0.668 -0.049 0.954) 1.166 6.768 ( -1.928 0.024 -2.571) 3.213 6.924 ( 0.974 0.074 1.090) 1.464 7.396 ( -0.869 0.194 -0.780) 1.184 7.455 ( 0.218 0.179 0.662) 0.720 7.662 ( -0.500 0.130 -0.522) 0.735 7.713 ( 0.480 0.148 0.383) 0.632 7.909 ( 0.064 0.087 -0.056) 0.122 7.909 ( 0.089 0.108 0.059) 0.151 16.372 ( -1.074 -0.462 -0.018) 1.169 16.438 ( -0.348 0.129 -1.414) 1.462 17.182 ( 0.381 2.136 -0.493) 2.225 17.208 ( 0.627 1.172 0.607) 1.462 17.883 ( -1.156 -0.446 0.323) 1.280 17.930 ( -0.224 -0.473 -0.778) 0.938 19.037 ( 1.954 0.612 0.855) 2.220 19.065 ( 1.190 0.045 0.255) 1.218 19.210 ( 1.881 0.720 -0.074) 2.016 19.291 ( 1.680 0.522 0.689) 1.890 19.719 ( -4.701 -0.098 -4.394) 6.436 19.904 ( -0.464 -0.605 4.110) 4.180 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.992 3.431 -0.891) 3.681 0.664 ( 0.755 -0.828 -1.759) 2.086 0.817 ( 1.465 -3.092 0.838) 3.523 0.893 ( 3.312 -5.492 -2.040) 6.730 0.964 ( -0.978 2.715 1.546) 3.274 1.107 ( -0.222 1.805 2.187) 2.845 1.192 ( -3.307 -1.514 -2.923) 4.666 1.278 ( 4.715 0.837 -0.167) 4.791 1.345 ( -2.568 0.005 -2.455) 3.553 1.479 ( -4.346 -0.013 3.012) 5.288 1.519 ( 1.758 -6.012 -2.066) 6.596 1.582 ( -0.339 1.966 0.261) 2.012 1.696 ( -0.283 2.983 2.382) 3.828 1.793 ( -0.973 0.919 -1.563) 2.058 1.883 ( -2.312 -0.931 1.586) 2.954 2.020 ( 2.581 -2.587 0.708) 3.722 2.153 ( 0.858 -2.098 -1.353) 2.640 2.182 ( -1.133 4.737 -3.914) 6.248 2.241 ( 2.080 3.905 -3.482) 5.630 2.333 ( 1.664 3.515 1.150) 4.055 2.388 ( -2.825 2.543 4.484) 5.879 2.390 ( 1.664 -2.515 -0.127) 3.018 2.560 ( 0.482 -2.321 1.679) 2.905 2.741 ( -2.137 -1.192 -3.515) 4.284 2.858 ( 3.576 -0.077 4.615) 5.838 2.936 ( 0.563 0.601 0.473) 0.949 3.018 ( 1.186 -1.228 -0.594) 1.807 3.120 ( 1.730 -2.970 3.972) 5.253 3.239 ( -1.507 0.013 -1.450) 2.091 3.309 ( 0.368 -0.438 0.539) 0.786 3.568 ( -0.776 0.558 -1.103) 1.460 3.645 ( -0.878 0.334 -0.197) 0.960 3.703 ( -0.069 1.816 -1.233) 2.196 3.778 ( -0.688 -0.940 0.487) 1.263 3.944 ( -0.214 -0.174 -0.673) 0.728 4.001 ( -0.773 -0.418 -0.051) 0.881 4.469 ( 0.383 0.983 -0.699) 1.265 4.514 ( 0.444 -0.178 0.275) 0.551 4.597 ( -1.374 0.246 -0.703) 1.563 4.847 ( 0.497 -0.419 0.365) 0.746 5.096 ( -0.797 -0.158 -1.128) 1.390 5.470 ( 0.707 0.068 0.960) 1.194 5.813 ( -0.337 0.274 -0.614) 0.752 6.007 ( 0.433 0.052 0.717) 0.840 6.528 ( -0.143 -0.279 -0.085) 0.325 6.580 ( 0.188 -0.094 0.194) 0.286 6.749 ( -0.548 0.046 -0.798) 0.970 6.932 ( 0.308 0.064 0.372) 0.487 7.385 ( -0.298 0.213 -0.314) 0.483 7.454 ( 0.010 0.209 0.110) 0.236 7.654 ( -0.169 0.164 -0.177) 0.295 7.714 ( 0.170 0.215 0.098) 0.291 7.907 ( 0.051 0.132 -0.022) 0.143 7.908 ( 0.042 0.168 0.027) 0.175 16.377 ( -0.457 -0.824 0.051) 0.944 16.430 ( 0.107 0.116 -0.841) 0.855 17.138 ( 0.233 2.912 -0.089) 2.923 17.185 ( 0.320 2.002 0.141) 2.032 17.890 ( -0.672 -0.860 0.501) 1.201 17.936 ( 0.008 -0.629 -0.637) 0.896 19.042 ( 1.387 0.790 0.716) 1.749 19.069 ( 0.422 0.301 -0.262) 0.581 19.200 ( 1.184 1.679 -0.513) 2.117 19.288 ( 0.227 1.043 0.742) 1.300 19.686 ( -1.810 -0.859 -1.661) 2.602 19.927 ( -0.898 -1.130 1.533) 2.106 ======================= Grid point 90 (40/93) ======================= q-point: ( 0.62 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.503 4.483 3.907) 5.968 0.683 ( 2.568 -0.466 0.727) 2.709 0.865 ( -0.279 -0.732 3.781) 3.861 0.901 ( -2.521 2.381 -1.722) 3.871 1.033 ( 4.859 -6.248 -1.525) 8.061 1.113 ( 2.684 0.915 4.949) 5.704 1.199 ( -2.952 -2.726 -0.412) 4.039 1.294 ( 3.196 0.515 2.691) 4.210 1.334 ( 0.394 -0.674 -3.209) 3.303 1.477 ( -2.783 -1.574 0.870) 3.313 1.533 ( -1.302 2.657 1.058) 3.143 1.624 ( -0.433 4.061 1.248) 4.271 1.672 ( 2.221 -8.482 0.319) 8.774 1.767 ( 1.303 1.635 -0.049) 2.091 1.886 ( -2.513 -0.532 0.398) 2.600 2.024 ( 0.794 3.633 -4.522) 5.855 2.056 ( 2.456 5.372 -2.792) 6.533 2.196 ( 0.657 -2.017 0.482) 2.176 2.212 ( 2.823 0.404 -2.982) 4.126 2.292 ( -2.406 4.045 2.202) 5.196 2.370 ( -1.256 -1.141 5.247) 5.514 2.444 ( 0.507 -2.494 -0.407) 2.577 2.595 ( -1.525 -1.393 0.621) 2.157 2.718 ( -1.226 -0.015 -4.973) 5.122 2.860 ( -5.097 -0.285 -4.216) 6.621 2.926 ( 1.176 1.868 3.089) 3.797 3.034 ( -0.267 -1.576 -3.822) 4.142 3.154 ( -2.886 -1.288 -1.276) 3.408 3.262 ( 3.672 -0.208 4.310) 5.666 3.319 ( 0.222 0.050 1.583) 1.599 3.561 ( 0.954 0.389 0.865) 1.345 3.639 ( 0.063 -0.123 0.151) 0.205 3.667 ( 0.269 1.635 -0.803) 1.841 3.788 ( -1.424 -1.341 -1.271) 2.332 3.950 ( 0.701 -0.441 -0.111) 0.835 4.005 ( -0.289 -0.409 0.228) 0.551 4.452 ( 0.383 1.076 -0.150) 1.152 4.516 ( -0.334 0.017 -0.510) 0.610 4.599 ( 1.510 -0.075 2.309) 2.760 4.853 ( -0.398 -0.213 -0.466) 0.649 5.101 ( 1.442 -0.009 1.563) 2.127 5.467 ( -1.091 -0.035 -1.192) 1.616 5.808 ( 0.556 0.260 0.473) 0.775 6.004 ( -0.904 -0.019 -0.982) 1.335 6.532 ( 0.037 -0.228 0.057) 0.239 6.579 ( -0.551 -0.108 -0.726) 0.918 6.752 ( 1.144 0.116 1.324) 1.753 6.930 ( -0.411 0.036 -0.454) 0.614 7.381 ( 0.207 0.131 0.206) 0.320 7.450 ( -0.274 0.141 -0.306) 0.434 7.652 ( 0.205 0.096 0.223) 0.318 7.710 ( -0.155 0.175 -0.227) 0.325 7.905 ( -0.005 0.160 0.022) 0.161 7.906 ( 0.033 0.098 -0.018) 0.105 16.390 ( -0.042 -0.700 0.337) 0.778 16.426 ( 0.316 0.263 -0.362) 0.548 17.093 ( 0.114 2.354 0.315) 2.378 17.154 ( -0.067 1.469 -0.342) 1.510 17.904 ( -0.321 -0.850 0.583) 1.080 17.944 ( 0.282 -0.477 -0.446) 0.711 19.035 ( -0.314 0.765 -0.197) 0.850 19.062 ( 0.026 0.492 -0.366) 0.614 19.176 ( 1.312 1.613 -0.246) 2.094 19.270 ( -0.514 1.288 0.785) 1.593 19.697 ( 0.586 -1.028 0.759) 1.406 19.944 ( -1.262 -1.697 -0.841) 2.276 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 5.475 3.088 8.929) 10.919 0.728 ( 4.984 0.019 2.437) 5.548 0.767 ( 0.414 8.281 1.982) 8.525 0.958 ( 1.487 -4.019 0.844) 4.368 1.090 ( -3.566 -0.272 -2.854) 4.575 1.126 ( -0.798 1.086 2.148) 2.536 1.232 ( 0.756 -2.681 0.642) 2.859 1.329 ( -1.577 -1.497 -4.461) 4.963 1.384 ( 6.530 -0.824 4.708) 8.092 1.448 ( -0.996 0.592 0.072) 1.161 1.493 ( -0.724 -0.155 2.301) 2.417 1.621 ( -0.065 -0.908 3.811) 3.918 1.755 ( 0.747 0.488 1.970) 2.162 1.826 ( -0.517 -5.631 -0.691) 5.697 1.857 ( -0.055 1.093 -2.101) 2.369 1.961 ( 5.048 2.317 2.113) 5.943 2.012 ( 4.014 1.524 -3.644) 5.632 2.182 ( -5.340 3.945 -0.082) 6.639 2.213 ( 2.666 2.400 -0.900) 3.699 2.243 ( 0.632 -1.653 1.462) 2.296 2.415 ( -1.862 -2.099 1.487) 3.176 2.475 ( -0.515 -1.327 -1.695) 2.213 2.588 ( -3.360 -0.597 -2.207) 4.064 2.677 ( -1.460 0.447 -3.974) 4.258 2.760 ( -9.549 0.304 -8.247) 12.621 2.927 ( 1.916 1.748 4.009) 4.774 3.033 ( 0.156 -0.773 -4.428) 4.498 3.131 ( -3.060 0.585 -0.893) 3.240 3.304 ( 2.278 0.465 2.125) 3.149 3.332 ( 0.868 -0.129 2.009) 2.193 3.578 ( 1.888 -0.081 2.421) 3.071 3.647 ( 0.329 0.007 0.363) 0.491 3.658 ( 1.132 -0.482 0.852) 1.497 3.786 ( -2.317 -1.315 -2.738) 3.820 3.964 ( 0.891 -0.153 0.394) 0.986 4.012 ( 0.037 -0.398 0.176) 0.437 4.439 ( 0.555 0.930 0.722) 1.301 4.506 ( -0.818 0.003 -0.991) 1.285 4.642 ( 3.520 -0.483 4.209) 5.508 4.842 ( -1.326 0.211 -1.524) 2.031 5.133 ( 3.516 0.179 4.002) 5.330 5.443 ( -2.780 -0.164 -3.258) 4.286 5.818 ( 1.408 0.154 1.595) 2.133 5.984 ( -2.093 -0.131 -2.471) 3.241 6.536 ( 0.178 -0.083 0.215) 0.291 6.570 ( -0.855 -0.057 -0.967) 1.292 6.773 ( 2.290 0.161 2.641) 3.499 6.919 ( -1.117 0.002 -1.323) 1.732 7.386 ( 0.606 -0.019 0.731) 0.950 7.443 ( -0.576 -0.022 -0.558) 0.802 7.657 ( 0.514 -0.024 0.581) 0.776 7.703 ( -0.439 0.052 -0.541) 0.698 7.902 ( -0.019 0.077 0.027) 0.084 7.905 ( 0.017 0.009 -0.026) 0.032 16.401 ( 0.116 -0.179 0.603) 0.640 16.423 ( 0.497 0.250 0.120) 0.570 17.070 ( 0.158 0.753 0.766) 1.085 17.137 ( -0.350 -0.157 -0.826) 0.911 17.915 ( -0.279 -0.316 0.578) 0.716 17.952 ( 0.581 -0.266 -0.257) 0.689 19.014 ( -1.012 0.652 -0.554) 1.325 19.046 ( -0.541 0.645 -0.958) 1.276 19.173 ( 2.176 0.501 0.849) 2.389 19.245 ( -1.066 1.288 0.349) 1.708 19.728 ( 1.937 -0.179 2.674) 3.307 19.957 ( -2.013 -2.343 -2.814) 4.179 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 4.893 3.820 7.159) 9.475 0.654 ( 5.820 7.820 5.181) 11.040 0.781 ( 4.473 -0.014 -0.158) 4.476 0.942 ( -0.549 5.169 -6.922) 8.657 1.071 ( 0.748 -1.103 4.603) 4.792 1.117 ( -1.023 0.813 3.500) 3.736 1.242 ( -4.452 0.544 -0.845) 4.564 1.299 ( -2.547 -1.414 -6.638) 7.249 1.409 ( 0.163 -0.789 1.896) 2.060 1.492 ( 2.055 -4.152 -1.813) 4.975 1.612 ( 0.037 -4.286 3.893) 5.790 1.642 ( 3.551 0.143 6.800) 7.672 1.771 ( -0.484 -0.210 4.792) 4.821 1.812 ( 2.230 1.813 0.709) 2.960 1.887 ( 1.522 -0.946 -2.709) 3.248 2.008 ( 6.260 0.398 1.519) 6.454 2.053 ( -2.821 1.401 0.976) 3.297 2.091 ( 0.740 -4.060 0.507) 4.158 2.182 ( 1.520 2.213 -3.332) 4.279 2.273 ( 0.099 -0.531 0.880) 1.033 2.402 ( -3.999 0.810 -0.938) 4.187 2.442 ( -2.524 1.439 -5.641) 6.345 2.550 ( -4.343 -1.477 -6.889) 8.276 2.618 ( -4.462 1.871 -6.227) 7.886 2.704 ( -2.108 -2.151 3.412) 4.551 2.927 ( 1.261 1.923 2.786) 3.612 3.015 ( 1.059 1.547 -3.123) 3.643 3.078 ( -2.567 2.055 -1.421) 3.582 3.312 ( 1.099 0.599 0.773) 1.472 3.344 ( 0.345 0.156 0.133) 0.401 3.614 ( 1.865 -0.694 2.929) 3.541 3.661 ( 0.467 -0.729 1.373) 1.623 3.694 ( 0.951 -1.784 1.008) 2.259 3.774 ( -2.653 -1.411 -2.783) 4.096 3.971 ( 0.549 0.262 0.932) 1.113 4.018 ( -0.036 -0.363 -0.319) 0.485 4.438 ( 0.865 0.594 1.628) 1.937 4.496 ( -0.759 -0.160 -1.085) 1.333 4.703 ( 3.772 -0.585 4.140) 5.631 4.812 ( -2.105 0.450 -2.510) 3.307 5.189 ( 5.181 0.170 5.917) 7.866 5.397 ( -4.323 -0.211 -5.118) 6.703 5.841 ( 2.181 0.027 2.652) 3.434 5.953 ( -2.811 -0.252 -3.369) 4.395 6.540 ( 0.303 0.041 0.427) 0.525 6.559 ( -0.807 0.026 -0.760) 1.109 6.806 ( 2.799 0.022 3.107) 4.182 6.900 ( -1.747 -0.032 -2.157) 2.776 7.398 ( 0.865 -0.186 1.200) 1.490 7.437 ( -0.858 -0.343 -0.673) 1.144 7.667 ( 0.720 -0.139 0.817) 1.098 7.696 ( -0.629 -0.079 -0.779) 1.004 7.902 ( 0.009 -0.037 0.045) 0.059 7.905 ( 0.013 -0.079 -0.048) 0.093 16.401 ( -0.088 0.461 0.733) 0.870 16.432 ( 0.810 -0.561 0.508) 1.109 17.080 ( 0.430 -1.051 1.277) 1.709 17.146 ( -0.398 -1.758 -1.221) 2.177 17.916 ( -0.400 0.198 0.609) 0.755 17.958 ( 0.579 -0.024 -0.284) 0.645 18.998 ( -0.452 0.203 -0.177) 0.526 19.028 ( -0.354 0.450 -0.867) 1.039 19.194 ( 2.482 0.021 0.737) 2.589 19.215 ( -1.184 1.044 -0.181) 1.589 19.759 ( 2.425 0.618 4.588) 5.226 19.960 ( -3.364 -2.395 -4.573) 6.162 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.612 0.000 -3.522) 3.574 0.657 ( 3.113 0.000 2.123) 3.767 0.714 ( 1.880 0.000 -4.146) 4.552 0.835 ( 3.741 0.000 3.005) 4.798 1.008 ( -3.072 -0.000 -0.931) 3.210 1.111 ( 2.105 0.000 -9.038) 9.280 1.243 ( -0.832 -0.000 5.899) 5.958 1.265 ( -2.914 -0.000 -3.618) 4.646 1.329 ( -2.923 -0.000 2.195) 3.655 1.428 ( 3.167 0.000 0.625) 3.228 1.558 ( -2.808 -0.000 0.566) 2.864 1.567 ( 1.309 0.000 -2.411) 2.743 1.741 ( 1.236 0.000 4.251) 4.427 1.791 ( -2.747 -0.000 3.156) 4.184 1.871 ( -3.356 -0.000 -0.021) 3.356 1.933 ( 0.039 0.000 2.854) 2.854 2.113 ( 4.764 0.000 -1.424) 4.973 2.254 ( -3.074 -0.000 -2.200) 3.780 2.306 ( 3.133 0.000 -2.967) 4.315 2.381 ( 0.838 0.000 -2.328) 2.474 2.442 ( -0.912 -0.000 -0.355) 0.978 2.472 ( -0.647 -0.000 0.736) 0.980 2.481 ( 1.485 0.000 1.102) 1.850 2.699 ( -1.991 -0.000 -1.084) 2.267 2.856 ( 3.552 0.000 3.987) 5.339 2.929 ( 1.163 0.000 -4.309) 4.463 3.010 ( 0.195 0.000 3.809) 3.814 3.040 ( 2.978 0.000 4.542) 5.431 3.243 ( -1.811 -0.000 -0.537) 1.889 3.297 ( 1.417 0.000 0.541) 1.517 3.579 ( -0.936 -0.000 -1.343) 1.637 3.653 ( -1.308 -0.000 -0.158) 1.317 3.738 ( 0.177 0.000 -1.320) 1.332 3.760 ( -1.167 -0.000 0.015) 1.167 3.945 ( -0.864 -0.000 -0.463) 0.980 3.991 ( -0.951 -0.000 -0.272) 0.989 4.491 ( 0.674 0.000 -1.009) 1.214 4.506 ( 0.421 0.000 0.455) 0.620 4.603 ( -1.380 -0.000 -0.482) 1.461 4.838 ( 0.531 0.000 0.265) 0.593 5.092 ( -0.844 -0.000 -1.171) 1.444 5.472 ( 0.750 0.000 1.049) 1.290 5.818 ( -0.326 -0.000 -0.678) 0.753 6.008 ( 0.326 0.000 0.747) 0.815 6.522 ( -0.198 -0.000 -0.117) 0.230 6.578 ( 0.137 0.000 0.071) 0.154 6.750 ( -0.491 -0.000 -0.783) 0.925 6.933 ( 0.286 0.000 0.365) 0.463 7.389 ( -0.387 -0.000 -0.394) 0.552 7.459 ( -0.104 -0.000 0.073) 0.127 7.658 ( -0.207 -0.000 -0.186) 0.279 7.718 ( 0.200 0.000 0.078) 0.214 7.910 ( 0.070 0.000 -0.038) 0.079 7.911 ( 0.057 0.000 0.042) 0.071 16.360 ( -0.690 -0.000 -0.014) 0.690 16.431 ( 0.060 0.000 -1.195) 1.196 17.203 ( 0.729 0.000 -0.678) 0.996 17.224 ( 0.051 0.000 0.653) 0.655 17.872 ( -0.935 -0.000 0.497) 1.059 17.922 ( 0.042 0.000 -0.661) 0.662 19.062 ( 1.702 0.000 0.535) 1.785 19.074 ( 0.714 0.000 -0.253) 0.758 19.233 ( 1.735 0.000 0.572) 1.827 19.309 ( 0.618 0.000 0.435) 0.756 19.671 ( -2.199 -0.000 -2.607) 3.411 19.905 ( -1.967 -0.000 2.290) 3.019 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 0.831 -1.881) 2.056 0.687 ( 1.890 0.605 2.835) 3.461 0.763 ( 2.254 -4.139 -2.744) 5.453 0.845 ( -0.181 -0.332 0.349) 0.515 0.991 ( -0.539 -0.144 1.630) 1.723 1.109 ( 5.566 -0.944 -6.545) 8.644 1.224 ( 0.345 3.979 8.910) 9.764 1.274 ( -0.445 -2.324 -2.549) 3.478 1.348 ( 0.278 -0.025 5.029) 5.037 1.474 ( 4.244 -0.273 -1.831) 4.630 1.491 ( -2.199 1.503 4.850) 5.534 1.601 ( 0.855 -0.230 -0.293) 0.933 1.740 ( -1.444 1.455 3.515) 4.069 1.795 ( -0.480 0.510 -0.091) 0.706 1.854 ( -2.385 -0.732 0.873) 2.644 1.969 ( -1.928 -3.782 3.016) 5.207 2.143 ( 4.495 0.101 -3.933) 5.974 2.204 ( -2.436 1.734 -2.465) 3.875 2.303 ( 2.461 1.419 -4.402) 5.239 2.371 ( 0.918 -0.291 0.148) 0.975 2.397 ( -0.890 2.903 -0.472) 3.073 2.431 ( -1.279 2.621 0.806) 3.026 2.528 ( -0.331 -2.275 0.509) 2.355 2.697 ( -0.395 -0.964 -1.346) 1.702 2.857 ( -4.227 0.039 -3.752) 5.652 2.921 ( 0.182 -1.247 -5.133) 5.286 3.011 ( -1.456 0.412 1.361) 2.035 3.079 ( -1.378 -2.396 0.207) 2.772 3.260 ( 2.728 0.030 5.207) 5.878 3.316 ( 1.158 -0.157 1.713) 2.073 3.575 ( 0.901 0.288 0.404) 1.029 3.643 ( -0.478 0.182 -0.007) 0.511 3.723 ( 0.204 1.149 -1.523) 1.919 3.752 ( -1.303 -0.625 -1.053) 1.788 3.941 ( 0.216 -0.042 0.057) 0.227 3.988 ( -0.485 -0.421 -0.146) 0.658 4.485 ( 0.588 0.740 -0.744) 1.203 4.510 ( -0.291 -0.298 -0.438) 0.605 4.605 ( 1.173 0.229 2.464) 2.738 4.842 ( -0.181 -0.283 -0.350) 0.485 5.097 ( 1.551 -0.133 1.687) 2.295 5.470 ( -1.157 0.092 -1.127) 1.618 5.817 ( 0.576 0.157 0.314) 0.675 6.005 ( -0.977 0.029 -0.906) 1.332 6.523 ( 0.008 -0.212 0.022) 0.213 6.574 ( -0.609 -0.106 -1.016) 1.190 6.754 ( 1.247 0.048 1.428) 1.896 6.932 ( -0.399 0.055 -0.392) 0.562 7.386 ( 0.158 0.119 0.072) 0.211 7.455 ( -0.348 0.111 -0.458) 0.586 7.657 ( 0.177 0.109 0.208) 0.294 7.717 ( -0.108 0.156 -0.238) 0.304 7.909 ( 0.061 0.092 -0.011) 0.111 7.911 ( 0.004 0.118 0.018) 0.120 16.362 ( -0.138 -0.602 0.298) 0.686 16.429 ( 0.500 -0.022 -0.815) 0.956 17.186 ( 0.482 2.190 -0.087) 2.244 17.215 ( -0.181 1.196 -0.048) 1.210 17.875 ( -0.508 -0.580 0.674) 1.024 17.924 ( 0.278 -0.460 -0.523) 0.750 19.064 ( 0.173 0.722 -0.285) 0.795 19.074 ( 0.340 0.156 -0.492) 0.618 19.236 ( 0.980 1.342 0.499) 1.735 19.307 ( 0.000 0.607 0.456) 0.759 19.664 ( 0.934 -0.555 0.075) 1.089 19.898 ( -2.743 -0.891 -0.118) 2.886 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 1.274 1.437 1.789) 2.624 0.718 ( 3.384 -0.639 2.204) 4.089 0.785 ( -2.842 -2.887 -1.452) 4.304 0.917 ( 0.288 -4.283 0.108) 4.295 1.007 ( 0.677 0.346 3.992) 4.064 1.154 ( 5.791 -0.236 -0.958) 5.874 1.203 ( 1.472 2.989 6.128) 6.975 1.328 ( 1.785 -2.999 1.786) 3.921 1.346 ( 0.605 2.415 1.687) 3.007 1.438 ( 0.180 0.470 0.973) 1.096 1.571 ( -1.166 2.322 -0.357) 2.622 1.593 ( 2.482 -3.890 4.744) 6.618 1.696 ( -1.040 3.501 0.472) 3.683 1.785 ( 1.753 -0.235 -2.005) 2.673 1.857 ( -2.039 -0.488 1.879) 2.815 2.039 ( -1.230 -2.546 1.029) 3.009 2.121 ( -0.165 0.065 -4.343) 4.347 2.146 ( 2.862 3.681 -3.696) 5.950 2.282 ( 3.659 1.773 -0.837) 4.151 2.349 ( -1.038 2.607 0.621) 2.874 2.382 ( -2.355 1.240 3.863) 4.691 2.407 ( 0.540 -1.823 0.261) 1.919 2.545 ( -2.875 -1.519 -2.112) 3.877 2.696 ( 0.324 0.225 -2.609) 2.639 2.753 ( -11.003 -0.260 -10.636) 15.306 2.926 ( 0.022 -1.917 -4.581) 4.966 3.007 ( -0.648 -0.257 1.967) 2.087 3.105 ( -1.507 -1.799 0.114) 2.350 3.310 ( 2.459 -0.064 4.433) 5.070 3.333 ( 0.458 0.071 2.115) 2.165 3.586 ( 1.907 0.402 1.747) 2.617 3.640 ( 0.175 0.066 0.117) 0.221 3.694 ( 0.540 1.536 -1.207) 2.027 3.747 ( -1.360 -0.767 -2.053) 2.579 3.952 ( 1.066 -0.359 0.641) 1.295 3.993 ( -0.272 -0.618 -0.215) 0.709 4.472 ( 0.614 0.897 -0.235) 1.112 4.505 ( -1.018 -0.115 -1.130) 1.526 4.638 ( 3.197 0.118 4.536) 5.551 4.839 ( -1.066 -0.279 -1.211) 1.637 5.134 ( 3.610 -0.076 4.134) 5.489 5.441 ( -2.882 0.057 -3.172) 4.286 5.825 ( 1.470 0.238 1.367) 2.022 5.983 ( -2.136 0.035 -2.388) 3.204 6.528 ( 0.183 -0.303 0.157) 0.387 6.565 ( -0.854 -0.200 -1.289) 1.559 6.778 ( 2.306 0.118 2.755) 3.595 6.921 ( -1.095 0.087 -1.193) 1.622 7.389 ( 0.604 0.147 0.527) 0.815 7.446 ( -0.609 0.130 -0.838) 1.044 7.659 ( 0.521 0.147 0.587) 0.799 7.709 ( -0.412 0.233 -0.553) 0.728 7.908 ( -0.003 0.164 0.009) 0.164 7.908 ( 0.002 0.154 -0.003) 0.154 16.378 ( 0.103 -0.884 0.534) 1.038 16.430 ( 0.653 0.070 -0.524) 0.840 17.143 ( 0.111 2.941 0.374) 2.967 17.182 ( -0.286 2.056 -0.551) 2.147 17.889 ( -0.201 -0.921 0.724) 1.189 17.935 ( 0.507 -0.652 -0.405) 0.920 19.042 ( -1.104 0.971 -0.639) 1.603 19.067 ( -0.181 0.407 -0.830) 0.942 19.217 ( 0.988 1.743 0.845) 2.174 19.292 ( -0.560 1.235 0.217) 1.373 19.700 ( 3.053 -0.899 2.318) 3.938 19.892 ( -2.930 -1.628 -2.263) 4.045 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 3.602 0.996 5.057) 6.288 0.769 ( 4.797 -0.490 -0.323) 4.832 0.839 ( -1.680 -4.237 0.477) 4.583 0.950 ( 1.438 1.198 7.300) 7.536 1.025 ( -1.300 -1.598 -2.668) 3.370 1.173 ( -0.609 3.349 0.567) 3.450 1.196 ( 0.216 -1.175 4.230) 4.395 1.303 ( -0.956 1.885 -1.018) 2.346 1.403 ( -2.357 -3.312 -0.650) 4.117 1.465 ( 3.964 1.731 1.340) 4.528 1.520 ( 1.068 1.998 1.827) 2.911 1.630 ( 2.150 -1.473 0.709) 2.701 1.734 ( 2.346 -3.609 2.566) 5.011 1.788 ( 0.547 0.835 -0.116) 1.004 1.862 ( 0.286 -0.547 0.601) 0.862 2.021 ( 1.825 1.991 -1.113) 2.921 2.092 ( 4.665 3.360 -3.220) 6.589 2.141 ( -3.403 -2.120 1.087) 4.154 2.270 ( 0.074 2.849 -0.764) 2.951 2.292 ( 1.353 3.065 2.254) 4.038 2.388 ( -1.773 -0.825 4.408) 4.822 2.438 ( -0.473 -1.283 -1.760) 2.229 2.499 ( -6.348 -1.073 -9.304) 11.315 2.642 ( -5.989 -0.844 -6.808) 9.106 2.671 ( -2.146 0.466 -0.077) 2.198 2.936 ( 0.163 -1.556 -4.004) 4.298 3.027 ( 0.791 -0.505 2.629) 2.791 3.112 ( -1.481 -0.248 -0.095) 1.504 3.334 ( 0.631 0.447 1.662) 1.833 3.345 ( 0.345 -0.046 1.933) 1.964 3.606 ( 2.031 0.250 2.116) 2.944 3.643 ( -0.063 -0.289 -0.294) 0.417 3.677 ( 1.503 0.828 0.295) 1.741 3.735 ( -1.799 -0.716 -2.812) 3.414 3.970 ( 0.744 -0.299 0.905) 1.209 4.002 ( 0.071 -0.642 -0.436) 0.780 4.464 ( 0.838 0.835 0.540) 1.301 4.490 ( -1.402 -0.118 -1.450) 2.020 4.691 ( 3.939 -0.142 4.994) 6.363 4.820 ( -2.046 0.016 -2.321) 3.094 5.194 ( 5.070 0.079 5.841) 7.735 5.392 ( -4.311 -0.049 -4.933) 6.551 5.845 ( 2.260 0.220 2.397) 3.302 5.949 ( -2.873 -0.023 -3.345) 4.409 6.536 ( 0.314 -0.242 0.306) 0.500 6.556 ( -0.733 -0.201 -0.997) 1.253 6.811 ( 2.670 0.167 3.150) 4.133 6.901 ( -1.758 0.083 -1.991) 2.658 7.396 ( 0.879 0.069 0.916) 1.272 7.433 ( -0.854 0.053 -1.049) 1.354 7.666 ( 0.717 0.101 0.842) 1.111 7.698 ( -0.636 0.181 -0.808) 1.044 7.904 ( -0.052 0.149 0.008) 0.158 7.906 ( 0.021 0.111 -0.004) 0.113 16.396 ( 0.086 -0.738 0.533) 0.915 16.430 ( 0.496 0.191 -0.328) 0.624 17.100 ( -0.091 2.182 0.662) 2.282 17.144 ( -0.262 1.610 -0.774) 1.806 17.906 ( -0.209 -0.764 0.611) 1.001 17.949 ( 0.681 -0.544 -0.323) 0.930 19.014 ( -1.184 0.775 -0.329) 1.453 19.049 ( -0.486 0.681 -1.107) 1.387 19.209 ( 1.396 1.008 1.693) 2.415 19.260 ( -1.103 1.451 -0.614) 1.924 19.757 ( 3.655 -0.613 3.559) 5.138 19.885 ( -2.952 -1.959 -3.565) 5.026 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 2.232 1.308 3.324) 4.212 0.798 ( 3.097 -0.022 -2.583) 4.033 0.847 ( 5.090 5.060 3.711) 8.080 0.984 ( -0.561 3.188 -5.558) 6.431 1.029 ( -0.535 -4.196 5.579) 7.001 1.115 ( -3.587 0.255 -1.021) 3.739 1.194 ( -6.239 0.820 0.030) 6.292 1.294 ( 3.544 0.723 2.723) 4.528 1.390 ( -3.453 -1.264 -2.119) 4.244 1.451 ( 0.930 -0.431 -0.572) 1.174 1.559 ( -0.291 -2.779 1.903) 3.380 1.725 ( 5.131 -1.472 1.262) 5.485 1.758 ( -0.682 1.466 2.165) 2.702 1.811 ( 0.243 -4.095 -0.377) 4.119 1.884 ( 2.885 0.150 -0.161) 2.893 2.019 ( 1.950 -0.835 -4.033) 4.557 2.071 ( -3.879 2.551 1.276) 4.815 2.132 ( 4.734 1.397 4.679) 6.802 2.204 ( -3.319 2.031 -3.505) 5.236 2.266 ( -0.259 -0.141 -0.246) 0.384 2.383 ( -0.743 1.672 -3.961) 4.363 2.423 ( -0.219 -0.185 1.387) 1.417 2.461 ( -1.725 -0.654 -3.294) 3.776 2.599 ( -1.344 0.250 -2.958) 3.259 2.679 ( -1.451 -1.819 5.619) 6.082 2.937 ( 0.121 -0.509 -3.756) 3.792 3.054 ( 1.640 0.186 2.108) 2.677 3.087 ( -1.136 1.757 -0.266) 2.109 3.332 ( 0.069 0.618 0.567) 0.841 3.349 ( -0.332 0.293 0.175) 0.476 3.629 ( 1.158 -0.326 1.581) 1.987 3.647 ( -0.675 -0.807 -0.688) 1.257 3.693 ( 1.955 -0.329 1.770) 2.658 3.719 ( -2.092 -0.957 -2.749) 3.585 3.979 ( -0.248 -0.098 0.453) 0.526 4.011 ( 0.464 -0.311 -0.287) 0.628 4.463 ( 1.078 0.604 1.309) 1.800 4.476 ( -1.181 -0.405 -1.360) 1.846 4.747 ( 3.536 -0.170 4.156) 5.460 4.783 ( -2.973 0.305 -3.441) 4.558 5.266 ( 5.623 0.114 6.493) 8.590 5.327 ( -5.316 -0.093 -6.215) 8.179 5.877 ( 2.843 0.117 3.234) 4.307 5.909 ( -3.001 -0.160 -3.554) 4.654 6.544 ( 0.430 -0.113 0.518) 0.683 6.550 ( -0.580 -0.091 -0.657) 0.881 6.845 ( 2.602 0.125 2.990) 3.966 6.872 ( -2.267 0.041 -2.677) 3.508 7.409 ( 0.962 -0.094 1.176) 1.522 7.421 ( -0.999 -0.130 -1.083) 1.480 7.675 ( 0.582 -0.013 0.762) 0.958 7.687 ( -0.540 0.034 -0.767) 0.939 7.902 ( -0.021 0.037 0.027) 0.051 7.905 ( 0.016 0.026 -0.025) 0.039 16.406 ( -0.118 -0.134 0.367) 0.408 16.431 ( 0.287 -0.159 -0.183) 0.376 17.081 ( -0.111 0.314 0.791) 0.858 17.123 ( 0.024 0.065 -0.735) 0.738 17.915 ( -0.396 -0.215 0.484) 0.661 17.959 ( 0.516 -0.233 -0.402) 0.695 18.997 ( -0.558 0.341 0.152) 0.672 19.032 ( 0.075 0.466 -0.607) 0.769 19.217 ( 0.200 0.333 0.681) 0.784 19.226 ( 0.295 1.103 -0.290) 1.178 19.806 ( 2.427 -0.086 3.605) 4.347 19.876 ( -2.603 -1.678 -3.619) 4.763 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.663 0.000 -1.648) 1.776 0.681 ( -6.580 -0.000 -1.559) 6.762 0.722 ( 4.030 0.000 -4.225) 5.839 0.859 ( -0.168 -0.000 2.024) 2.031 0.994 ( 0.985 0.000 2.936) 3.097 1.154 ( 12.347 0.000 -1.726) 12.467 1.226 ( -1.501 -0.000 -2.519) 2.932 1.330 ( 0.523 0.000 9.709) 9.723 1.393 ( 3.882 0.000 10.609) 11.297 1.481 ( -4.267 -0.000 -2.263) 4.830 1.530 ( 4.730 0.000 4.563) 6.572 1.611 ( 3.030 0.000 -0.301) 3.045 1.766 ( -3.975 -0.000 2.577) 4.737 1.774 ( -2.116 -0.000 1.119) 2.394 1.860 ( 2.664 0.000 4.212) 4.983 1.919 ( -4.034 -0.000 0.973) 4.150 2.152 ( 0.165 0.000 -3.300) 3.304 2.208 ( 3.015 0.000 -1.060) 3.196 2.294 ( 1.366 0.000 -6.595) 6.735 2.374 ( -0.048 -0.000 -0.936) 0.938 2.404 ( -1.754 -0.000 -2.023) 2.677 2.455 ( -1.161 -0.000 -1.096) 1.597 2.494 ( -0.456 -0.000 -0.096) 0.466 2.692 ( 1.067 0.000 0.512) 1.183 2.753 ( -11.835 -0.000 -11.918) 16.796 2.879 ( -0.064 -0.000 -5.250) 5.251 3.008 ( -3.230 -0.000 1.719) 3.659 3.054 ( 0.458 0.000 1.298) 1.377 3.308 ( 2.099 0.000 5.121) 5.535 3.333 ( 0.719 0.000 2.330) 2.438 3.594 ( 2.056 0.000 1.564) 2.584 3.644 ( 0.100 0.000 0.101) 0.142 3.730 ( -0.879 -0.000 -1.654) 1.873 3.731 ( 0.664 0.000 -1.426) 1.572 3.946 ( 0.798 0.000 0.519) 0.952 3.980 ( -0.163 -0.000 -0.461) 0.489 4.493 ( 0.652 0.000 -0.760) 1.001 4.498 ( -1.071 -0.000 -0.899) 1.398 4.641 ( 2.834 0.000 4.399) 5.232 4.832 ( -0.827 -0.000 -1.020) 1.313 5.132 ( 3.742 0.000 4.274) 5.680 5.443 ( -2.993 -0.000 -3.210) 4.389 5.830 ( 1.487 0.000 1.282) 1.963 5.984 ( -2.159 -0.000 -2.331) 3.178 6.522 ( 0.209 0.000 0.142) 0.253 6.561 ( -0.842 -0.000 -1.451) 1.677 6.781 ( 2.328 0.000 2.798) 3.640 6.923 ( -1.055 -0.000 -1.147) 1.558 7.392 ( 0.622 0.000 0.440) 0.762 7.448 ( -0.618 -0.000 -0.929) 1.116 7.663 ( 0.530 0.000 0.585) 0.789 7.714 ( -0.383 -0.000 -0.556) 0.675 7.911 ( 0.052 0.000 0.014) 0.054 7.911 ( -0.052 -0.000 -0.005) 0.053 16.359 ( 0.142 0.000 0.597) 0.613 16.430 ( 0.944 0.000 -0.741) 1.200 17.212 ( 0.789 0.000 -0.029) 0.789 17.219 ( -0.941 -0.000 -0.226) 0.968 17.871 ( -0.128 -0.000 0.816) 0.826 17.921 ( 0.478 0.000 -0.460) 0.663 19.066 ( -1.122 -0.000 -0.713) 1.329 19.071 ( -0.199 -0.000 -0.901) 0.923 19.257 ( 0.025 0.000 1.156) 1.156 19.313 ( -0.068 -0.000 0.015) 0.070 19.686 ( 4.098 0.000 2.165) 4.635 19.858 ( -3.829 -0.000 -2.036) 4.337 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -1.713 -0.468 0.424) 1.825 0.649 ( -5.099 -3.925 -3.090) 7.138 0.762 ( 4.187 -1.793 -2.729) 5.310 0.857 ( -1.333 -1.192 -0.721) 1.928 1.033 ( 2.006 -0.250 4.874) 5.277 1.213 ( -1.933 -1.981 -3.478) 4.445 1.260 ( 10.961 1.698 4.882) 12.119 1.345 ( 0.235 2.659 8.419) 8.832 1.393 ( -4.140 2.400 -2.107) 5.229 1.493 ( 3.801 -0.168 6.071) 7.165 1.590 ( 3.000 0.499 3.132) 4.365 1.622 ( 2.994 0.711 3.136) 4.393 1.719 ( -2.787 1.548 0.594) 3.243 1.774 ( -0.286 0.077 -3.066) 3.080 1.875 ( -0.547 0.644 4.078) 4.165 1.962 ( -0.802 -3.972 5.085) 6.502 2.131 ( 1.019 0.762 -2.492) 2.798 2.206 ( 3.761 2.538 -3.363) 5.648 2.288 ( 1.189 -1.343 -4.434) 4.783 2.365 ( -1.673 0.434 0.806) 1.907 2.389 ( -1.036 -1.053 -2.160) 2.617 2.400 ( -1.710 2.013 -1.520) 3.047 2.505 ( -1.192 -0.038 -0.683) 1.374 2.589 ( -12.113 -0.802 -11.716) 16.871 2.701 ( 1.066 0.424 -0.608) 1.298 2.867 ( -0.059 -1.467 -4.939) 5.152 2.995 ( -3.232 -0.871 2.402) 4.120 3.078 ( 0.250 -1.142 1.412) 1.833 3.339 ( 0.481 0.006 3.193) 3.229 3.347 ( 0.058 0.079 2.270) 2.272 3.619 ( 2.564 0.316 1.859) 3.183 3.644 ( 0.265 0.148 -0.151) 0.339 3.711 ( 0.164 0.730 -1.496) 1.673 3.729 ( 0.440 0.144 -1.505) 1.574 3.959 ( 1.120 -0.201 0.717) 1.345 3.980 ( 0.066 -0.468 -0.751) 0.887 4.482 ( -1.139 0.086 -0.960) 1.492 4.492 ( 0.187 0.267 -0.674) 0.749 4.690 ( 3.457 0.011 4.880) 5.981 4.817 ( -1.557 -0.099 -1.845) 2.416 5.194 ( 5.230 -0.028 6.012) 7.969 5.392 ( -4.489 0.017 -4.966) 6.694 5.853 ( 2.314 0.142 2.245) 3.227 5.949 ( -2.924 0.031 -3.297) 4.407 6.527 ( 0.394 -0.202 0.266) 0.517 6.549 ( -0.671 -0.150 -1.222) 1.402 6.815 ( 2.654 0.071 3.217) 4.171 6.904 ( -1.674 0.092 -1.893) 2.529 7.400 ( 0.946 0.102 0.723) 1.196 7.436 ( -0.835 0.078 -1.223) 1.483 7.671 ( 0.763 0.113 0.866) 1.160 7.705 ( -0.630 0.169 -0.837) 1.061 7.910 ( -0.092 0.115 -0.016) 0.148 7.910 ( 0.027 0.096 0.025) 0.103 16.369 ( 0.128 -0.566 0.660) 0.879 16.435 ( 1.086 0.071 -0.820) 1.363 17.188 ( -0.827 2.083 -0.084) 2.243 17.209 ( 0.243 1.289 -0.177) 1.324 17.880 ( 0.154 -0.510 0.812) 0.971 17.927 ( 0.667 -0.494 -0.456) 0.947 19.043 ( -1.534 0.699 -0.545) 1.771 19.063 ( -0.631 0.088 -0.874) 1.082 19.251 ( -0.436 1.011 1.399) 1.780 19.303 ( -0.890 0.787 -0.415) 1.258 19.743 ( 5.745 -0.027 3.583) 6.771 19.824 ( -3.629 -1.351 -3.465) 5.196 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.159 -2.082 3.518) 4.249 0.699 ( -3.997 -8.215 -0.602) 9.156 0.788 ( 2.776 0.118 -2.636) 3.830 0.904 ( 0.539 -4.799 -2.099) 5.266 1.066 ( 1.740 1.321 5.612) 6.022 1.201 ( -3.071 0.914 -0.562) 3.253 1.262 ( -1.000 4.589 1.453) 4.916 1.315 ( -1.822 -0.617 -4.278) 4.691 1.358 ( 0.323 1.582 6.212) 6.418 1.511 ( -0.028 2.084 -0.995) 2.309 1.599 ( 3.268 3.381 2.351) 5.257 1.650 ( 4.322 1.646 1.735) 4.939 1.707 ( 1.560 -2.670 1.074) 3.274 1.772 ( -0.006 -1.975 -3.698) 4.192 1.889 ( 1.173 0.672 4.221) 4.432 2.029 ( -2.047 -2.331 3.402) 4.604 2.093 ( 2.330 3.155 -5.396) 6.671 2.192 ( 1.218 1.979 1.856) 2.975 2.272 ( -3.855 0.250 -3.841) 5.448 2.300 ( -4.570 0.717 -7.069) 8.448 2.382 ( -0.673 -1.478 2.959) 3.375 2.427 ( 2.576 -0.102 1.037) 2.779 2.450 ( 0.393 0.555 0.502) 0.845 2.549 ( -2.570 -2.307 -1.494) 3.763 2.681 ( -0.503 1.511 -0.509) 1.672 2.876 ( 0.125 -2.361 -5.035) 5.563 3.014 ( -1.996 -2.037 2.698) 3.925 3.102 ( -0.101 -0.696 1.167) 1.363 3.347 ( -0.567 0.260 1.434) 1.564 3.355 ( -0.248 0.128 1.594) 1.618 3.637 ( 0.724 0.558 -0.109) 0.921 3.640 ( 1.035 0.287 0.290) 1.112 3.699 ( 0.550 0.263 -0.901) 1.088 3.718 ( 0.805 0.830 -1.246) 1.700 3.968 ( -0.436 -0.376 -0.238) 0.623 3.995 ( 1.328 -0.608 0.088) 1.463 4.465 ( -1.720 -0.173 -1.299) 2.163 4.487 ( 0.712 0.571 0.200) 0.934 4.741 ( 3.310 -0.175 4.400) 5.509 4.790 ( -2.465 0.121 -2.929) 3.830 5.270 ( 5.708 0.063 6.552) 8.690 5.326 ( -5.398 -0.050 -6.119) 8.160 5.883 ( 2.909 0.221 3.038) 4.212 5.907 ( -3.104 0.027 -3.568) 4.729 6.537 ( 0.522 -0.276 0.405) 0.716 6.543 ( -0.450 -0.240 -0.823) 0.968 6.850 ( 2.533 0.136 3.051) 3.968 6.875 ( -2.263 0.157 -2.568) 3.426 7.410 ( 1.027 0.122 0.901) 1.372 7.421 ( -0.960 0.088 -1.301) 1.619 7.679 ( 0.738 0.187 0.908) 1.185 7.692 ( -0.706 0.214 -0.941) 1.195 7.906 ( -0.106 0.155 -0.015) 0.188 7.908 ( 0.010 0.148 0.021) 0.150 16.385 ( -0.060 -0.823 0.483) 0.956 16.435 ( 0.649 0.218 -1.016) 1.225 17.138 ( -1.223 2.465 -0.131) 2.755 17.178 ( 0.490 2.376 0.010) 2.426 17.895 ( 0.071 -0.695 0.624) 0.937 17.942 ( 0.813 -0.682 -0.491) 1.169 19.019 ( -1.073 0.768 0.168) 1.330 19.049 ( -0.757 0.390 -0.757) 1.139 19.237 ( -0.798 0.851 1.358) 1.790 19.271 ( -1.102 1.329 -0.710) 1.867 19.781 ( -1.278 -1.087 -1.421) 2.199 19.835 ( 3.944 -0.751 1.444) 4.267 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -2.454 -1.016 0.416) 2.688 0.782 ( -0.567 -1.050 -4.079) 4.250 0.844 ( -1.720 -7.414 1.986) 7.866 0.973 ( 1.657 -2.907 -0.871) 3.458 1.064 ( 1.747 3.489 0.732) 3.970 1.128 ( -2.395 4.195 1.847) 5.171 1.165 ( -6.688 0.898 -1.077) 6.833 1.326 ( 0.505 -1.815 -3.661) 4.117 1.362 ( 1.155 1.424 5.721) 6.008 1.467 ( 1.098 1.706 -1.210) 2.362 1.545 ( -0.430 1.473 -0.222) 1.551 1.687 ( 0.050 -0.988 -3.342) 3.486 1.755 ( -1.148 -0.526 0.307) 1.300 1.803 ( 3.310 -2.571 -2.213) 4.740 1.892 ( -0.106 0.867 -1.005) 1.332 2.019 ( 1.621 2.521 -5.553) 6.310 2.054 ( -5.176 -0.445 1.908) 5.535 2.141 ( -2.676 -0.489 -4.346) 5.127 2.224 ( -0.297 1.115 3.460) 3.648 2.258 ( -0.633 0.806 -0.873) 1.346 2.425 ( -0.810 -0.195 3.621) 3.716 2.439 ( 4.548 2.380 0.617) 5.170 2.501 ( 6.804 -0.053 5.477) 8.734 2.571 ( 0.753 -1.329 0.656) 1.662 2.672 ( -0.872 -1.017 4.729) 4.915 2.892 ( -0.144 -2.036 -4.838) 5.251 3.047 ( -0.655 -1.529 0.887) 1.885 3.111 ( -0.034 0.250 1.885) 1.902 3.340 ( -0.717 0.408 0.429) 0.930 3.351 ( -0.781 0.394 0.005) 0.875 3.620 ( -1.269 0.091 -1.841) 2.238 3.647 ( 0.793 0.241 0.259) 0.868 3.686 ( -1.015 0.125 -2.252) 2.473 3.722 ( 2.765 0.298 1.662) 3.239 3.968 ( -0.691 -0.465 -0.686) 1.079 4.013 ( 0.942 -0.257 0.316) 1.027 4.451 ( -1.500 -0.464 -1.212) 1.983 4.487 ( 0.981 0.458 0.927) 1.425 4.744 ( -3.461 0.423 -4.085) 5.370 4.789 ( 2.717 -0.209 3.427) 4.379 5.251 ( -5.590 -0.041 -6.433) 8.523 5.344 ( 5.243 0.125 5.992) 7.963 5.867 ( -2.745 -0.077 -3.177) 4.200 5.920 ( 3.123 0.198 3.438) 4.649 6.541 ( -0.326 -0.195 -0.507) 0.633 6.548 ( 0.646 -0.230 0.635) 0.935 6.839 ( -2.671 0.116 -3.021) 4.034 6.880 ( 2.175 0.144 2.559) 3.361 7.406 ( -0.983 0.014 -1.190) 1.543 7.422 ( 0.949 0.007 1.000) 1.379 7.675 ( -0.737 0.180 -0.831) 1.125 7.689 ( 0.701 0.089 0.751) 1.031 7.903 ( -0.072 0.098 0.005) 0.121 7.906 ( 0.003 0.121 -0.000) 0.121 16.399 ( -0.240 -0.691 0.219) 0.764 16.429 ( 0.031 0.084 -0.963) 0.967 17.092 ( -1.149 1.482 -0.146) 1.881 17.145 ( 0.697 1.962 0.253) 2.098 17.908 ( -0.151 -0.518 0.453) 0.704 17.955 ( 0.552 -0.432 -0.628) 0.941 19.004 ( -0.308 0.559 0.835) 1.051 19.036 ( -0.213 0.236 -0.287) 0.428 19.214 ( -1.804 0.616 -1.494) 2.422 19.250 ( 0.195 0.813 1.402) 1.632 19.774 ( -3.258 -1.890 -3.423) 5.090 19.888 ( 5.056 0.660 3.419) 6.139 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -9.032 -0.000 -4.718) 10.190 0.572 ( -3.372 -0.000 0.468) 3.404 0.769 ( 5.139 0.000 -0.561) 5.169 0.827 ( -1.692 -0.000 -3.776) 4.137 1.085 ( 4.671 0.000 5.362) 7.111 1.159 ( -1.929 -0.000 -3.878) 4.331 1.327 ( -10.030 -0.000 -6.455) 11.928 1.391 ( 8.581 0.000 5.168) 10.017 1.413 ( -1.807 -0.000 5.079) 5.391 1.518 ( 1.944 0.000 3.949) 4.402 1.659 ( 2.768 0.000 5.715) 6.350 1.669 ( 4.458 0.000 -0.254) 4.465 1.732 ( -2.817 -0.000 3.681) 4.635 1.751 ( 0.410 0.000 -2.908) 2.937 1.877 ( -1.777 -0.000 5.784) 6.051 1.996 ( 5.451 0.000 4.961) 7.370 2.135 ( 0.714 0.000 4.144) 4.205 2.228 ( -0.928 -0.000 -8.049) 8.103 2.274 ( 5.564 0.000 -2.198) 5.983 2.313 ( -9.224 -0.000 -11.751) 14.939 2.351 ( -3.203 -0.000 -0.862) 3.317 2.368 ( -2.087 -0.000 -3.058) 3.702 2.485 ( -4.243 -0.000 -2.137) 4.751 2.515 ( 3.654 0.000 3.006) 4.732 2.712 ( 0.656 0.000 -0.208) 0.688 2.834 ( -0.016 -0.000 -3.830) 3.830 2.966 ( -4.130 -0.000 2.508) 4.832 3.079 ( 0.154 0.000 1.858) 1.864 3.351 ( -0.583 -0.000 2.100) 2.180 3.358 ( -0.248 -0.000 2.043) 2.058 3.645 ( -0.119 -0.000 -0.772) 0.781 3.650 ( 2.260 0.000 0.959) 2.455 3.713 ( 0.903 0.000 -1.247) 1.540 3.733 ( 1.224 0.000 -1.057) 1.617 3.970 ( -0.142 -0.000 -1.257) 1.265 3.973 ( 1.672 0.000 0.592) 1.773 4.463 ( -1.838 -0.000 -1.144) 2.165 4.497 ( 0.444 0.000 -0.303) 0.538 4.738 ( 3.045 0.000 4.230) 5.212 4.792 ( -1.976 -0.000 -2.531) 3.211 5.271 ( 5.825 0.000 6.634) 8.828 5.324 ( -5.637 -0.000 -6.238) 8.408 5.888 ( 2.974 0.000 3.012) 4.232 5.908 ( -3.139 -0.000 -3.543) 4.734 6.531 ( 0.611 0.000 0.377) 0.718 6.538 ( -0.417 -0.000 -0.954) 1.041 6.852 ( 2.528 0.000 3.084) 3.988 6.879 ( -2.102 -0.000 -2.542) 3.299 7.413 ( 1.137 0.000 0.751) 1.362 7.423 ( -0.951 -0.000 -1.393) 1.687 7.683 ( 0.851 0.000 0.996) 1.310 7.696 ( -0.788 -0.000 -1.055) 1.317 7.910 ( -0.139 -0.000 -0.032) 0.142 7.911 ( 0.011 0.000 0.041) 0.042 16.368 ( -0.030 -0.000 0.592) 0.593 16.440 ( 1.395 0.000 -1.422) 1.992 17.192 ( -1.712 -0.000 -0.714) 1.855 17.227 ( 0.742 0.000 0.462) 0.874 17.882 ( 0.534 0.000 0.741) 0.913 17.926 ( 0.773 0.000 -0.558) 0.953 19.035 ( -1.465 -0.000 -0.188) 1.477 19.055 ( -0.899 -0.000 -0.347) 0.964 19.257 ( -1.509 -0.000 1.543) 2.158 19.298 ( -1.722 -0.000 -0.622) 1.831 19.758 ( -4.108 -0.000 -4.456) 6.061 19.821 ( 7.973 0.000 4.361) 9.088 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -7.258 -8.584 -0.727) 11.265 0.556 ( -6.694 -2.259 1.496) 7.221 0.788 ( -0.133 0.390 -4.586) 4.605 0.842 ( 3.921 -3.193 0.198) 5.061 1.120 ( 1.308 0.627 0.095) 1.454 1.170 ( -4.117 -2.422 -5.171) 7.040 1.181 ( -9.077 0.211 -4.465) 10.118 1.341 ( -1.586 4.864 0.975) 5.209 1.471 ( 2.624 1.056 5.249) 5.962 1.552 ( 3.450 2.706 3.003) 5.314 1.647 ( -3.126 -0.158 -2.700) 4.134 1.692 ( 4.436 1.158 1.229) 4.746 1.727 ( 0.170 1.060 -5.787) 5.885 1.769 ( 3.603 0.230 7.702) 8.506 1.905 ( -0.611 0.324 7.552) 7.584 2.027 ( 1.559 0.895 -0.662) 1.916 2.131 ( -4.868 0.991 -10.411) 11.535 2.157 ( -1.866 2.800 -5.263) 6.247 2.235 ( -0.324 -2.632 1.236) 2.926 2.281 ( 0.793 0.392 1.662) 1.882 2.369 ( 0.989 -2.748 1.249) 3.176 2.396 ( -1.207 -3.801 -1.649) 4.316 2.447 ( -1.474 0.226 1.900) 2.415 2.583 ( 8.042 0.767 7.109) 10.761 2.702 ( -0.244 1.243 -0.174) 1.278 2.823 ( -0.093 -1.019 -3.765) 3.901 2.968 ( -2.877 -2.132 2.836) 4.568 3.095 ( -0.188 -0.678 1.872) 1.999 3.350 ( -1.169 0.200 0.994) 1.548 3.362 ( -0.369 0.221 1.182) 1.258 3.632 ( -1.024 0.259 -1.857) 2.136 3.660 ( 0.576 0.289 -0.398) 0.757 3.711 ( 1.904 1.028 -1.038) 2.400 3.739 ( 2.103 0.274 -0.485) 2.176 3.957 ( -0.439 0.189 -1.118) 1.216 3.997 ( 1.525 -0.686 0.168) 1.681 4.443 ( -1.914 -0.048 -0.976) 2.149 4.498 ( 0.466 0.124 0.129) 0.499 4.758 ( -2.589 0.291 -3.423) 4.302 4.780 ( 2.402 -0.202 3.275) 4.066 5.247 ( -5.834 -0.153 -6.505) 8.739 5.347 ( 5.363 0.048 6.046) 8.082 5.867 ( -2.813 0.033 -3.163) 4.233 5.927 ( 3.227 0.167 3.376) 4.673 6.533 ( -0.228 -0.172 -0.642) 0.703 6.540 ( 0.755 -0.173 0.502) 0.923 6.845 ( -2.499 0.203 -3.078) 3.970 6.884 ( 2.137 0.076 2.599) 3.365 7.408 ( -0.942 0.068 -1.314) 1.618 7.425 ( 1.047 0.099 0.669) 1.246 7.683 ( -0.817 0.197 -1.066) 1.357 7.693 ( 0.751 0.092 0.896) 1.173 7.907 ( -0.144 0.094 -0.027) 0.174 7.911 ( -0.010 0.103 0.033) 0.109 16.374 ( -0.250 -0.514 0.416) 0.707 16.438 ( 0.880 0.368 -2.254) 2.448 17.160 ( -1.791 1.605 -0.563) 2.470 17.221 ( 0.679 1.618 0.472) 1.816 17.892 ( 0.434 -0.218 0.444) 0.658 17.935 ( 0.932 -0.552 -0.654) 1.265 19.023 ( -0.821 0.365 0.543) 1.050 19.044 ( -1.201 0.178 -0.074) 1.216 19.242 ( -2.288 1.015 0.655) 2.587 19.276 ( -1.517 0.271 0.383) 1.588 19.715 ( -3.495 -1.131 -4.278) 5.639 19.906 ( 7.899 0.247 4.036) 8.874 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -7.135 -3.639 -1.323) 8.118 0.650 ( -6.380 -10.547 5.261) 13.402 0.753 ( -1.264 -0.651 -5.935) 6.102 0.930 ( 2.854 -3.124 -0.419) 4.253 1.010 ( -15.887 -3.463 -11.737) 20.053 1.126 ( 2.271 0.390 -0.399) 2.338 1.192 ( -1.112 2.487 2.897) 3.977 1.310 ( 4.733 -0.239 0.506) 4.766 1.460 ( 1.796 4.338 4.717) 6.655 1.519 ( 2.491 3.595 -0.071) 4.374 1.599 ( -0.654 2.944 -4.077) 5.071 1.646 ( -2.761 1.147 -4.815) 5.668 1.737 ( 0.774 -1.187 -2.747) 3.091 1.810 ( 2.579 2.453 5.084) 6.206 1.889 ( -2.933 0.481 -1.502) 3.330 2.012 ( -3.664 -1.630 3.764) 5.500 2.070 ( 1.598 3.797 -5.078) 6.539 2.104 ( 1.665 -0.984 -3.083) 3.639 2.212 ( -2.537 1.030 -2.112) 3.458 2.301 ( 0.198 1.866 2.430) 3.070 2.421 ( 0.891 -2.830 3.343) 4.470 2.466 ( -0.399 -4.029 1.518) 4.324 2.502 ( 3.130 -2.171 1.958) 4.283 2.670 ( 6.113 1.204 4.546) 7.713 2.685 ( 2.890 1.339 7.258) 7.926 2.832 ( 0.002 -2.053 -2.842) 3.506 3.013 ( -0.103 -2.605 2.201) 3.412 3.114 ( -0.404 -0.569 2.013) 2.131 3.338 ( -1.524 0.199 0.099) 1.540 3.352 ( -0.773 0.684 -0.601) 1.194 3.602 ( -1.926 0.431 -2.750) 3.385 3.651 ( -0.377 0.330 -0.681) 0.845 3.691 ( 0.663 1.580 -2.027) 2.654 3.758 ( 3.157 0.107 1.211) 3.383 3.951 ( -0.295 -0.445 -0.851) 1.004 4.016 ( 0.712 -0.357 -0.076) 0.800 4.427 ( -1.588 -0.301 -0.654) 1.743 4.502 ( 0.587 0.115 0.570) 0.826 4.706 ( -3.287 0.736 -4.253) 5.425 4.815 ( 1.681 -0.393 2.325) 2.896 5.177 ( -4.950 -0.167 -5.580) 7.461 5.410 ( 4.170 0.132 4.647) 6.245 5.834 ( -2.113 0.002 -2.343) 3.155 5.964 ( 2.880 0.247 3.097) 4.236 6.533 ( -0.129 -0.240 -0.378) 0.466 6.553 ( 0.850 -0.262 0.743) 1.159 6.805 ( -2.778 0.203 -3.172) 4.221 6.908 ( 1.593 0.126 1.907) 2.488 7.394 ( -0.796 0.080 -1.025) 1.300 7.434 ( 0.751 0.051 0.676) 1.012 7.668 ( -0.712 0.212 -0.898) 1.165 7.701 ( 0.602 0.147 0.735) 0.961 7.904 ( -0.108 0.113 -0.006) 0.157 7.908 ( -0.019 0.152 0.011) 0.154 16.384 ( -0.369 -0.770 0.264) 0.894 16.423 ( -0.278 0.156 -2.217) 2.240 17.112 ( -1.483 2.021 -0.209) 2.516 17.192 ( 0.647 2.455 0.390) 2.568 17.901 ( 0.009 -0.467 0.296) 0.553 17.948 ( 0.700 -0.492 -0.846) 1.203 19.016 ( -0.333 0.427 1.203) 1.319 19.033 ( -0.739 -0.015 0.008) 0.739 19.201 ( -2.286 0.847 -1.510) 2.867 19.268 ( -0.864 0.708 1.999) 2.290 19.699 ( -2.599 -1.933 -3.229) 4.573 19.968 ( 6.293 1.244 3.065) 7.109 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -10.047 -0.000 -1.989) 10.242 0.476 ( -11.424 -0.000 4.544) 12.295 0.759 ( -0.901 -0.000 -5.320) 5.395 0.853 ( 1.045 0.000 0.180) 1.060 0.947 ( -19.542 -0.000 -13.655) 23.840 1.110 ( 1.080 0.000 -2.345) 2.582 1.225 ( 5.191 0.000 3.242) 6.121 1.427 ( -1.618 -0.000 -2.532) 3.005 1.448 ( 2.627 0.000 3.819) 4.635 1.599 ( -0.908 -0.000 -2.393) 2.560 1.687 ( -0.772 -0.000 -5.025) 5.084 1.690 ( 6.782 0.000 0.311) 6.789 1.734 ( -0.576 -0.000 3.867) 3.910 1.808 ( 0.826 0.000 9.049) 9.087 1.972 ( -3.982 -0.000 1.920) 4.421 2.042 ( 2.320 0.000 -3.643) 4.319 2.055 ( 0.979 0.000 -1.726) 1.985 2.154 ( -1.203 -0.000 -5.642) 5.769 2.218 ( 1.361 0.000 0.649) 1.508 2.281 ( -3.203 -0.000 0.199) 3.209 2.341 ( -0.570 -0.000 -1.005) 1.155 2.344 ( 1.060 0.000 3.390) 3.552 2.445 ( -2.381 -0.000 1.531) 2.831 2.705 ( 1.296 0.000 5.111) 5.273 2.719 ( 8.251 0.000 5.626) 9.987 2.803 ( 0.231 0.000 -2.740) 2.749 2.944 ( -1.446 -0.000 4.253) 4.492 3.099 ( 0.146 0.000 2.281) 2.286 3.343 ( -1.698 -0.000 -0.153) 1.705 3.365 ( -0.553 -0.000 0.306) 0.632 3.610 ( -1.941 -0.000 -2.924) 3.510 3.659 ( -0.299 -0.000 -0.636) 0.703 3.738 ( 3.080 0.000 -2.769) 4.142 3.753 ( 1.868 0.000 0.052) 1.868 3.954 ( -0.189 -0.000 -1.210) 1.225 4.000 ( 1.233 0.000 -0.097) 1.237 4.424 ( -1.822 -0.000 -0.460) 1.879 4.502 ( 0.298 0.000 0.251) 0.390 4.722 ( -2.729 -0.000 -3.924) 4.780 4.807 ( 1.579 0.000 2.098) 2.626 5.170 ( -5.145 -0.000 -5.606) 7.609 5.412 ( 4.231 0.000 4.713) 6.334 5.834 ( -2.149 -0.000 -2.325) 3.166 5.970 ( 2.968 0.000 3.035) 4.245 6.527 ( -0.082 -0.000 -0.456) 0.463 6.548 ( 0.901 0.000 0.613) 1.090 6.812 ( -2.431 -0.000 -3.524) 4.282 6.911 ( 1.581 0.000 1.920) 2.487 7.396 ( -0.771 -0.000 -1.060) 1.311 7.436 ( 0.815 0.000 0.299) 0.868 7.673 ( -0.743 -0.000 -1.040) 1.278 7.704 ( 0.593 0.000 0.762) 0.965 7.907 ( -0.146 -0.000 -0.021) 0.147 7.912 ( -0.029 -0.000 0.025) 0.038 16.369 ( -0.394 -0.000 0.390) 0.554 16.434 ( 0.735 0.000 -4.181) 4.245 17.157 ( -1.788 -0.000 -0.392) 1.830 17.242 ( 0.528 0.000 0.421) 0.675 17.897 ( 0.626 0.000 -0.135) 0.641 17.934 ( 0.970 0.000 -0.703) 1.198 19.024 ( -0.386 -0.000 0.791) 0.880 19.034 ( -1.800 -0.000 0.282) 1.822 19.249 ( -3.067 -0.000 -0.985) 3.222 19.257 ( -0.858 -0.000 3.777) 3.873 19.661 ( -2.581 -0.000 -3.560) 4.398 19.989 ( 7.482 0.000 3.083) 8.093 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -7.351 -9.730 -2.104) 12.375 0.458 ( -11.280 -6.960 9.286) 16.184 0.666 ( -19.665 -2.131 -12.965) 23.651 0.744 ( -5.709 -2.081 -5.916) 8.481 0.929 ( 3.644 -1.304 1.653) 4.208 1.138 ( 3.852 -1.138 -0.175) 4.021 1.233 ( -0.212 2.556 -0.220) 2.574 1.386 ( 5.460 1.313 0.613) 5.649 1.490 ( -2.146 -0.892 -1.533) 2.784 1.557 ( 0.523 2.372 -4.908) 5.476 1.612 ( 1.267 4.008 -5.189) 6.678 1.706 ( 0.755 2.984 4.196) 5.204 1.753 ( 2.253 1.189 -0.441) 2.585 1.863 ( -2.671 0.525 0.086) 2.724 1.902 ( -1.005 2.431 5.766) 6.338 1.990 ( -2.201 1.614 0.517) 2.778 2.065 ( -1.111 -0.290 -4.079) 4.238 2.143 ( 4.935 1.345 1.374) 5.296 2.211 ( -0.375 1.127 -3.537) 3.731 2.327 ( 0.466 -1.355 2.385) 2.783 2.354 ( -1.205 -3.611 -0.670) 3.866 2.413 ( 1.733 -5.092 1.950) 5.721 2.468 ( 0.277 -3.475 4.990) 6.087 2.701 ( -0.580 0.857 1.845) 2.115 2.782 ( 1.221 1.211 -1.258) 2.131 2.822 ( 3.055 -1.093 5.047) 6.000 3.005 ( 4.567 -1.837 6.550) 8.193 3.115 ( 0.147 -0.154 2.014) 2.026 3.324 ( -1.896 0.061 -1.024) 2.156 3.351 ( -1.355 0.570 -1.750) 2.285 3.577 ( -2.015 0.219 -2.823) 3.475 3.652 ( -0.257 0.327 0.011) 0.416 3.713 ( 0.033 1.901 -3.788) 4.239 3.781 ( 2.809 -0.795 0.432) 2.951 3.944 ( 0.044 0.120 -0.521) 0.537 4.013 ( 0.610 -0.391 -0.357) 0.808 4.410 ( -1.437 -0.083 0.102) 1.443 4.508 ( 0.354 -0.110 0.406) 0.550 4.676 ( -2.464 0.644 -3.660) 4.459 4.826 ( 0.662 -0.329 1.034) 1.271 5.116 ( -3.324 -0.259 -3.636) 4.933 5.458 ( 2.641 0.111 2.885) 3.913 5.811 ( -1.279 0.016 -1.278) 1.808 6.001 ( 2.005 0.182 2.012) 2.847 6.527 ( 0.015 -0.178 -0.236) 0.295 6.560 ( 0.869 -0.184 0.778) 1.181 6.772 ( -2.463 0.255 -3.174) 4.025 6.928 ( 0.936 0.076 1.110) 1.454 7.386 ( -0.476 0.069 -0.600) 0.769 7.441 ( 0.419 0.013 0.463) 0.624 7.662 ( -0.471 0.129 -0.647) 0.810 7.710 ( 0.348 0.105 0.474) 0.598 7.905 ( -0.109 0.072 -0.000) 0.131 7.911 ( -0.036 0.103 0.002) 0.109 16.372 ( -0.406 -0.486 0.458) 0.781 16.407 ( -0.862 0.202 -3.991) 4.088 17.131 ( -1.395 1.394 0.112) 1.976 17.233 ( 0.389 1.576 0.153) 1.631 17.896 ( -0.137 -0.052 -0.346) 0.376 17.942 ( 0.876 -0.374 -0.861) 1.284 19.019 ( -1.707 0.116 0.346) 1.746 19.028 ( -0.128 -0.128 0.732) 0.755 19.197 ( -2.499 1.623 -0.675) 3.055 19.283 ( -0.333 0.302 3.672) 3.699 19.643 ( -1.320 -1.253 -1.839) 2.587 20.048 ( 5.796 0.773 1.527) 6.044 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( -8.660 -0.000 4.871) 9.936 0.316 ( -18.967 -0.000 1.379) 19.017 0.388 ( -21.428 -0.000 2.693) 21.596 0.719 ( 0.943 0.000 -1.006) 1.379 0.946 ( 1.548 0.000 -0.045) 1.549 1.169 ( 6.364 0.000 0.803) 6.415 1.277 ( 1.140 0.000 0.090) 1.143 1.327 ( -5.140 -0.000 -4.187) 6.630 1.550 ( 4.017 0.000 -7.338) 8.366 1.576 ( 2.941 0.000 -3.948) 4.923 1.632 ( 2.608 0.000 -1.626) 3.074 1.753 ( -3.245 -0.000 1.664) 3.647 1.759 ( 1.197 0.000 -2.239) 2.538 1.892 ( -0.932 -0.000 7.055) 7.116 1.902 ( 0.629 0.000 3.365) 3.423 2.011 ( -4.254 -0.000 -3.767) 5.682 2.044 ( 2.732 0.000 -3.516) 4.453 2.184 ( -0.772 -0.000 -5.721) 5.773 2.221 ( 2.229 0.000 1.828) 2.883 2.256 ( -1.643 -0.000 1.866) 2.486 2.343 ( 0.667 0.000 2.767) 2.846 2.383 ( -1.256 -0.000 5.094) 5.247 2.460 ( 1.539 0.000 4.812) 5.052 2.713 ( -0.037 -0.000 1.987) 1.988 2.791 ( 0.877 0.000 -1.189) 1.478 2.824 ( -2.199 -0.000 1.144) 2.478 3.066 ( 3.794 0.000 3.951) 5.478 3.131 ( 1.068 0.000 0.609) 1.229 3.305 ( -1.248 -0.000 -1.367) 1.851 3.332 ( -1.254 -0.000 -2.627) 2.911 3.559 ( -0.420 -0.000 -0.474) 0.633 3.665 ( 2.234 0.000 3.711) 4.332 3.703 ( -2.013 -0.000 -4.597) 5.018 3.783 ( 1.075 0.000 0.613) 1.238 3.947 ( 0.227 0.000 0.164) 0.280 4.013 ( 0.740 0.000 0.046) 0.742 4.402 ( -0.999 -0.000 0.850) 1.311 4.510 ( 0.079 0.000 0.088) 0.118 4.654 ( -0.691 -0.000 -1.771) 1.901 4.826 ( -0.249 -0.000 -0.055) 0.255 5.084 ( -1.080 -0.000 -1.046) 1.504 5.482 ( 0.810 0.000 0.777) 1.122 5.801 ( -0.431 -0.000 -0.184) 0.468 6.020 ( 0.913 0.000 0.872) 1.263 6.525 ( 0.125 0.000 -0.037) 0.130 6.568 ( 0.499 0.000 0.589) 0.772 6.744 ( -1.489 -0.000 -1.742) 2.291 6.936 ( 0.238 0.000 0.242) 0.340 7.383 ( -0.082 -0.000 -0.006) 0.083 7.451 ( 1.205 0.000 2.117) 2.436 7.659 ( -0.094 -0.000 -0.150) 0.177 7.714 ( 0.068 0.000 0.141) 0.156 7.905 ( -0.081 -0.000 0.018) 0.083 7.911 ( -0.039 -0.000 -0.021) 0.044 16.368 ( -0.322 -0.000 0.772) 0.837 16.382 ( -0.162 -0.000 -0.914) 0.928 17.135 ( -1.003 -0.000 0.509) 1.125 17.249 ( 0.087 0.000 -0.213) 0.230 17.889 ( -0.726 -0.000 -0.808) 1.086 17.942 ( 0.917 0.000 -0.634) 1.115 19.005 ( -1.717 -0.000 0.038) 1.717 19.030 ( -0.185 -0.000 0.661) 0.687 19.195 ( -2.158 -0.000 -0.823) 2.309 19.322 ( 1.993 0.000 2.903) 3.522 19.624 ( 0.285 0.000 0.788) 0.838 20.093 ( 3.463 0.000 -0.488) 3.497 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 2.542 0.000 10.140) 10.454 0.483 ( -1.229 -0.000 5.884) 6.011 0.704 ( 3.044 0.000 -3.744) 4.826 0.753 ( -1.510 -0.000 -4.283) 4.541 1.011 ( 6.890 0.000 15.950) 17.375 1.145 ( 0.268 0.000 -0.909) 0.948 1.304 ( -0.958 -0.000 1.854) 2.087 1.380 ( 2.605 0.000 -2.510) 3.617 1.476 ( -4.674 -0.000 -1.053) 4.791 1.534 ( -0.967 -0.000 -6.716) 6.785 1.606 ( 6.166 0.000 1.529) 6.352 1.659 ( -5.573 -0.000 -1.863) 5.876 1.746 ( 2.610 0.000 1.837) 3.192 1.799 ( -3.127 -0.000 -4.560) 5.530 1.915 ( 4.088 0.000 4.158) 5.831 1.992 ( -1.755 -0.000 -3.627) 4.030 2.125 ( 9.424 0.000 6.509) 11.454 2.180 ( 0.422 0.000 4.184) 4.205 2.229 ( -1.432 -0.000 0.253) 1.455 2.238 ( -4.969 -0.000 -2.867) 5.737 2.381 ( -0.914 -0.000 0.630) 1.110 2.448 ( 0.143 0.000 2.240) 2.245 2.461 ( -0.358 -0.000 -0.001) 0.358 2.513 ( -7.862 -0.000 -12.359) 14.648 2.841 ( 2.968 0.000 1.551) 3.349 2.846 ( 0.515 0.000 4.998) 5.024 2.876 ( -3.244 -0.000 -1.041) 3.406 2.962 ( -2.209 -0.000 -5.753) 6.163 3.293 ( 0.944 0.000 0.266) 0.980 3.312 ( -0.244 -0.000 -1.500) 1.520 3.680 ( 1.756 0.000 4.003) 4.371 3.724 ( -0.034 -0.000 2.091) 2.092 3.760 ( 0.384 0.000 -3.546) 3.567 3.770 ( -0.786 -0.000 -1.717) 1.888 4.012 ( 1.216 0.000 1.439) 1.884 4.029 ( -0.532 -0.000 -0.376) 0.651 4.454 ( 0.225 0.000 2.220) 2.232 4.486 ( -0.122 -0.000 -1.133) 1.139 4.738 ( 3.160 0.000 2.589) 4.085 4.784 ( -2.126 -0.000 -2.232) 3.082 5.231 ( 5.700 0.000 7.099) 9.104 5.362 ( -4.908 -0.000 -6.317) 8.000 5.868 ( 2.485 0.000 3.389) 4.203 5.939 ( -3.102 -0.000 -3.955) 5.027 6.541 ( 0.589 0.000 0.693) 0.910 6.555 ( -0.780 -0.000 -0.710) 1.055 6.833 ( 2.943 0.000 2.750) 4.028 6.884 ( -2.182 -0.000 -2.528) 3.340 7.424 ( 1.043 0.000 1.901) 2.168 7.461 ( -1.013 -0.000 -1.891) 2.146 7.679 ( 0.807 0.000 0.884) 1.197 7.695 ( -0.755 -0.000 -0.859) 1.144 7.906 ( 0.019 0.000 0.102) 0.103 7.909 ( -0.020 -0.000 -0.106) 0.108 16.413 ( -0.523 -0.000 2.511) 2.565 16.465 ( 1.540 0.000 -2.809) 3.203 17.174 ( 0.711 0.000 2.096) 2.213 17.212 ( -0.612 -0.000 -1.853) 1.952 17.922 ( -0.065 -0.000 0.702) 0.705 17.936 ( 0.562 0.000 -0.748) 0.936 19.004 ( 0.464 0.000 0.603) 0.761 19.015 ( -1.016 -0.000 -0.500) 1.133 19.179 ( 1.511 0.000 0.133) 1.517 19.187 ( -2.421 -0.000 -0.806) 2.551 19.815 ( 2.957 0.000 8.127) 8.648 19.966 ( -2.960 -0.000 -7.468) 8.034 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 4.727 -3.576 9.421) 11.131 0.531 ( 1.040 -4.526 -1.581) 4.906 0.699 ( -3.045 0.245 -6.258) 6.964 0.732 ( 3.452 -0.916 -0.580) 3.618 1.122 ( 1.348 -0.990 3.815) 4.166 1.141 ( -0.447 -1.074 -3.601) 3.784 1.280 ( 0.101 3.797 4.325) 5.757 1.303 ( -2.037 3.850 -4.466) 6.238 1.462 ( -2.074 -0.748 2.983) 3.710 1.515 ( 0.746 0.203 -3.151) 3.245 1.613 ( -7.158 -2.077 -3.984) 8.452 1.699 ( 5.172 -3.499 3.659) 7.238 1.761 ( -1.853 0.292 -2.116) 2.828 1.798 ( 3.667 -1.436 1.965) 4.401 1.927 ( -6.394 0.205 -2.912) 7.028 1.981 ( 2.294 -2.140 0.442) 3.167 2.103 ( -6.801 3.781 -3.370) 8.479 2.203 ( 7.990 4.035 3.052) 9.458 2.227 ( 1.734 0.145 2.005) 2.654 2.239 ( 0.415 0.227 -2.539) 2.583 2.394 ( 4.304 -0.337 7.969) 9.063 2.410 ( -1.252 1.065 -5.017) 5.279 2.457 ( -0.637 0.296 2.787) 2.874 2.485 ( 0.503 -1.411 -1.275) 1.967 2.853 ( -3.174 -1.586 -2.561) 4.376 2.867 ( 2.218 0.790 4.134) 4.757 2.919 ( 2.127 -2.710 4.352) 5.551 2.938 ( -0.122 -2.030 -4.456) 4.898 3.304 ( 0.156 -0.420 0.097) 0.458 3.304 ( -0.517 -0.469 -1.208) 1.395 3.698 ( 0.006 0.891 2.545) 2.697 3.708 ( -1.665 1.014 -2.299) 3.015 3.747 ( 0.134 0.306 1.035) 1.088 3.758 ( -0.389 0.099 -1.838) 1.881 4.010 ( -1.132 0.794 -0.121) 1.388 4.020 ( 0.264 0.435 0.167) 0.536 4.467 ( 0.568 -0.070 1.895) 1.980 4.478 ( -0.007 0.104 -1.460) 1.464 4.750 ( -3.053 0.036 -2.904) 4.213 4.772 ( 2.534 0.029 2.243) 3.384 5.285 ( -5.796 0.081 -7.162) 9.214 5.311 ( 5.505 -0.005 6.853) 8.790 5.895 ( -2.781 0.175 -3.602) 4.554 5.907 ( 2.964 0.144 3.850) 4.861 6.546 ( -0.729 -0.042 -0.638) 0.970 6.550 ( 0.629 -0.024 0.800) 1.018 6.851 ( -2.601 0.065 -3.038) 4.000 6.866 ( 2.510 0.149 2.592) 3.612 7.437 ( -1.281 0.497 -1.642) 2.141 7.438 ( 0.831 0.371 1.707) 1.934 7.684 ( -0.769 0.122 -0.885) 1.179 7.689 ( 0.862 0.104 0.851) 1.216 7.907 ( 0.048 0.081 0.101) 0.138 7.907 ( 0.011 0.079 -0.102) 0.129 16.417 ( -1.154 0.142 1.855) 2.190 16.450 ( 0.329 0.641 -2.489) 2.591 17.175 ( 0.540 1.674 1.711) 2.454 17.186 ( -0.099 1.448 -1.636) 2.187 17.922 ( -0.844 -0.109 0.632) 1.060 17.938 ( 0.185 -0.308 -0.956) 1.021 19.006 ( -0.351 0.235 -0.250) 0.491 19.015 ( 1.313 0.044 0.708) 1.492 19.176 ( -0.762 -0.385 -0.380) 0.934 19.200 ( 2.659 -0.342 0.596) 2.746 19.874 ( 1.767 0.341 7.224) 7.445 19.895 ( -3.801 0.467 -6.990) 7.971 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.360 -4.258 -3.637) 5.611 0.638 ( -2.681 -1.930 -6.292) 7.107 0.694 ( 5.940 -4.665 4.368) 8.725 0.781 ( 3.589 -2.039 -0.171) 4.131 1.116 ( -6.447 -0.121 -1.830) 6.702 1.130 ( -0.781 -0.357 -2.344) 2.497 1.194 ( -0.151 3.070 0.137) 3.076 1.280 ( -0.734 -0.476 0.699) 1.120 1.476 ( -1.672 2.276 2.482) 3.760 1.480 ( 0.467 0.138 -1.760) 1.826 1.588 ( -3.382 -1.804 -3.367) 5.102 1.727 ( -2.667 1.109 -0.398) 2.916 1.783 ( -6.110 -1.808 -4.166) 7.613 1.835 ( -0.824 -0.365 -1.491) 1.742 1.864 ( -0.016 -2.625 0.786) 2.740 1.969 ( -2.574 3.387 -2.490) 4.930 2.086 ( 3.879 0.393 2.376) 4.566 2.127 ( 3.257 2.192 -2.636) 4.729 2.211 ( 3.220 4.826 1.502) 5.993 2.275 ( 1.956 -0.421 2.028) 2.849 2.365 ( -2.112 -1.556 -3.884) 4.687 2.447 ( -1.171 1.727 3.756) 4.297 2.517 ( 2.682 -1.640 1.488) 3.478 2.547 ( 10.252 -1.269 12.287) 16.053 2.835 ( -1.997 -0.698 -4.223) 4.723 2.886 ( 1.732 1.480 5.108) 5.593 2.957 ( 0.191 -2.921 -3.003) 4.194 3.032 ( 3.136 -3.985 3.984) 6.449 3.301 ( -1.113 -0.768 -1.700) 2.173 3.316 ( -0.382 -0.719 0.324) 0.876 3.653 ( -2.848 1.189 -3.381) 4.578 3.686 ( -0.884 1.281 1.093) 1.902 3.720 ( -1.108 1.323 -2.308) 2.882 3.766 ( 1.118 0.428 2.762) 3.010 3.980 ( -1.685 0.550 -1.459) 2.296 4.019 ( 0.240 0.226 0.510) 0.607 4.465 ( -0.176 0.361 -1.620) 1.669 4.485 ( 0.958 -0.149 1.526) 1.808 4.705 ( -3.878 0.149 -3.629) 5.313 4.803 ( 2.141 -0.284 2.061) 2.985 5.204 ( -5.373 -0.015 -6.538) 8.463 5.381 ( 4.476 0.035 5.521) 7.107 5.855 ( -2.178 0.230 -2.902) 3.636 5.946 ( 2.900 0.219 3.627) 4.649 6.539 ( -0.533 -0.115 -0.462) 0.715 6.560 ( 0.705 -0.004 0.880) 1.127 6.813 ( -2.684 0.009 -3.265) 4.227 6.894 ( 1.962 0.086 2.195) 2.945 7.411 ( -1.140 0.456 -1.337) 1.815 7.444 ( 0.654 0.491 1.205) 1.456 7.671 ( -0.732 0.177 -0.842) 1.130 7.697 ( 0.773 0.161 0.763) 1.097 7.905 ( 0.036 0.100 -0.075) 0.130 7.906 ( 0.052 0.123 0.078) 0.154 16.410 ( -1.349 -0.004 0.545) 1.455 16.432 ( 0.068 0.340 -1.657) 1.693 17.136 ( -0.313 2.325 -1.127) 2.603 17.162 ( 0.983 2.090 1.200) 2.602 17.921 ( -1.107 -0.314 0.616) 1.305 17.940 ( 0.039 -0.446 -1.075) 1.164 19.001 ( 0.340 0.148 0.181) 0.412 19.030 ( 1.703 0.104 0.762) 1.869 19.175 ( -0.332 -0.096 -0.958) 1.019 19.234 ( 2.755 -0.337 1.188) 3.019 19.812 ( -4.517 0.552 -6.112) 7.620 19.919 ( 1.538 0.508 6.044) 6.257 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -2.897 -0.940 -5.607) 6.381 0.676 ( -1.144 -2.527 -4.371) 5.177 0.787 ( 5.480 -4.369 -3.579) 7.870 0.888 ( 2.246 -3.557 2.299) 4.794 1.045 ( -7.335 0.742 1.943) 7.624 1.118 ( -2.027 1.306 2.446) 3.435 1.166 ( 1.487 -0.328 -0.999) 1.821 1.319 ( -1.069 -4.069 -1.088) 4.345 1.397 ( -1.762 3.905 -1.355) 4.493 1.484 ( 1.160 0.432 -1.639) 2.054 1.599 ( -0.409 -3.017 -1.160) 3.258 1.661 ( -4.899 1.979 -1.580) 5.515 1.703 ( -7.062 0.073 -2.609) 7.529 1.808 ( -2.728 3.137 -0.355) 4.172 1.909 ( 2.443 -0.730 -3.168) 4.067 1.916 ( 3.024 2.099 1.048) 3.828 2.041 ( 1.532 2.169 1.029) 2.848 2.129 ( 2.178 4.435 -4.116) 6.431 2.221 ( -0.265 -1.887 -1.904) 2.693 2.277 ( 1.309 -1.622 2.178) 3.014 2.404 ( 0.233 -2.251 2.822) 3.617 2.429 ( -1.146 1.019 3.883) 4.175 2.573 ( 2.711 -1.262 1.837) 3.509 2.701 ( 9.063 0.357 10.055) 13.542 2.816 ( -0.278 -1.357 -3.170) 3.460 2.894 ( 1.375 2.097 5.417) 5.970 2.993 ( 1.002 -2.026 -2.025) 3.035 3.129 ( 2.382 -2.278 3.420) 4.750 3.291 ( -2.230 -0.718 -2.516) 3.438 3.325 ( -0.588 -0.777 -0.060) 0.976 3.595 ( -2.723 0.913 -2.971) 4.132 3.660 ( -1.049 0.919 -0.188) 1.407 3.675 ( -0.760 1.570 -1.858) 2.548 3.783 ( 1.532 0.352 2.922) 3.318 3.957 ( -1.133 0.073 -1.304) 1.728 4.019 ( -0.119 -0.046 -0.017) 0.129 4.449 ( -0.241 0.455 -1.232) 1.335 4.502 ( 0.915 -0.101 1.095) 1.431 4.652 ( -3.880 0.143 -3.835) 5.458 4.833 ( 1.575 -0.399 1.645) 2.312 5.141 ( -3.786 -0.124 -4.621) 5.975 5.434 ( 3.051 0.023 3.715) 4.807 5.825 ( -1.491 0.218 -1.969) 2.480 5.979 ( 2.264 0.129 2.735) 3.553 6.536 ( -0.296 -0.104 -0.266) 0.411 6.570 ( 0.796 0.045 0.945) 1.236 6.778 ( -2.324 -0.083 -2.850) 3.678 6.915 ( 1.304 0.003 1.506) 1.992 7.392 ( -0.782 0.271 -0.915) 1.233 7.446 ( 0.498 0.312 0.711) 0.922 7.659 ( -0.567 0.130 -0.646) 0.870 7.703 ( 0.547 0.117 0.554) 0.787 7.904 ( 0.036 0.057 -0.039) 0.078 7.904 ( 0.028 0.098 0.043) 0.110 16.405 ( -0.891 -0.276 -0.026) 0.933 16.422 ( 0.038 0.180 -1.043) 1.059 17.093 ( -0.238 1.715 -0.708) 1.871 17.142 ( 0.768 1.448 0.856) 1.849 17.922 ( -0.833 -0.327 0.632) 1.096 17.942 ( 0.068 -0.306 -1.026) 1.072 19.010 ( 0.823 -0.263 0.917) 1.260 19.043 ( 1.389 0.230 0.682) 1.564 19.161 ( -0.670 0.337 -1.814) 1.963 19.261 ( 1.522 -0.084 1.033) 1.841 19.750 ( -3.271 0.157 -3.813) 5.027 19.945 ( 1.200 0.421 3.787) 3.994 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -5.432 -0.218 -3.348) 6.384 0.662 ( -0.183 0.053 -3.590) 3.595 0.856 ( -3.914 1.441 -1.639) 4.482 0.930 ( 2.267 -1.232 0.607) 2.651 1.010 ( 0.066 -2.607 -1.096) 2.828 1.114 ( -1.549 -1.191 0.915) 2.157 1.182 ( 1.678 1.953 1.656) 3.061 1.339 ( 1.329 1.318 0.063) 1.873 1.365 ( -1.974 -3.065 -2.658) 4.512 1.486 ( 0.383 0.379 1.451) 1.548 1.563 ( -3.574 2.663 0.009) 4.457 1.630 ( 2.671 2.663 -1.731) 4.150 1.661 ( -3.598 -1.961 0.822) 4.179 1.784 ( 0.457 -2.334 -1.249) 2.686 1.905 ( 0.118 0.640 -1.645) 1.769 1.919 ( 3.171 0.608 3.054) 4.444 2.003 ( -2.064 1.266 -3.925) 4.612 2.102 ( 1.516 -0.663 -1.156) 2.018 2.190 ( -1.139 0.604 -2.340) 2.672 2.333 ( -0.281 0.806 2.638) 2.773 2.436 ( -0.157 -2.323 2.673) 3.544 2.458 ( 0.884 -1.317 0.271) 1.609 2.612 ( 2.327 0.533 2.903) 3.759 2.725 ( -0.197 0.864 -3.132) 3.255 2.870 ( 1.574 -0.272 5.186) 5.427 2.893 ( 2.473 1.902 4.360) 5.361 3.023 ( 1.735 -1.246 -1.263) 2.481 3.178 ( 1.729 0.074 3.126) 3.573 3.266 ( -3.031 -0.909 -3.932) 5.047 3.329 ( -0.696 -0.239 -0.065) 0.738 3.557 ( -1.356 0.235 -1.417) 1.975 3.642 ( -0.375 0.156 -0.524) 0.663 3.645 ( -0.266 0.530 -0.530) 0.796 3.805 ( 1.616 0.117 1.988) 2.565 3.945 ( -0.297 0.036 -0.870) 0.920 4.017 ( -0.274 -0.021 -0.254) 0.374 4.435 ( -0.315 0.378 -0.315) 0.584 4.512 ( 0.450 -0.005 0.487) 0.663 4.611 ( -2.157 -0.245 -2.411) 3.244 4.853 ( 0.663 -0.044 0.786) 1.029 5.104 ( -1.794 -0.021 -2.151) 2.801 5.465 ( 1.430 -0.053 1.652) 2.186 5.806 ( -0.700 0.101 -0.841) 1.099 6.003 ( 1.152 -0.032 1.316) 1.749 6.535 ( -0.090 0.015 -0.100) 0.136 6.579 ( 0.597 0.116 0.711) 0.936 6.753 ( -1.384 -0.053 -1.621) 2.132 6.929 ( 0.577 -0.043 0.656) 0.875 7.381 ( -0.341 0.068 -0.387) 0.520 7.448 ( 0.266 0.100 0.391) 0.483 7.652 ( -0.267 0.001 -0.323) 0.419 7.707 ( 0.242 0.007 0.265) 0.359 7.903 ( -0.023 0.040 0.043) 0.063 7.904 ( 0.023 -0.041 -0.040) 0.062 16.403 ( -0.411 -0.078 0.087) 0.428 16.414 ( 0.039 0.351 -0.495) 0.608 17.072 ( -0.365 0.205 -0.066) 0.424 17.138 ( 0.410 -0.169 0.215) 0.493 17.924 ( -0.411 -0.049 0.745) 0.852 17.941 ( 0.240 0.043 -0.959) 0.990 19.026 ( 0.344 -0.239 0.796) 0.900 19.050 ( 0.689 0.310 0.766) 1.076 19.141 ( -0.801 0.008 -1.826) 1.994 19.272 ( -0.036 -0.112 0.628) 0.639 19.715 ( -1.274 0.469 -1.261) 1.853 19.966 ( 1.332 -0.468 1.278) 1.905 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -6.534 1.068 2.283) 7.003 0.642 ( 0.895 3.050 -0.751) 3.266 0.729 ( -7.301 4.053 1.377) 8.463 0.936 ( 1.596 0.750 -1.825) 2.538 1.069 ( 3.131 5.715 0.715) 6.555 1.136 ( 0.685 -2.115 0.708) 2.333 1.161 ( 1.690 -1.652 0.127) 2.366 1.335 ( 2.184 1.203 -3.806) 4.550 1.382 ( -0.011 -2.631 -1.896) 3.243 1.438 ( -1.535 2.116 2.474) 3.599 1.578 ( -1.291 1.211 1.280) 2.185 1.620 ( 2.440 -3.509 3.309) 5.405 1.693 ( 3.185 -1.241 -0.013) 3.419 1.803 ( 1.245 -0.154 -0.884) 1.534 1.882 ( -0.675 1.004 -0.293) 1.245 1.960 ( -4.444 -1.276 -3.088) 5.560 2.023 ( 1.242 -7.213 4.477) 8.579 2.106 ( 1.029 0.388 -2.768) 2.979 2.186 ( 1.472 0.140 0.835) 1.698 2.293 ( -3.607 1.790 0.885) 4.122 2.461 ( 0.892 1.408 -2.204) 2.763 2.480 ( 0.324 -1.217 -1.877) 2.260 2.611 ( -0.376 2.083 0.449) 2.164 2.705 ( 0.083 -0.786 0.426) 0.898 2.858 ( -1.364 2.662 3.089) 4.300 2.898 ( -1.356 0.700 -0.071) 1.527 3.041 ( -0.167 -1.102 -3.627) 3.794 3.179 ( -1.341 1.723 -0.137) 2.188 3.253 ( 0.642 -0.849 -0.892) 1.389 3.323 ( -0.293 0.393 0.150) 0.513 3.553 ( 0.676 -0.247 0.976) 1.213 3.648 ( 0.091 -0.759 0.934) 1.207 3.650 ( 0.904 -0.833 0.463) 1.313 3.818 ( 0.787 0.118 -0.164) 0.812 3.942 ( 0.628 0.154 -0.098) 0.654 4.016 ( 0.047 0.029 0.113) 0.126 4.429 ( -0.360 0.194 0.784) 0.884 4.513 ( -0.169 0.081 -0.163) 0.249 4.608 ( 0.773 -0.715 0.294) 1.094 4.852 ( -0.350 0.447 -0.261) 0.625 5.092 ( 0.296 0.172 0.458) 0.572 5.474 ( -0.274 -0.131 -0.512) 0.595 5.802 ( 0.145 -0.054 0.364) 0.396 6.010 ( -0.221 -0.180 -0.400) 0.491 6.533 ( 0.092 0.146 0.056) 0.182 6.581 ( -0.049 0.146 0.038) 0.158 6.745 ( 0.189 0.062 0.331) 0.386 6.932 ( -0.171 -0.065 -0.249) 0.309 7.380 ( 0.134 -0.114 0.232) 0.291 7.450 ( 0.017 -0.123 0.189) 0.226 7.652 ( 0.096 -0.128 0.078) 0.178 7.709 ( -0.092 -0.102 -0.068) 0.153 7.903 ( -0.053 -0.038 0.045) 0.080 7.905 ( -0.011 -0.119 -0.047) 0.129 16.401 ( 0.175 0.302 0.443) 0.564 16.406 ( 0.068 0.526 0.284) 0.601 17.080 ( -0.515 -1.324 0.589) 1.538 17.156 ( 0.020 -1.747 -0.494) 1.816 17.922 ( -0.189 0.443 0.839) 0.967 17.937 ( 0.649 0.242 -0.796) 1.056 19.022 ( -0.958 0.367 -0.293) 1.067 19.051 ( -0.246 0.245 0.317) 0.470 19.140 ( -0.037 -0.885 -0.176) 0.903 19.272 ( -1.429 -0.437 0.040) 1.495 19.699 ( 0.755 1.095 1.337) 1.886 19.995 ( 1.338 -1.480 -1.331) 2.398 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -1.884 2.181 9.903) 10.314 0.505 ( -4.737 8.282 3.877) 10.298 0.715 ( 1.471 -0.854 2.478) 3.005 0.861 ( -2.877 6.394 -2.482) 7.438 0.994 ( 1.891 5.356 5.966) 8.238 1.159 ( -1.417 -1.233 -0.452) 1.932 1.193 ( 4.037 0.740 -2.182) 4.648 1.325 ( 2.135 -1.873 -5.164) 5.894 1.443 ( 3.329 -1.183 1.787) 3.959 1.482 ( 2.045 -5.205 2.903) 6.301 1.541 ( 3.227 2.824 -0.116) 4.290 1.703 ( 4.221 -0.321 0.576) 4.272 1.741 ( -1.817 -2.823 -0.785) 3.448 1.820 ( -1.904 0.733 3.953) 4.448 1.872 ( 2.061 -1.173 -0.935) 2.549 1.948 ( -2.165 -2.213 -0.978) 3.246 2.094 ( -0.347 -0.286 -0.191) 0.488 2.134 ( -2.791 -0.578 -0.947) 3.004 2.222 ( 0.610 -5.981 2.986) 6.713 2.264 ( -0.977 -0.457 0.043) 1.079 2.390 ( 0.765 5.296 -5.158) 7.433 2.471 ( -1.718 0.551 -0.324) 1.834 2.553 ( -1.329 2.741 -1.901) 3.590 2.745 ( -1.163 -1.946 1.501) 2.719 2.787 ( -5.393 0.821 -5.521) 7.761 2.867 ( -0.010 2.800 3.370) 4.382 3.017 ( -2.971 -0.383 -6.403) 7.069 3.105 ( -3.764 2.743 -3.510) 5.832 3.276 ( 1.500 -0.090 0.668) 1.644 3.319 ( 1.139 0.460 0.152) 1.237 3.585 ( 2.476 -0.644 3.307) 4.181 3.676 ( 0.195 -1.323 1.921) 2.341 3.688 ( 2.432 -1.546 1.235) 3.135 3.813 ( 0.111 0.259 -1.757) 1.779 3.951 ( 1.123 -0.186 1.120) 1.597 4.019 ( 0.449 -0.091 0.385) 0.598 4.431 ( -0.259 -0.016 1.756) 1.776 4.506 ( -0.552 0.174 -0.722) 0.925 4.645 ( 3.084 -0.771 2.381) 3.972 4.832 ( -1.109 0.594 -1.068) 1.650 5.109 ( 2.572 0.199 3.207) 4.115 5.460 ( -1.977 -0.129 -2.652) 3.311 5.813 ( 0.947 -0.120 1.507) 1.784 6.002 ( -1.520 -0.326 -2.017) 2.547 6.532 ( 0.286 0.180 0.251) 0.421 6.574 ( -0.614 0.117 -0.513) 0.809 6.758 ( 1.858 0.010 2.215) 2.891 6.926 ( -0.898 -0.076 -1.127) 1.443 7.389 ( 0.594 -0.238 0.893) 1.099 7.456 ( -0.045 -0.542 -0.017) 0.544 7.658 ( 0.404 -0.183 0.454) 0.635 7.708 ( -0.396 -0.147 -0.393) 0.577 7.904 ( -0.051 -0.085 0.061) 0.117 7.907 ( -0.037 -0.139 -0.068) 0.159 16.402 ( -0.196 0.365 1.413) 1.472 16.408 ( 1.887 -0.073 0.803) 2.052 17.110 ( -0.445 -1.969 1.234) 2.366 17.187 ( -0.321 -2.295 -1.124) 2.576 17.917 ( 0.057 0.590 1.095) 1.245 17.935 ( 1.004 0.293 -0.669) 1.241 19.006 ( -1.147 0.193 -0.279) 1.196 19.041 ( -1.010 0.168 -0.269) 1.059 19.158 ( 0.191 -0.758 0.515) 0.936 19.261 ( -2.931 -0.419 -1.348) 3.253 19.709 ( 2.532 0.844 4.387) 5.135 20.017 ( 0.517 -1.576 -4.026) 4.355 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -2.211 4.751 9.135) 10.532 0.472 ( 1.695 2.624 12.308) 12.698 0.721 ( 0.385 2.564 -2.698) 3.742 0.763 ( 0.435 0.055 -0.474) 0.646 0.950 ( 1.805 5.228 11.412) 12.682 1.150 ( -0.180 0.063 -2.059) 2.067 1.244 ( 2.147 -3.594 1.666) 4.506 1.358 ( 2.727 -1.105 -2.595) 3.923 1.488 ( 0.759 -1.264 0.022) 1.475 1.540 ( 4.795 1.477 1.668) 5.287 1.583 ( 0.085 -3.494 -5.213) 6.277 1.717 ( -0.149 1.342 2.941) 3.236 1.738 ( 0.595 2.488 -0.964) 2.734 1.821 ( 1.147 -2.736 2.142) 3.659 1.864 ( -0.671 1.134 -3.460) 3.703 2.022 ( 3.903 -2.277 1.681) 4.821 2.053 ( -2.968 1.496 -1.191) 3.530 2.146 ( -1.408 -2.852 2.281) 3.914 2.257 ( -0.767 1.437 0.513) 1.708 2.277 ( -0.943 3.285 -2.449) 4.204 2.346 ( -0.929 -5.400 1.063) 5.581 2.450 ( -2.280 0.300 1.562) 2.780 2.486 ( -0.248 3.066 -0.499) 3.116 2.654 ( -10.541 -0.625 -13.599) 17.218 2.802 ( 1.641 -0.871 2.848) 3.400 2.842 ( 1.249 2.729 4.487) 5.398 2.943 ( -4.454 1.852 -4.593) 6.661 3.020 ( -3.105 1.108 -5.326) 6.264 3.286 ( 1.037 0.141 0.256) 1.077 3.320 ( 0.766 0.363 -0.856) 1.204 3.637 ( 2.730 -0.529 4.136) 4.984 3.706 ( 0.139 -0.688 2.332) 2.435 3.741 ( 2.159 -1.785 -0.987) 2.970 3.795 ( -0.122 0.647 -2.298) 2.390 3.981 ( 1.583 -0.950 2.086) 2.785 4.028 ( 0.318 -0.264 0.132) 0.434 4.441 ( -0.040 -0.079 2.279) 2.280 4.494 ( -0.448 0.153 -0.965) 1.075 4.695 ( 3.620 -0.280 2.832) 4.605 4.808 ( -1.492 0.215 -1.590) 2.191 5.158 ( 4.651 0.087 5.706) 7.362 5.422 ( -3.494 -0.090 -4.603) 5.779 5.836 ( 1.742 -0.098 2.550) 3.090 5.978 ( -2.598 -0.327 -3.386) 4.280 6.535 ( 0.472 0.097 0.484) 0.683 6.564 ( -0.731 0.029 -0.640) 0.972 6.793 ( 2.923 -0.202 2.927) 4.141 6.910 ( -1.581 -0.062 -1.897) 2.471 7.405 ( 0.942 -0.232 1.510) 1.795 7.466 ( -0.236 -0.798 -0.981) 1.286 7.668 ( 0.611 -0.121 0.725) 0.956 7.704 ( -0.625 -0.105 -0.669) 0.922 7.905 ( -0.022 -0.068 0.084) 0.111 7.908 ( -0.040 -0.091 -0.092) 0.135 16.405 ( -0.202 0.119 2.134) 2.146 16.443 ( 3.027 -1.103 -0.524) 3.264 17.147 ( 0.100 -1.462 1.859) 2.367 17.211 ( -0.547 -1.559 -1.568) 2.278 17.917 ( 0.333 0.211 1.190) 1.253 17.936 ( 1.010 0.220 -0.715) 1.257 19.000 ( -0.413 -0.197 0.301) 0.548 19.028 ( -1.303 0.078 -0.519) 1.405 19.170 ( 0.356 -0.198 0.209) 0.458 19.225 ( -3.738 0.330 -2.028) 4.265 19.753 ( 3.257 0.122 6.941) 7.668 20.010 ( -1.151 -0.799 -6.215) 6.371 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 3.472 0.000 -6.388) 7.271 0.580 ( 8.283 0.000 3.725) 9.082 0.646 ( -3.215 -0.000 -3.974) 5.111 0.743 ( 0.657 0.000 1.998) 2.103 1.080 ( -0.711 -0.000 -11.020) 11.043 1.120 ( -2.473 -0.000 0.319) 2.494 1.318 ( -3.341 -0.000 0.432) 3.369 1.325 ( -0.854 -0.000 -3.197) 3.309 1.489 ( 1.618 0.000 10.307) 10.433 1.499 ( -2.890 -0.000 -2.507) 3.826 1.511 ( -4.881 -0.000 -3.299) 5.891 1.676 ( 0.633 0.000 2.033) 2.129 1.763 ( -2.905 -0.000 -4.639) 5.473 1.822 ( 2.703 0.000 2.207) 3.490 1.881 ( -2.617 -0.000 -3.595) 4.446 1.955 ( -1.964 -0.000 4.454) 4.867 2.067 ( -3.246 -0.000 -3.110) 4.495 2.214 ( 1.322 0.000 -2.955) 3.237 2.254 ( 2.321 0.000 1.100) 2.568 2.317 ( 4.537 0.000 -1.486) 4.774 2.414 ( 1.769 0.000 -1.286) 2.187 2.460 ( -0.164 -0.000 -0.692) 0.711 2.463 ( 1.006 0.000 1.809) 2.070 2.540 ( 11.120 0.000 15.282) 18.900 2.799 ( -3.521 -0.000 -1.188) 3.716 2.895 ( 0.340 0.000 -4.989) 5.001 2.910 ( 3.523 0.000 2.327) 4.222 2.947 ( 2.661 0.000 6.750) 7.255 3.286 ( -0.790 -0.000 -1.261) 1.488 3.302 ( -0.449 -0.000 0.185) 0.485 3.676 ( -3.411 -0.000 -4.130) 5.357 3.714 ( -1.614 -0.000 2.097) 2.646 3.741 ( -0.299 -0.000 -1.991) 2.014 3.765 ( 0.665 0.000 1.813) 1.931 3.999 ( -1.930 -0.000 -1.412) 2.391 4.026 ( -0.518 -0.000 0.341) 0.620 4.473 ( 0.348 0.000 -1.742) 1.776 4.480 ( 0.696 0.000 1.515) 1.667 4.709 ( -3.745 -0.000 -3.178) 4.912 4.798 ( 1.836 0.000 1.584) 2.425 5.205 ( -5.500 -0.000 -6.812) 8.755 5.382 ( 4.434 0.000 5.674) 7.201 5.860 ( -2.164 -0.000 -2.991) 3.692 5.951 ( 2.865 0.000 3.863) 4.810 6.536 ( -0.667 -0.000 -0.542) 0.859 6.559 ( 0.679 0.000 0.878) 1.110 6.814 ( -2.777 -0.000 -3.216) 4.249 6.897 ( 1.941 0.000 2.046) 2.820 7.422 ( -1.374 -0.000 -1.686) 2.175 7.455 ( 0.406 0.000 1.570) 1.622 7.675 ( -0.690 -0.000 -0.832) 1.081 7.701 ( 0.804 0.000 0.746) 1.097 7.908 ( 0.041 0.000 -0.100) 0.108 7.908 ( 0.079 0.000 0.102) 0.129 16.413 ( -2.191 -0.000 1.325) 2.561 16.441 ( -0.227 -0.000 -2.849) 2.858 17.187 ( 0.017 0.000 -1.904) 1.904 17.207 ( 0.811 0.000 1.804) 1.978 17.915 ( -1.315 -0.000 0.498) 1.406 17.929 ( -0.271 -0.000 -1.124) 1.156 19.009 ( 0.678 0.000 0.054) 0.680 19.031 ( 1.623 0.000 0.771) 1.797 19.173 ( 0.791 0.000 0.018) 0.791 19.227 ( 3.577 0.000 1.239) 3.786 19.823 ( -5.045 -0.000 -7.518) 9.054 19.927 ( 0.844 0.000 7.396) 7.444 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 4.750 -3.620 -6.731) 8.998 0.571 ( 0.409 -0.274 -9.688) 9.700 0.720 ( 5.152 -1.549 6.831) 8.695 0.758 ( 0.530 -2.247 0.417) 2.346 1.041 ( -0.482 -1.441 -10.031) 10.145 1.106 ( -2.427 -0.938 1.205) 2.867 1.239 ( -0.812 3.478 -2.814) 4.547 1.292 ( -2.540 2.789 2.550) 4.553 1.447 ( -5.791 -0.928 -4.069) 7.139 1.465 ( -4.432 -1.380 0.221) 4.647 1.568 ( 2.290 1.073 2.700) 3.699 1.660 ( -8.932 -0.168 -4.364) 9.943 1.725 ( 0.655 -0.866 3.107) 3.291 1.845 ( 0.251 0.106 1.550) 1.573 1.861 ( 2.468 0.512 0.599) 2.591 1.994 ( -0.821 0.691 1.847) 2.136 2.060 ( 0.833 -3.621 1.617) 4.053 2.212 ( 2.440 2.402 -4.966) 6.032 2.271 ( 0.376 0.045 -0.564) 0.680 2.296 ( 2.980 0.526 0.257) 3.037 2.376 ( 1.403 5.474 -1.371) 5.815 2.467 ( -0.576 0.176 1.106) 1.259 2.496 ( 1.548 -2.529 0.752) 3.059 2.706 ( 11.218 0.125 13.607) 17.635 2.777 ( -3.368 -1.072 -2.219) 4.173 2.890 ( 1.104 -1.518 -4.630) 4.996 2.964 ( 3.705 -0.091 5.037) 6.253 3.019 ( 2.963 -2.557 5.599) 6.832 3.277 ( -0.765 -0.088 -1.000) 1.263 3.299 ( -1.196 -0.580 -0.137) 1.336 3.623 ( -3.415 0.518 -3.856) 5.177 3.695 ( -2.432 0.806 0.326) 2.583 3.723 ( -0.173 0.824 -1.984) 2.155 3.781 ( 0.142 -0.357 1.676) 1.719 3.970 ( -1.763 0.614 -1.536) 2.417 4.019 ( -0.923 0.034 -0.174) 0.940 4.464 ( 0.478 0.383 -1.780) 1.882 4.495 ( 0.837 -0.248 1.092) 1.398 4.662 ( -3.809 0.214 -2.901) 4.793 4.819 ( 1.426 -0.272 1.168) 1.863 5.137 ( -3.909 -0.062 -4.908) 6.275 5.435 ( 3.040 0.038 3.899) 4.944 5.832 ( -1.420 0.140 -2.141) 2.573 5.986 ( 2.060 0.193 2.913) 3.573 6.531 ( -0.483 -0.134 -0.362) 0.618 6.569 ( 0.686 -0.039 0.785) 1.043 6.778 ( -2.353 0.034 -2.893) 3.729 6.917 ( 1.307 0.078 1.474) 1.972 7.402 ( -1.019 0.242 -1.225) 1.612 7.459 ( 0.055 0.362 0.795) 0.876 7.665 ( -0.552 0.140 -0.631) 0.850 7.708 ( 0.600 0.120 0.519) 0.802 7.907 ( 0.067 0.075 -0.081) 0.130 7.909 ( 0.081 0.098 0.087) 0.154 16.397 ( -2.212 -0.039 0.070) 2.213 16.425 ( -0.095 0.057 -2.162) 2.164 17.166 ( 0.462 1.640 -1.437) 2.229 17.207 ( 0.617 1.496 1.358) 2.113 17.909 ( -1.388 -0.252 0.601) 1.533 17.925 ( -0.249 -0.469 -1.190) 1.304 19.015 ( 1.441 0.389 0.364) 1.537 19.046 ( 1.466 -0.006 0.360) 1.509 19.181 ( 1.465 0.460 -0.029) 1.536 19.263 ( 3.180 0.079 1.775) 3.643 19.748 ( -4.695 -0.021 -6.115) 7.710 19.959 ( -0.560 0.231 5.643) 5.675 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.347 0.099 -3.824) 4.056 0.608 ( 3.891 -3.235 -2.837) 5.801 0.753 ( 3.208 -3.083 -2.879) 5.300 0.868 ( 1.958 -2.796 3.737) 5.062 1.004 ( -3.264 -0.410 -2.396) 4.069 1.127 ( -1.529 -1.919 -0.068) 2.454 1.198 ( 3.557 2.190 -0.624) 4.224 1.243 ( -3.064 0.169 2.864) 4.197 1.390 ( -5.363 0.376 -2.664) 6.000 1.485 ( -0.946 -1.304 -2.832) 3.258 1.525 ( -0.036 -1.680 -1.354) 2.158 1.624 ( -3.586 0.673 3.240) 4.879 1.730 ( -0.471 2.933 2.860) 4.123 1.820 ( -3.233 1.775 -0.651) 3.745 1.893 ( 2.031 -1.747 -1.537) 3.089 1.973 ( 2.221 1.744 0.334) 2.843 2.135 ( 2.988 3.272 -1.858) 4.805 2.153 ( 1.039 -1.681 1.629) 2.561 2.218 ( -3.995 4.530 -5.804) 8.377 2.301 ( 3.655 2.419 2.033) 4.831 2.362 ( 1.420 -3.772 1.116) 4.182 2.458 ( -1.528 0.899 2.510) 3.073 2.563 ( 1.525 -2.695 1.998) 3.685 2.747 ( -2.787 0.004 -3.903) 4.796 2.832 ( 6.370 -0.520 6.907) 9.411 2.910 ( 0.949 -1.806 -3.347) 3.920 3.008 ( 2.378 0.667 4.673) 5.285 3.122 ( 2.840 -3.115 4.335) 6.047 3.256 ( -2.162 0.317 -1.505) 2.653 3.309 ( 0.038 -0.870 0.451) 0.980 3.575 ( -1.981 0.612 -2.405) 3.175 3.662 ( -1.683 0.811 -0.521) 1.939 3.691 ( -0.166 1.587 -1.836) 2.432 3.795 ( -0.522 -0.627 1.085) 1.357 3.944 ( -0.872 0.183 -1.086) 1.404 4.013 ( -0.747 -0.210 -0.233) 0.810 4.452 ( 0.519 0.557 -1.376) 1.572 4.509 ( 0.615 -0.195 0.558) 0.853 4.618 ( -2.477 0.472 -1.501) 2.934 4.841 ( 0.901 -0.516 0.723) 1.265 5.100 ( -1.640 -0.167 -2.192) 2.743 5.466 ( 1.377 0.092 1.855) 2.312 5.812 ( -0.637 0.212 -1.130) 1.314 6.006 ( 0.934 0.176 1.404) 1.695 6.530 ( -0.252 -0.235 -0.167) 0.383 6.578 ( 0.400 -0.104 0.371) 0.555 6.752 ( -1.142 -0.012 -1.551) 1.927 6.929 ( 0.619 0.074 0.751) 0.976 7.387 ( -0.505 0.241 -0.637) 0.848 7.455 ( -0.006 0.310 0.131) 0.336 7.656 ( -0.305 0.185 -0.332) 0.487 7.711 ( 0.309 0.177 0.235) 0.427 7.906 ( 0.075 0.103 -0.056) 0.140 7.907 ( 0.053 0.158 0.062) 0.178 16.389 ( -1.088 -0.577 -0.155) 1.241 16.418 ( 0.178 -0.083 -1.375) 1.389 17.128 ( 0.553 2.429 -0.765) 2.606 17.184 ( 0.337 2.173 0.751) 2.324 17.910 ( -1.022 -0.580 0.758) 1.398 17.928 ( -0.038 -0.644 -1.029) 1.214 19.024 ( 1.635 0.291 0.703) 1.803 19.056 ( 0.869 0.046 -0.111) 0.877 19.174 ( 1.201 1.431 -0.654) 1.979 19.284 ( 1.550 0.627 1.307) 2.122 19.701 ( -2.741 -0.818 -3.353) 4.407 19.967 ( -1.392 0.255 3.063) 3.374 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.376 1.694 2.417) 2.976 0.646 ( 1.978 -0.743 -0.659) 2.213 0.876 ( 8.142 -1.838 -0.577) 8.367 0.902 ( -0.855 -2.496 1.363) 2.970 0.979 ( -3.275 -0.073 2.334) 4.022 1.124 ( -0.043 0.560 1.186) 1.312 1.202 ( 1.143 -0.201 -2.461) 2.721 1.282 ( 0.432 -2.872 2.634) 3.921 1.345 ( -2.517 -0.277 0.813) 2.660 1.488 ( 1.180 -1.320 -1.620) 2.400 1.571 ( -2.459 -0.133 -0.713) 2.563 1.636 ( -0.216 2.493 -2.049) 3.235 1.649 ( 0.977 -2.309 3.798) 4.551 1.772 ( -1.145 1.893 1.190) 2.512 1.906 ( 0.341 0.024 -2.924) 2.944 1.966 ( 0.847 1.115 1.845) 2.316 2.043 ( -2.638 6.942 -5.402) 9.183 2.127 ( 4.568 1.604 0.129) 4.843 2.184 ( 0.749 -0.756 -0.838) 1.354 2.331 ( 0.180 -1.107 0.892) 1.433 2.432 ( -0.032 -2.212 2.211) 3.128 2.440 ( -1.356 0.598 2.630) 3.019 2.616 ( -0.346 -1.757 0.090) 1.793 2.704 ( -1.783 0.265 -3.326) 3.783 2.888 ( -0.092 -0.821 0.382) 0.910 2.919 ( 0.027 -0.331 -2.710) 2.730 3.019 ( -0.307 0.386 0.305) 0.580 3.181 ( -1.598 -1.605 -1.103) 2.519 3.247 ( 2.388 0.467 3.465) 4.234 3.326 ( 0.496 -0.275 1.043) 1.188 3.554 ( 0.307 0.291 0.043) 0.425 3.642 ( -0.426 0.280 -0.114) 0.522 3.656 ( 0.034 1.286 -1.057) 1.665 3.802 ( -1.363 -0.893 -0.633) 1.749 3.940 ( 0.226 -0.247 -0.229) 0.406 4.012 ( -0.349 -0.250 0.126) 0.448 4.442 ( 0.477 0.530 -0.539) 0.894 4.515 ( 0.006 -0.021 -0.155) 0.156 4.600 ( 0.312 0.278 1.135) 1.210 4.854 ( 0.008 -0.315 -0.099) 0.330 5.094 ( 0.595 -0.072 0.541) 0.807 5.472 ( -0.394 0.048 -0.329) 0.515 5.804 ( 0.201 0.168 0.014) 0.262 6.009 ( -0.384 0.068 -0.296) 0.489 6.532 ( -0.045 -0.200 0.000) 0.205 6.581 ( -0.301 -0.140 -0.423) 0.537 6.747 ( 0.535 0.048 0.534) 0.758 6.932 ( -0.114 0.053 -0.100) 0.160 7.380 ( 0.015 0.122 -0.019) 0.125 7.451 ( -0.162 0.125 -0.217) 0.298 7.652 ( 0.055 0.113 0.066) 0.142 7.710 ( -0.027 0.140 -0.090) 0.169 7.904 ( 0.056 0.072 -0.035) 0.097 7.905 ( 0.011 0.144 0.039) 0.149 16.395 ( -0.265 -0.632 0.308) 0.751 16.416 ( 0.324 -0.014 -0.691) 0.764 17.091 ( 0.392 1.934 -0.076) 1.975 17.153 ( -0.033 1.576 0.039) 1.577 17.918 ( -0.580 -0.615 0.897) 1.232 17.934 ( 0.215 -0.456 -0.845) 0.984 19.033 ( 0.634 0.258 0.330) 0.760 19.057 ( 0.080 0.130 -0.533) 0.555 19.152 ( 1.190 1.561 -0.258) 1.979 19.282 ( 0.109 0.841 0.572) 1.023 19.698 ( -0.324 -1.116 -0.341) 1.211 19.963 ( -1.492 -0.309 0.287) 1.550 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.403 2.181 8.062) 8.362 0.679 ( 3.410 -0.438 1.064) 3.599 0.812 ( -2.886 8.072 3.111) 9.119 0.930 ( 1.246 -1.125 -0.591) 1.779 1.103 ( 7.456 -5.175 0.936) 9.124 1.135 ( 0.752 -0.370 1.419) 1.648 1.165 ( -1.762 2.118 -3.455) 4.419 1.319 ( -0.360 -1.915 -0.680) 2.064 1.374 ( 1.305 0.505 2.785) 3.116 1.474 ( -1.791 1.697 -0.013) 2.468 1.546 ( -2.086 -1.077 3.926) 4.575 1.623 ( 1.781 -2.476 -0.413) 3.078 1.740 ( 4.622 1.943 2.753) 5.719 1.792 ( 2.698 -5.361 -0.535) 6.025 1.882 ( -2.669 0.312 -0.937) 2.846 1.905 ( -1.456 3.807 -3.406) 5.312 1.976 ( 0.450 -1.278 2.434) 2.786 2.125 ( 3.044 1.809 -2.387) 4.270 2.214 ( 3.166 0.153 2.131) 3.819 2.301 ( -4.977 1.971 0.191) 5.357 2.447 ( -0.265 -1.238 0.079) 1.269 2.464 ( 0.020 -0.391 -0.740) 0.837 2.602 ( -3.024 -0.201 -5.166) 5.990 2.693 ( -1.759 -0.697 0.928) 2.108 2.834 ( -7.653 0.769 -6.279) 9.929 2.921 ( 1.239 -0.018 -0.415) 1.307 3.004 ( -0.496 0.362 -1.749) 1.853 3.166 ( -2.675 0.217 -1.860) 3.265 3.284 ( 3.205 0.580 3.342) 4.667 3.335 ( 0.621 0.354 1.045) 1.267 3.568 ( 1.879 -0.190 2.084) 2.813 3.645 ( 0.367 -0.072 0.471) 0.602 3.648 ( 0.839 -0.655 0.582) 1.213 3.796 ( -2.042 -1.000 -2.563) 3.426 3.950 ( 1.078 -0.161 0.568) 1.229 4.016 ( -0.119 -0.196 0.296) 0.375 4.437 ( 0.424 0.375 0.538) 0.781 4.510 ( -0.601 0.057 -0.758) 0.970 4.625 ( 2.941 -0.186 3.466) 4.549 4.848 ( -1.005 0.167 -1.155) 1.540 5.116 ( 2.668 0.136 3.093) 4.087 5.456 ( -2.089 -0.062 -2.475) 3.239 5.811 ( 1.048 0.029 1.214) 1.604 5.995 ( -1.676 -0.068 -1.942) 2.566 6.535 ( 0.135 -0.066 0.159) 0.218 6.575 ( -0.779 -0.111 -0.888) 1.187 6.762 ( 1.888 0.150 2.210) 2.910 6.925 ( -0.851 0.031 -1.000) 1.313 7.383 ( 0.476 -0.058 0.580) 0.752 7.446 ( -0.428 -0.078 -0.462) 0.634 7.654 ( 0.410 -0.016 0.456) 0.613 7.705 ( -0.354 0.029 -0.416) 0.547 7.903 ( -0.024 0.067 0.042) 0.083 7.904 ( 0.025 -0.006 -0.042) 0.049 16.405 ( 0.102 -0.273 0.686) 0.746 16.415 ( 0.428 0.179 -0.098) 0.475 17.074 ( 0.212 0.429 0.632) 0.793 17.136 ( -0.372 -0.033 -0.701) 0.794 17.927 ( -0.326 -0.226 0.928) 1.009 17.939 ( 0.557 -0.170 -0.656) 0.877 19.024 ( -0.661 0.662 -0.419) 1.025 19.047 ( -0.772 0.206 -1.205) 1.446 19.149 ( 1.910 0.568 1.342) 2.402 19.266 ( -1.075 0.736 -0.033) 1.303 19.722 ( 1.563 -0.493 2.153) 2.706 19.961 ( -1.422 -1.305 -2.242) 2.958 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 2.791 1.943 10.428) 10.968 0.658 ( -0.085 8.945 4.940) 10.218 0.723 ( 1.985 -0.636 0.500) 2.143 0.897 ( -1.592 4.362 -6.398) 7.905 1.106 ( -0.257 1.399 2.782) 3.125 1.153 ( 0.156 0.429 1.797) 1.854 1.197 ( 5.160 -1.151 -3.496) 6.339 1.316 ( -2.324 1.387 -2.357) 3.589 1.412 ( 2.344 -3.955 2.465) 5.217 1.457 ( -0.145 -0.426 0.864) 0.974 1.605 ( 3.140 -0.765 4.109) 5.227 1.681 ( -0.083 -2.655 1.755) 3.183 1.779 ( 5.341 0.228 6.328) 8.284 1.844 ( -1.909 1.100 2.410) 3.266 1.857 ( -0.687 -0.502 -2.877) 3.000 1.896 ( 4.622 -2.818 0.583) 5.444 2.059 ( 1.161 -4.854 -1.003) 5.091 2.104 ( 1.651 0.273 -1.093) 1.999 2.166 ( -5.656 3.576 -0.767) 6.736 2.279 ( 0.909 -0.099 1.598) 1.842 2.428 ( -1.284 2.334 -4.544) 5.267 2.456 ( -1.398 -0.459 -0.067) 1.472 2.549 ( -3.201 0.060 -5.278) 6.173 2.646 ( -8.633 0.167 -9.806) 13.066 2.770 ( -1.673 -0.296 3.871) 4.228 2.923 ( 0.390 0.248 -1.292) 1.372 2.981 ( 0.550 1.742 -0.664) 1.944 3.109 ( -3.193 2.440 -2.401) 4.681 3.303 ( 1.588 0.832 1.679) 2.456 3.336 ( 0.764 0.521 0.068) 0.927 3.608 ( 2.368 -0.887 3.165) 4.051 3.666 ( 0.462 -1.196 1.349) 1.861 3.681 ( 1.546 -1.548 0.930) 2.377 3.784 ( -1.972 -1.123 -3.208) 3.929 3.966 ( 1.323 -0.009 1.307) 1.860 4.018 ( -0.238 -0.233 -0.197) 0.386 4.441 ( 0.475 0.156 1.550) 1.629 4.498 ( -0.810 0.029 -1.125) 1.387 4.679 ( 3.902 -0.440 4.020) 5.620 4.823 ( -1.843 0.475 -2.052) 2.798 5.163 ( 4.565 0.177 5.383) 7.060 5.417 ( -3.661 -0.132 -4.477) 5.785 5.832 ( 1.813 -0.092 2.330) 2.954 5.967 ( -2.602 -0.217 -3.137) 4.081 6.538 ( 0.318 0.048 0.353) 0.478 6.565 ( -0.822 -0.034 -0.852) 1.184 6.791 ( 2.611 0.101 3.043) 4.011 6.908 ( -1.544 -0.003 -1.860) 2.417 7.395 ( 0.832 -0.259 1.113) 1.414 7.443 ( -0.658 -0.394 -0.697) 1.037 7.663 ( 0.661 -0.127 0.744) 1.004 7.699 ( -0.611 -0.090 -0.690) 0.926 7.903 ( -0.025 -0.031 0.059) 0.072 7.905 ( -0.002 -0.083 -0.063) 0.104 16.411 ( -0.118 0.134 1.047) 1.062 16.420 ( 1.054 -0.187 0.180) 1.086 17.087 ( 0.215 -1.200 1.362) 1.828 17.142 ( -0.564 -1.641 -1.368) 2.209 17.929 ( -0.263 0.240 0.975) 1.038 17.942 ( 0.833 0.035 -0.587) 1.020 19.005 ( -0.523 0.545 -0.217) 0.786 19.030 ( -1.170 0.087 -1.193) 1.674 19.167 ( 1.922 0.146 1.481) 2.431 19.239 ( -2.076 0.694 -0.748) 2.313 19.760 ( 2.766 -0.006 4.598) 5.366 19.959 ( -1.873 -1.837 -4.567) 5.267 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.654 6.410 9.660) 11.612 0.606 ( 3.118 4.392 7.475) 9.214 0.734 ( 2.075 0.558 -5.396) 5.809 0.757 ( -2.111 2.967 -6.323) 7.297 1.113 ( 2.911 2.968 6.843) 8.007 1.148 ( 0.102 0.254 1.368) 1.395 1.225 ( 1.899 -0.460 0.280) 1.974 1.286 ( -3.435 -3.093 -5.011) 6.818 1.460 ( -0.909 -1.345 1.288) 2.073 1.508 ( 0.961 -2.627 -2.937) 4.056 1.653 ( 7.495 1.541 3.711) 8.504 1.694 ( -5.514 -0.492 0.078) 5.537 1.802 ( 0.681 2.005 0.849) 2.281 1.818 ( -1.826 1.816 -1.003) 2.764 1.913 ( 7.523 -0.759 9.018) 11.768 2.028 ( 2.738 -0.918 0.303) 2.904 2.038 ( -0.382 -1.755 -0.004) 1.796 2.071 ( -2.171 -1.939 -2.664) 3.946 2.205 ( 0.703 -5.227 -0.894) 5.350 2.259 ( -3.678 0.571 -4.297) 5.685 2.365 ( 0.989 2.523 1.845) 3.278 2.445 ( -2.497 0.175 2.640) 3.638 2.498 ( -5.682 -0.790 -9.139) 10.790 2.522 ( -1.750 2.530 -4.885) 5.773 2.810 ( 0.635 -1.444 5.144) 5.381 2.904 ( -1.170 0.330 -3.220) 3.442 2.947 ( 1.883 3.829 2.428) 4.910 3.017 ( -2.713 3.391 -3.519) 5.590 3.304 ( 0.880 0.699 0.928) 1.457 3.326 ( -0.031 0.681 -1.168) 1.352 3.658 ( 1.638 -1.091 3.195) 3.752 3.697 ( -0.117 -1.518 0.365) 1.565 3.723 ( 1.127 -1.282 0.866) 1.914 3.772 ( -1.503 -0.912 -3.166) 3.621 3.988 ( 1.046 -0.540 2.063) 2.375 4.018 ( -0.477 -0.451 -0.964) 1.166 4.454 ( 0.571 0.027 2.086) 2.162 4.486 ( -0.544 -0.029 -1.321) 1.429 4.733 ( 3.393 -0.268 3.180) 4.658 4.787 ( -2.422 0.279 -2.568) 3.540 5.232 ( 5.690 0.062 6.806) 8.871 5.359 ( -4.990 -0.146 -6.153) 7.923 5.865 ( 2.496 -0.155 3.251) 4.102 5.932 ( -2.982 -0.285 -3.700) 4.761 6.543 ( 0.501 0.066 0.591) 0.778 6.555 ( -0.741 0.015 -0.705) 1.022 6.828 ( 2.816 -0.108 3.101) 4.190 6.883 ( -2.145 -0.048 -2.577) 3.353 7.415 ( 1.004 -0.411 1.534) 1.879 7.442 ( -0.932 -0.699 -1.158) 1.642 7.675 ( 0.800 -0.161 0.895) 1.211 7.692 ( -0.752 -0.146 -0.871) 1.160 7.904 ( 0.005 -0.094 0.083) 0.126 7.906 ( -0.007 -0.113 -0.087) 0.143 16.413 ( -0.424 0.065 1.535) 1.594 16.438 ( 1.160 -0.835 -0.778) 1.628 17.128 ( 0.488 -2.056 1.964) 2.885 17.164 ( -0.532 -2.237 -1.820) 2.932 17.926 ( -0.419 0.272 0.971) 1.092 17.943 ( 0.749 0.246 -0.782) 1.111 19.000 ( 0.298 -0.019 0.552) 0.628 19.015 ( -0.897 0.017 -0.952) 1.309 19.183 ( 1.694 0.378 0.994) 2.000 19.205 ( -1.872 0.697 -1.136) 2.298 19.813 ( 2.985 -0.154 6.787) 7.416 19.942 ( -2.977 -1.384 -6.537) 7.315 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 6.100 0.000 -7.641) 9.778 0.563 ( 7.684 0.000 -3.482) 8.436 0.707 ( -3.463 -0.000 -2.627) 4.347 0.797 ( 6.527 0.000 5.222) 8.359 0.984 ( 2.263 0.000 -11.502) 11.723 1.068 ( -5.095 -0.000 -0.041) 5.095 1.287 ( -2.851 -0.000 -3.114) 4.222 1.292 ( 1.443 0.000 4.266) 4.503 1.378 ( -4.122 -0.000 0.108) 4.124 1.421 ( -2.220 -0.000 0.908) 2.398 1.583 ( -5.814 -0.000 -3.191) 6.632 1.618 ( -0.761 -0.000 6.387) 6.432 1.754 ( 2.842 0.000 5.159) 5.890 1.849 ( -1.555 -0.000 1.219) 1.976 1.900 ( 0.360 0.000 0.311) 0.476 1.987 ( -1.230 -0.000 6.785) 6.896 2.042 ( 1.771 0.000 -2.004) 2.675 2.211 ( 3.439 0.000 -5.885) 6.816 2.265 ( -0.898 -0.000 -2.022) 2.213 2.339 ( 1.874 0.000 -2.087) 2.805 2.430 ( 0.624 0.000 -2.090) 2.181 2.473 ( 1.327 0.000 1.439) 1.957 2.476 ( 0.336 0.000 -0.548) 0.643 2.736 ( -3.219 -0.000 -0.284) 3.232 2.827 ( 5.897 0.000 6.354) 8.669 2.859 ( 1.793 0.000 -5.472) 5.758 3.026 ( 4.854 0.000 6.231) 7.899 3.043 ( 0.996 0.000 5.349) 5.441 3.274 ( -2.364 -0.000 -0.319) 2.385 3.281 ( 1.078 0.000 0.812) 1.350 3.587 ( -2.291 -0.000 -2.834) 3.644 3.680 ( -2.584 -0.000 -0.558) 2.644 3.721 ( 0.082 0.000 -1.911) 1.913 3.779 ( -0.862 -0.000 0.238) 0.895 3.956 ( -1.355 -0.000 -1.062) 1.722 4.007 ( -1.404 -0.000 -0.550) 1.508 4.465 ( 0.942 0.000 -1.820) 2.049 4.503 ( 0.626 0.000 0.767) 0.990 4.627 ( -2.467 -0.000 -1.135) 2.716 4.830 ( 0.899 0.000 0.530) 1.043 5.096 ( -1.714 -0.000 -2.302) 2.870 5.468 ( 1.455 0.000 2.003) 2.476 5.817 ( -0.608 -0.000 -1.249) 1.389 6.010 ( 0.694 0.000 1.428) 1.588 6.525 ( -0.350 -0.000 -0.219) 0.413 6.575 ( 0.311 0.000 0.174) 0.357 6.752 ( -1.137 -0.000 -1.570) 1.938 6.931 ( 0.607 0.000 0.745) 0.961 7.392 ( -0.629 -0.000 -0.805) 1.022 7.463 ( -0.395 -0.000 0.077) 0.402 7.660 ( -0.338 -0.000 -0.343) 0.482 7.715 ( 0.347 0.000 0.214) 0.408 7.908 ( 0.095 0.000 -0.064) 0.115 7.911 ( 0.080 0.000 0.071) 0.107 16.378 ( -1.939 -0.000 -0.410) 1.982 16.415 ( 0.134 0.000 -1.950) 1.955 17.180 ( 1.035 0.000 -1.204) 1.588 17.230 ( 0.194 0.000 1.040) 1.058 17.898 ( -1.458 -0.000 0.798) 1.662 17.913 ( -0.016 -0.000 -1.144) 1.145 19.035 ( 2.035 0.000 0.371) 2.069 19.056 ( 1.044 0.000 -0.297) 1.086 19.205 ( 2.425 0.000 0.853) 2.571 19.297 ( 2.189 0.000 1.831) 2.854 19.685 ( -3.634 -0.000 -4.769) 5.996 19.972 ( -2.585 -0.000 3.954) 4.724 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 4.533 -2.181 -4.513) 6.758 0.643 ( 6.963 0.851 2.762) 7.539 0.706 ( 4.574 -3.547 1.591) 6.002 0.855 ( 0.181 -0.909 0.654) 1.135 0.954 ( 1.553 -1.508 -9.909) 10.143 1.047 ( -3.759 -2.124 -0.385) 4.335 1.250 ( 1.180 -0.151 -0.039) 1.190 1.318 ( -0.811 4.234 8.219) 9.281 1.355 ( 1.792 0.531 0.614) 1.967 1.435 ( -1.198 -1.044 1.350) 2.085 1.527 ( -0.096 0.989 -0.201) 1.013 1.633 ( -2.736 -0.249 4.282) 5.088 1.795 ( 0.819 1.799 5.977) 6.295 1.821 ( -3.107 1.511 -0.144) 3.458 1.876 ( -0.006 0.051 -1.551) 1.552 2.017 ( 1.438 1.190 1.065) 2.149 2.080 ( -1.099 -4.134 1.916) 4.687 2.202 ( 1.528 0.971 -5.235) 5.539 2.223 ( -1.426 1.875 -4.816) 5.362 2.337 ( 2.567 -0.103 -0.480) 2.613 2.390 ( 1.282 3.092 -1.138) 3.535 2.455 ( -1.323 0.126 -0.464) 1.407 2.531 ( 0.668 -2.863 0.711) 3.025 2.713 ( -2.463 0.117 -0.306) 2.485 2.857 ( 1.169 -1.769 -5.992) 6.356 2.875 ( 0.372 -0.217 0.270) 0.508 3.045 ( -0.862 0.860 1.817) 2.187 3.100 ( -0.428 -2.478 1.188) 2.781 3.268 ( 1.546 0.595 4.214) 4.528 3.308 ( 1.689 -0.593 1.936) 2.636 3.566 ( -0.017 0.249 -0.656) 0.702 3.657 ( -1.402 0.373 -0.431) 1.513 3.704 ( 0.125 0.976 -1.821) 2.069 3.771 ( -1.975 -0.667 -0.910) 2.274 3.941 ( -0.404 0.362 -0.450) 0.705 3.999 ( -0.972 -0.450 -0.219) 1.094 4.461 ( 1.088 0.463 -1.434) 1.859 4.510 ( 0.073 -0.198 0.046) 0.216 4.615 ( -0.047 0.336 1.619) 1.655 4.839 ( 0.280 -0.354 -0.067) 0.457 5.089 ( 0.697 -0.145 0.569) 0.911 5.476 ( -0.413 0.118 -0.179) 0.465 5.810 ( 0.243 0.119 -0.221) 0.349 6.012 ( -0.581 0.090 -0.237) 0.634 6.524 ( -0.155 -0.201 -0.052) 0.259 6.575 ( -0.447 -0.138 -0.784) 0.913 6.748 ( 0.743 0.021 0.622) 0.969 6.934 ( -0.101 0.062 -0.029) 0.122 7.386 ( -0.105 0.120 -0.225) 0.276 7.457 ( -0.429 0.151 -0.499) 0.675 7.657 ( -0.005 0.122 0.031) 0.126 7.716 ( 0.040 0.132 -0.114) 0.179 7.908 ( 0.105 0.082 -0.039) 0.139 7.910 ( 0.048 0.113 0.047) 0.131 16.371 ( -0.661 -0.541 0.108) 0.861 16.410 ( 0.471 -0.166 -1.430) 1.515 17.169 ( 1.150 1.732 -0.720) 2.200 17.220 ( -0.181 1.507 0.515) 1.603 17.896 ( -1.132 -0.458 0.978) 1.564 17.914 ( 0.229 -0.488 -0.903) 1.051 19.048 ( 1.734 0.475 0.229) 1.812 19.060 ( 0.610 0.034 -0.758) 0.974 19.215 ( 2.148 1.583 0.587) 2.732 19.310 ( 0.521 0.445 0.906) 1.136 19.656 ( -0.904 -0.847 -1.929) 2.292 19.959 ( -3.875 -0.069 1.570) 4.181 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 1.750 0.015 1.898) 2.581 0.671 ( 3.258 -0.152 0.869) 3.376 0.844 ( -3.064 -2.839 1.165) 4.336 0.898 ( 7.340 -4.913 5.836) 10.586 0.976 ( 5.096 -1.129 -2.983) 6.012 1.063 ( -1.855 -2.480 -1.920) 3.644 1.248 ( 0.014 3.371 1.986) 3.912 1.324 ( 3.180 -0.781 8.437) 9.050 1.343 ( 1.895 2.272 -0.345) 2.979 1.435 ( -1.293 -0.902 -0.388) 1.624 1.565 ( 2.262 -0.823 1.014) 2.612 1.634 ( -1.201 -0.953 4.948) 5.180 1.710 ( -1.666 6.092 -2.637) 6.844 1.790 ( -2.215 0.609 2.206) 3.185 1.891 ( 0.050 -0.575 -0.721) 0.924 2.000 ( 1.260 1.881 -0.920) 2.444 2.100 ( -1.556 5.253 -6.139) 8.228 2.146 ( -1.736 -3.717 2.556) 4.833 2.199 ( 4.668 1.141 -2.006) 5.207 2.351 ( 1.033 2.596 -0.009) 2.794 2.389 ( 1.114 -3.150 0.617) 3.398 2.449 ( -1.964 -0.356 1.960) 2.797 2.564 ( -2.125 -1.607 -2.713) 3.802 2.692 ( -1.096 0.513 0.263) 1.238 2.824 ( -7.812 -0.558 -8.497) 11.556 2.873 ( 0.160 -2.097 -5.625) 6.006 3.031 ( -0.295 0.563 1.505) 1.634 3.129 ( -1.640 -2.048 -0.585) 2.688 3.306 ( 3.098 0.607 4.866) 5.801 3.338 ( 1.355 -0.162 2.016) 2.435 3.571 ( 1.729 0.252 1.438) 2.263 3.644 ( -0.389 0.265 0.149) 0.494 3.676 ( 0.281 1.419 -1.268) 1.924 3.760 ( -2.551 -0.937 -2.034) 3.395 3.940 ( 0.786 -0.201 0.387) 0.899 4.002 ( -0.689 -0.611 0.050) 0.922 4.455 ( 1.052 0.586 -0.691) 1.388 4.510 ( -0.582 -0.100 -0.675) 0.897 4.632 ( 2.373 0.421 3.985) 4.657 4.842 ( -0.634 -0.389 -0.942) 1.200 5.116 ( 2.878 -0.119 3.186) 4.295 5.457 ( -2.221 0.125 -2.353) 3.238 5.815 ( 1.117 0.165 0.904) 1.446 5.996 ( -1.794 0.100 -1.813) 2.553 6.528 ( 0.038 -0.304 0.104) 0.324 6.567 ( -0.875 -0.267 -1.204) 1.512 6.766 ( 2.082 0.093 2.314) 3.114 6.927 ( -0.815 0.097 -0.861) 1.189 7.385 ( 0.389 0.119 0.357) 0.541 7.447 ( -0.530 0.101 -0.775) 0.945 7.657 ( 0.381 0.152 0.460) 0.616 7.710 ( -0.289 0.202 -0.444) 0.567 7.907 ( 0.091 0.125 -0.021) 0.156 7.908 ( 0.002 0.177 0.027) 0.179 16.383 ( -0.018 -0.840 0.756) 1.130 16.413 ( 0.627 -0.244 -0.923) 1.142 17.137 ( 0.963 2.592 -0.063) 2.766 17.185 ( -0.506 2.240 -0.149) 2.301 17.905 ( -0.735 -0.812 1.073) 1.533 17.922 ( 0.405 -0.666 -0.759) 1.088 19.045 ( 0.191 0.680 -0.276) 0.759 19.057 ( 0.291 0.295 -1.025) 1.106 19.199 ( 2.005 2.096 0.792) 3.007 19.301 ( -0.254 1.013 0.137) 1.053 19.679 ( 1.577 -1.541 1.013) 2.426 19.933 ( -4.072 -0.501 -0.960) 4.214 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 2.047 0.855 6.254) 6.635 0.705 ( 3.000 -0.242 0.121) 3.012 0.871 ( -1.709 -1.726 0.428) 2.467 0.994 ( 3.638 4.610 7.088) 9.205 1.028 ( -3.830 -6.009 -2.512) 7.555 1.128 ( 8.093 -2.625 1.565) 8.651 1.198 ( 0.384 3.061 1.272) 3.337 1.317 ( -0.085 1.463 -0.337) 1.504 1.414 ( 3.918 -0.774 6.160) 7.341 1.444 ( -2.441 -1.543 -2.925) 4.110 1.542 ( -1.861 0.703 0.196) 1.999 1.612 ( 0.244 1.789 -1.046) 2.087 1.727 ( 1.802 -4.113 3.626) 5.771 1.790 ( 0.168 -1.015 1.709) 1.995 1.868 ( -0.389 1.806 -1.161) 2.182 1.964 ( 0.635 2.006 -3.823) 4.364 2.012 ( 3.655 3.629 2.448) 5.703 2.175 ( 1.946 0.896 -0.035) 2.143 2.245 ( 2.444 -1.994 1.955) 3.711 2.296 ( -1.682 3.298 -0.950) 3.822 2.435 ( -0.765 -1.081 -0.452) 1.399 2.452 ( -1.206 0.130 2.765) 3.020 2.521 ( -5.826 -0.917 -8.086) 10.008 2.651 ( -5.623 0.477 -6.803) 8.839 2.749 ( -5.152 -1.517 -0.221) 5.375 2.881 ( 0.461 -2.086 -6.437) 6.782 3.037 ( 1.527 0.897 3.143) 3.608 3.136 ( -2.051 -0.761 -1.091) 2.444 3.333 ( 1.945 0.784 2.574) 3.321 3.352 ( 0.694 0.361 1.234) 1.461 3.593 ( 2.047 0.044 2.140) 2.962 3.643 ( -0.061 -0.250 0.066) 0.265 3.659 ( 1.062 0.543 0.356) 1.245 3.743 ( -2.574 -0.970 -2.914) 4.007 3.959 ( 1.444 -0.412 1.000) 1.804 4.006 ( -0.785 -0.566 -0.212) 0.991 4.452 ( 1.027 0.472 0.296) 1.168 4.498 ( -1.121 0.019 -1.145) 1.602 4.675 ( 3.762 0.149 4.919) 6.195 4.830 ( -1.680 -0.073 -2.043) 2.646 5.167 ( 4.572 0.053 5.236) 6.951 5.415 ( -3.774 0.030 -4.278) 5.705 5.832 ( 1.943 0.109 2.038) 2.818 5.964 ( -2.700 0.043 -3.026) 4.056 6.535 ( 0.210 -0.260 0.254) 0.420 6.560 ( -0.834 -0.279 -1.035) 1.358 6.796 ( 2.624 0.175 3.023) 4.006 6.910 ( -1.505 0.111 -1.701) 2.274 7.391 ( 0.759 0.017 0.849) 1.139 7.437 ( -0.761 -0.007 -0.964) 1.228 7.662 ( 0.669 0.102 0.783) 1.035 7.701 ( -0.579 0.160 -0.730) 0.945 7.905 ( 0.041 0.115 -0.006) 0.122 7.905 ( -0.013 0.145 0.009) 0.146 16.401 ( 0.060 -0.669 0.839) 1.075 16.418 ( 0.556 -0.148 -0.500) 0.763 17.103 ( 0.694 2.079 0.669) 2.292 17.143 ( -0.687 1.675 -0.819) 1.987 17.919 ( -0.519 -0.758 0.986) 1.348 17.934 ( 0.612 -0.558 -0.662) 1.061 19.028 ( -0.796 0.760 -0.238) 1.126 19.043 ( -0.205 0.628 -1.488) 1.628 19.193 ( 2.394 1.431 1.899) 3.374 19.274 ( -1.136 1.281 -0.651) 1.832 19.734 ( 2.955 -1.414 3.065) 4.486 19.907 ( -3.615 -1.195 -3.051) 4.880 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.993 0.813 6.599) 6.941 0.723 ( 2.009 -0.321 -3.043) 3.660 0.836 ( 1.676 6.678 5.283) 8.678 0.942 ( -0.503 4.693 -4.702) 6.663 1.087 ( -1.070 -3.233 3.254) 4.710 1.146 ( -1.299 -0.377 -1.865) 2.304 1.241 ( 6.440 0.513 3.013) 7.128 1.285 ( -4.877 0.678 -0.970) 5.018 1.414 ( 2.155 0.076 0.023) 2.157 1.434 ( -3.167 -0.571 -1.943) 3.759 1.590 ( 0.206 -3.998 4.814) 6.261 1.650 ( 2.870 -3.108 -1.339) 4.437 1.790 ( 0.635 -2.428 1.863) 3.126 1.819 ( -2.398 -1.363 -1.033) 2.945 1.862 ( 1.796 0.289 3.692) 4.116 1.938 ( 3.293 0.397 -3.856) 5.086 2.056 ( 8.404 0.101 9.262) 12.507 2.159 ( 1.001 3.371 0.492) 3.551 2.192 ( -2.729 4.083 -2.215) 5.387 2.270 ( -4.080 0.497 -5.358) 6.752 2.396 ( -4.389 -0.135 -3.667) 5.721 2.436 ( 0.002 -0.766 -2.173) 2.303 2.487 ( -3.349 -0.317 0.832) 3.465 2.574 ( -2.109 0.370 -6.333) 6.685 2.765 ( -2.097 -1.349 5.822) 6.334 2.885 ( 0.559 -1.388 -6.261) 6.437 3.049 ( 2.553 1.740 3.775) 4.878 3.106 ( -2.599 1.175 -2.110) 3.548 3.336 ( 0.621 0.993 1.310) 1.757 3.350 ( 0.279 0.666 -0.049) 0.723 3.623 ( 1.658 -0.651 2.107) 2.759 3.650 ( -0.417 -0.969 -0.545) 1.187 3.680 ( 1.724 -0.794 1.814) 2.626 3.727 ( -2.306 -1.208 -3.085) 4.037 3.982 ( 1.241 -0.170 1.378) 1.862 4.005 ( -0.797 -0.425 -0.904) 1.278 4.458 ( 1.028 0.270 1.226) 1.623 4.483 ( -1.180 -0.094 -1.367) 1.808 4.728 ( 3.777 0.007 4.406) 5.803 4.798 ( -2.642 0.258 -3.063) 4.054 5.235 ( 5.558 0.107 6.447) 8.513 5.355 ( -5.008 -0.042 -5.859) 7.708 5.862 ( 2.595 0.003 3.002) 3.968 5.925 ( -3.027 -0.089 -3.552) 4.667 6.542 ( 0.382 -0.144 0.445) 0.604 6.553 ( -0.662 -0.172 -0.749) 1.014 6.830 ( 2.685 0.166 3.113) 4.115 6.883 ( -2.102 0.098 -2.465) 3.242 7.404 ( 0.966 -0.163 1.187) 1.539 7.427 ( -0.951 -0.197 -1.100) 1.468 7.671 ( 0.796 -0.004 0.938) 1.230 7.689 ( -0.748 0.032 -0.913) 1.181 7.903 ( -0.030 0.058 0.043) 0.078 7.904 ( 0.028 0.032 -0.043) 0.060 16.413 ( -0.124 -0.274 0.650) 0.716 16.422 ( 0.483 -0.184 -0.268) 0.582 17.090 ( 0.398 0.441 1.337) 1.463 17.116 ( -0.509 0.085 -1.359) 1.454 17.929 ( -0.576 -0.314 0.837) 1.063 17.944 ( 0.757 -0.304 -0.650) 1.043 19.010 ( -0.698 0.567 0.226) 0.928 19.023 ( -0.117 0.571 -1.169) 1.306 19.203 ( 2.347 0.873 1.980) 3.192 19.236 ( -1.822 1.150 -1.281) 2.507 19.798 ( 3.248 -0.854 4.517) 5.629 19.886 ( -3.269 -1.666 -4.541) 5.838 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.295 1.599 4.743) 5.170 0.719 ( 2.303 0.682 -4.831) 5.395 0.763 ( 1.623 7.425 3.044) 8.187 0.803 ( 2.566 5.643 -4.780) 7.828 1.140 ( -1.270 -1.262 1.182) 2.145 1.148 ( -0.947 -1.997 0.180) 2.218 1.195 ( -7.533 1.593 -2.482) 8.090 1.277 ( 4.737 1.617 2.302) 5.509 1.432 ( -1.632 -2.553 0.323) 3.047 1.466 ( 1.700 -1.822 -0.705) 2.590 1.645 ( -3.682 -0.850 0.056) 3.779 1.701 ( 2.530 -1.856 -0.607) 3.196 1.802 ( -2.193 -0.097 2.046) 3.001 1.860 ( 2.894 0.070 -0.292) 2.909 1.906 ( -2.593 -4.407 1.365) 5.292 1.958 ( -0.351 -3.294 -6.200) 7.030 2.049 ( -4.805 3.573 -1.910) 6.285 2.112 ( 3.695 3.717 2.368) 5.751 2.184 ( -1.914 -0.277 -8.161) 8.387 2.207 ( 7.754 -1.384 7.665) 10.991 2.395 ( -0.439 -0.911 4.194) 4.314 2.423 ( -1.902 0.210 -4.406) 4.803 2.476 ( 0.265 1.318 6.029) 6.177 2.539 ( 2.055 1.331 -2.711) 3.653 2.815 ( -0.069 -1.770 6.750) 6.978 2.873 ( 0.112 -0.282 -5.656) 5.664 3.036 ( -2.365 2.793 -3.092) 4.791 3.050 ( 3.064 3.139 3.787) 5.795 3.326 ( -0.252 0.848 0.404) 0.972 3.333 ( -0.264 0.990 -0.925) 1.381 3.658 ( -0.217 -1.429 0.481) 1.523 3.660 ( -0.668 -1.246 -0.673) 1.566 3.719 ( -1.797 -1.469 -2.605) 3.489 3.724 ( 1.753 -1.250 2.549) 3.337 3.991 ( -1.189 -0.259 -0.189) 1.231 4.007 ( 0.934 -0.201 0.121) 0.963 4.470 ( 0.255 -0.003 0.540) 0.597 4.472 ( -0.012 -0.154 -0.310) 0.347 4.753 ( -3.387 0.211 -3.666) 4.996 4.773 ( 3.012 0.122 3.213) 4.406 5.282 ( -5.673 -0.047 -6.745) 8.813 5.311 ( 5.503 0.018 6.496) 8.514 5.887 ( -2.786 -0.209 -3.436) 4.428 5.901 ( 2.982 -0.117 3.594) 4.672 6.547 ( -0.558 -0.015 -0.558) 0.789 6.550 ( 0.563 -0.049 0.687) 0.889 6.850 ( -2.521 0.054 -3.020) 3.934 6.863 ( 2.443 0.037 2.781) 3.702 7.418 ( -1.063 -0.418 -1.198) 1.655 7.423 ( 0.949 -0.367 1.288) 1.642 7.679 ( -0.757 -0.113 -0.751) 1.072 7.684 ( 0.780 -0.105 0.724) 1.069 7.903 ( 0.004 -0.059 0.067) 0.089 7.904 ( 0.021 -0.053 -0.066) 0.087 16.415 ( -0.579 0.028 0.620) 0.849 16.429 ( 0.385 -0.415 -0.726) 0.920 17.107 ( -0.345 -1.491 0.898) 1.774 17.121 ( 0.527 -1.416 -0.793) 1.706 17.929 ( -0.785 0.117 0.747) 1.090 17.947 ( 0.539 0.088 -0.850) 1.010 19.001 ( -0.488 0.153 0.350) 0.620 19.016 ( 1.025 0.198 -0.085) 1.047 19.197 ( -1.612 0.817 -1.412) 2.293 19.217 ( 2.273 0.620 1.342) 2.711 19.851 ( -1.432 -1.044 0.259) 1.791 19.869 ( 0.522 -0.901 -0.222) 1.065 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 5.997 0.000 -4.218) 7.332 0.648 ( -0.596 -0.000 -1.088) 1.240 0.784 ( -1.800 -0.000 5.549) 5.834 0.849 ( 3.086 0.000 0.650) 3.154 0.917 ( 11.225 0.000 -7.620) 13.567 1.016 ( -0.923 -0.000 2.399) 2.571 1.226 ( -1.315 -0.000 -1.298) 1.848 1.410 ( 1.524 0.000 9.600) 9.720 1.433 ( 3.341 0.000 8.131) 8.791 1.436 ( 3.085 0.000 0.289) 3.098 1.543 ( 2.323 0.000 -0.276) 2.339 1.610 ( -4.971 -0.000 3.588) 6.131 1.811 ( -3.062 -0.000 -0.503) 3.103 1.860 ( 2.372 0.000 8.042) 8.385 1.865 ( -3.701 -0.000 -1.103) 3.862 2.018 ( -3.523 -0.000 6.155) 7.092 2.065 ( 3.893 0.000 -2.771) 4.778 2.190 ( 2.666 0.000 -8.618) 9.021 2.196 ( -2.481 -0.000 -4.307) 4.970 2.354 ( 1.813 0.000 -0.757) 1.965 2.399 ( -0.472 -0.000 -3.233) 3.267 2.458 ( -0.921 -0.000 -2.323) 2.499 2.495 ( 0.218 0.000 -0.362) 0.423 2.707 ( -1.290 -0.000 2.096) 2.462 2.815 ( -3.340 -0.000 -8.425) 9.063 2.832 ( -3.884 -0.000 -5.170) 6.466 3.046 ( -0.067 -0.000 -1.730) 1.731 3.070 ( -2.019 -0.000 2.425) 3.156 3.319 ( 2.527 0.000 5.479) 6.034 3.331 ( 2.166 0.000 2.557) 3.351 3.577 ( 1.722 0.000 1.240) 2.122 3.651 ( -0.735 -0.000 0.100) 0.742 3.707 ( 0.424 0.000 -1.663) 1.716 3.742 ( -2.241 -0.000 -1.518) 2.706 3.942 ( 0.063 0.000 0.126) 0.141 3.985 ( -0.819 -0.000 -0.269) 0.862 4.468 ( 1.322 0.000 -1.260) 1.826 4.505 ( -0.609 -0.000 -0.474) 0.772 4.641 ( 2.020 0.000 4.065) 4.539 4.833 ( -0.398 -0.000 -0.842) 0.931 5.112 ( 3.000 0.000 3.232) 4.409 5.460 ( -2.309 -0.000 -2.360) 3.301 5.818 ( 1.148 0.000 0.793) 1.395 5.998 ( -1.852 -0.000 -1.732) 2.536 6.521 ( 0.006 0.000 0.081) 0.081 6.562 ( -0.898 -0.000 -1.356) 1.627 6.768 ( 2.169 0.000 2.352) 3.199 6.929 ( -0.808 -0.000 -0.823) 1.154 7.388 ( 0.347 0.000 0.258) 0.432 7.450 ( -0.613 -0.000 -0.927) 1.112 7.660 ( 0.361 0.000 0.450) 0.577 7.715 ( -0.247 -0.000 -0.460) 0.522 7.909 ( 0.117 0.000 -0.014) 0.118 7.912 ( 0.011 0.000 0.023) 0.025 16.366 ( -0.016 -0.000 0.896) 0.896 16.407 ( 0.784 0.000 -1.302) 1.520 17.192 ( 1.412 0.000 -0.539) 1.512 17.232 ( -0.684 -0.000 0.230) 0.722 17.888 ( -0.936 -0.000 1.107) 1.449 17.908 ( 0.417 0.000 -0.731) 0.842 19.059 ( 0.402 0.000 -1.077) 1.150 19.064 ( 0.859 0.000 -0.241) 0.892 19.254 ( 1.857 0.000 1.392) 2.321 19.313 ( -0.302 -0.000 -0.352) 0.464 19.649 ( 2.012 0.000 0.428) 2.056 19.923 ( -5.512 -0.000 -0.380) 5.525 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 3.627 -1.591 0.863) 4.054 0.668 ( 2.211 -1.864 -0.466) 2.929 0.748 ( -7.921 -3.301 -1.333) 8.684 0.848 ( -0.521 -1.512 -6.478) 6.673 1.046 ( 2.194 -1.087 4.332) 4.976 1.074 ( 15.429 -0.713 7.588) 17.208 1.226 ( -1.391 -1.876 -2.217) 3.220 1.407 ( 0.851 4.176 2.242) 4.816 1.431 ( 0.728 2.945 5.630) 6.395 1.488 ( 3.621 2.194 7.751) 8.832 1.573 ( 1.850 -0.527 -0.445) 1.975 1.622 ( -0.353 -2.038 3.625) 4.173 1.764 ( -2.342 2.466 -2.197) 4.049 1.791 ( -4.876 2.800 -0.221) 5.627 1.908 ( 1.701 1.016 6.059) 6.375 2.046 ( 2.038 2.143 -1.296) 3.229 2.070 ( -3.001 -3.862 3.911) 6.262 2.141 ( 1.099 2.613 -3.821) 4.758 2.196 ( 3.325 -2.339 -6.606) 7.756 2.369 ( 1.812 -0.811 -0.186) 1.994 2.389 ( -0.508 0.176 -0.346) 0.639 2.418 ( -2.177 0.067 -2.473) 3.296 2.514 ( -1.232 -1.536 -1.789) 2.661 2.671 ( -11.247 0.580 -11.872) 16.364 2.711 ( -1.718 -0.005 1.551) 2.315 2.817 ( 0.367 -1.095 -5.097) 5.227 3.046 ( 0.677 0.133 1.378) 1.541 3.082 ( -1.418 -1.801 0.306) 2.313 3.353 ( 1.475 0.369 3.151) 3.498 3.358 ( 1.182 0.023 2.188) 2.487 3.600 ( 2.180 0.192 2.056) 3.003 3.646 ( -0.385 0.198 0.246) 0.498 3.694 ( 0.511 0.977 -1.139) 1.585 3.722 ( -1.681 -0.354 -1.676) 2.400 3.947 ( 0.966 -0.140 0.580) 1.135 3.983 ( -0.903 -0.598 -0.381) 1.148 4.470 ( 1.277 0.410 -0.660) 1.495 4.497 ( -1.095 -0.133 -0.813) 1.370 4.682 ( 3.033 0.197 4.912) 5.776 4.823 ( -1.229 -0.209 -1.775) 2.169 5.166 ( 4.779 -0.079 5.341) 7.168 5.418 ( -3.933 0.074 -4.297) 5.825 5.836 ( 2.015 0.104 1.850) 2.737 5.967 ( -2.794 0.075 -2.906) 4.032 6.525 ( 0.188 -0.223 0.225) 0.368 6.550 ( -0.823 -0.196 -1.184) 1.455 6.801 ( 2.697 0.068 3.064) 4.082 6.914 ( -1.477 0.074 -1.615) 2.190 7.394 ( 0.722 0.067 0.701) 1.009 7.439 ( -0.771 0.052 -1.132) 1.371 7.667 ( 0.676 0.108 0.825) 1.072 7.707 ( -0.529 0.148 -0.771) 0.947 7.909 ( 0.102 0.096 0.003) 0.140 7.911 ( -0.037 0.116 0.004) 0.121 16.377 ( 0.064 -0.526 1.304) 1.407 16.410 ( 0.886 -0.207 -1.176) 1.487 17.185 ( 1.271 1.812 -0.036) 2.214 17.212 ( -0.987 1.523 -0.232) 1.829 17.893 ( -0.618 -0.548 1.144) 1.411 17.912 ( 0.513 -0.469 -0.744) 1.017 19.053 ( -0.060 0.478 -0.700) 0.849 19.060 ( -0.154 0.317 -0.828) 0.900 19.254 ( 1.520 1.734 1.387) 2.691 19.308 ( -0.454 0.336 -0.624) 0.842 19.690 ( 4.232 -0.840 2.509) 4.991 19.875 ( -5.832 -0.591 -2.295) 6.295 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 1.972 -0.688 4.893) 5.320 0.707 ( 1.725 -1.360 -2.343) 3.212 0.785 ( -3.786 -5.770 1.870) 7.150 0.872 ( -0.799 -5.840 -5.855) 8.308 1.098 ( 1.527 0.091 6.129) 6.317 1.190 ( 3.630 0.093 -0.730) 3.704 1.245 ( 4.501 0.974 3.471) 5.767 1.331 ( -3.236 2.356 -3.455) 5.288 1.419 ( -0.189 2.051 6.015) 6.358 1.500 ( 1.829 3.114 1.461) 3.896 1.555 ( 1.687 1.586 1.739) 2.895 1.649 ( -2.381 4.235 -4.418) 6.566 1.703 ( 1.844 -2.646 4.602) 5.620 1.759 ( -1.438 -1.431 -1.317) 2.419 1.905 ( -0.092 2.006 3.115) 3.706 1.991 ( 1.968 3.150 -5.370) 6.529 2.117 ( 1.001 -0.129 4.962) 5.063 2.166 ( 3.484 -1.244 6.321) 7.324 2.233 ( 3.159 -1.546 -4.575) 5.770 2.329 ( -5.276 2.014 -6.618) 8.700 2.401 ( -1.049 -0.819 -0.422) 1.396 2.420 ( -2.226 -2.061 -1.758) 3.506 2.474 ( -1.992 2.100 0.908) 3.033 2.559 ( -4.359 -1.498 -7.339) 8.666 2.720 ( -1.384 -0.576 4.093) 4.359 2.818 ( 0.676 -1.855 -5.904) 6.225 3.064 ( -0.017 -0.575 2.815) 2.873 3.100 ( -0.547 -1.181 -1.001) 1.642 3.363 ( 0.339 0.560 1.499) 1.636 3.368 ( 0.300 0.375 1.024) 1.131 3.621 ( 1.746 0.294 1.572) 2.368 3.639 ( -0.585 0.178 -0.418) 0.741 3.681 ( 1.153 0.687 0.272) 1.369 3.706 ( -1.304 -0.097 -2.046) 2.428 3.968 ( 1.403 -0.541 0.955) 1.781 3.984 ( -1.002 -0.739 -0.725) 1.441 4.471 ( 1.203 0.407 0.209) 1.287 4.483 ( -1.443 0.032 -1.029) 1.773 4.729 ( 3.324 0.055 4.647) 5.714 4.801 ( -2.213 -0.076 -2.890) 3.640 5.238 ( 5.624 0.014 6.398) 8.519 5.356 ( -5.099 0.041 -5.733) 7.672 5.865 ( 2.723 0.145 2.797) 3.907 5.926 ( -3.166 0.088 -3.466) 4.695 6.533 ( 0.358 -0.322 0.376) 0.611 6.544 ( -0.600 -0.312 -0.824) 1.066 6.836 ( 2.681 0.145 3.084) 4.089 6.888 ( -2.085 0.133 -2.343) 3.139 7.403 ( 0.937 0.056 1.021) 1.387 7.425 ( -0.938 0.043 -1.223) 1.542 7.675 ( 0.818 0.165 1.007) 1.307 7.694 ( -0.742 0.211 -0.983) 1.250 7.908 ( -0.004 0.162 0.010) 0.162 7.908 ( 0.003 0.158 -0.006) 0.158 16.394 ( -0.140 -0.705 1.079) 1.296 16.415 ( 0.645 -0.284 -1.065) 1.277 17.154 ( 0.269 2.633 0.713) 2.741 17.169 ( -0.384 2.290 -0.832) 2.467 17.906 ( -0.476 -0.814 1.012) 1.383 17.924 ( 0.673 -0.726 -0.807) 1.277 19.036 ( -0.764 0.824 0.097) 1.128 19.047 ( -0.019 0.596 -1.032) 1.192 19.246 ( 1.658 1.557 1.991) 3.023 19.281 ( -1.455 1.302 -1.394) 2.399 19.760 ( 4.907 -1.065 3.826) 6.313 19.834 ( -4.807 -1.362 -3.722) 6.230 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -1.018 -0.028 2.069) 2.306 0.716 ( 2.173 -0.130 -4.071) 4.616 0.894 ( -0.626 -4.654 3.446) 5.824 0.933 ( 1.400 -2.912 -2.000) 3.800 1.097 ( -3.387 2.265 1.477) 4.334 1.152 ( 1.639 3.971 0.285) 4.305 1.248 ( -5.658 0.349 -2.331) 6.129 1.293 ( 1.433 -1.244 -0.072) 1.899 1.408 ( -0.777 2.050 3.381) 4.030 1.440 ( 0.530 1.627 -1.989) 2.624 1.562 ( -1.401 0.200 0.794) 1.623 1.619 ( 4.314 -1.884 -1.820) 5.047 1.767 ( -0.362 -2.219 1.052) 2.483 1.778 ( 0.054 -1.604 -0.199) 1.618 1.891 ( -0.366 1.043 1.062) 1.533 1.939 ( 2.000 1.532 -4.827) 5.444 2.152 ( -3.882 0.330 2.996) 4.915 2.169 ( -8.462 1.142 -9.933) 13.099 2.231 ( 5.041 2.655 6.420) 8.584 2.245 ( 2.592 0.120 -0.243) 2.606 2.391 ( 1.060 1.579 1.548) 2.453 2.425 ( 2.698 -0.073 -0.813) 2.819 2.493 ( 0.602 -0.272 6.061) 6.097 2.539 ( 0.677 -1.194 -3.645) 3.895 2.751 ( -1.910 -1.799 6.293) 6.818 2.833 ( 1.458 -1.984 -5.663) 6.175 3.077 ( -2.202 -0.340 0.212) 2.238 3.108 ( 1.837 0.266 0.862) 2.047 3.355 ( -0.624 0.774 0.429) 1.083 3.361 ( -0.309 0.632 -0.154) 0.720 3.626 ( -1.223 -0.171 -1.148) 1.686 3.636 ( 1.078 -0.095 0.744) 1.313 3.686 ( -1.475 -0.302 -2.188) 2.656 3.697 ( 2.207 -0.186 1.762) 2.830 3.979 ( -1.366 -0.553 -0.636) 1.605 3.997 ( 1.473 -0.502 0.469) 1.625 4.465 ( -1.474 -0.051 -1.014) 1.790 4.478 ( 1.250 0.309 0.925) 1.586 4.761 ( -3.230 0.203 -3.963) 5.117 4.776 ( 2.982 -0.022 3.752) 4.793 5.282 ( -5.618 0.026 -6.443) 8.549 5.313 ( 5.501 0.082 6.284) 8.352 5.883 ( -2.941 0.002 -3.320) 4.436 5.901 ( 3.096 0.107 3.396) 4.597 6.542 ( -0.419 -0.275 -0.541) 0.738 6.544 ( 0.534 -0.290 0.585) 0.843 6.854 ( -2.535 0.153 -2.891) 3.848 6.868 ( 2.375 0.170 2.730) 3.622 7.411 ( -0.999 -0.036 -1.186) 1.551 7.416 ( 0.972 -0.045 1.144) 1.502 7.679 ( -0.752 0.154 -0.776) 1.092 7.684 ( 0.746 0.118 0.738) 1.056 7.905 ( -0.067 0.127 0.020) 0.145 7.906 ( 0.037 0.135 -0.018) 0.141 16.407 ( -0.316 -0.561 0.612) 0.888 16.418 ( 0.243 -0.296 -0.870) 0.951 17.112 ( -1.220 1.775 0.171) 2.161 17.131 ( 1.019 1.950 -0.106) 2.203 17.920 ( -0.536 -0.657 0.787) 1.157 17.937 ( 0.717 -0.640 -0.851) 1.284 19.019 ( -0.506 0.767 0.823) 1.234 19.032 ( 0.238 0.678 -0.603) 0.938 19.232 ( -2.166 1.216 -1.662) 2.988 19.248 ( 1.613 1.265 1.629) 2.618 19.801 ( -3.807 -1.728 -3.007) 5.149 19.840 ( 4.498 -0.780 2.998) 5.462 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -2.538 0.647 -2.403) 3.554 0.713 ( 0.723 -0.293 -4.012) 4.087 0.875 ( 0.928 4.936 -3.326) 6.024 0.936 ( 2.565 5.213 0.604) 5.841 1.069 ( -6.019 -2.952 1.282) 6.825 1.120 ( -1.682 1.136 2.156) 2.961 1.180 ( -2.669 0.581 -2.425) 3.653 1.333 ( 1.372 -2.545 -1.113) 3.098 1.377 ( -0.716 1.852 1.770) 2.660 1.463 ( 1.716 -1.184 1.437) 2.532 1.588 ( -1.779 -3.652 1.191) 4.233 1.657 ( 0.001 -2.295 -5.302) 5.777 1.787 ( 0.038 -0.134 -0.020) 0.141 1.805 ( -6.629 -1.313 -0.608) 6.785 1.857 ( -0.108 -0.814 -2.606) 2.732 1.918 ( 1.305 0.229 -3.910) 4.128 2.045 ( -2.178 0.993 -4.379) 4.990 2.110 ( -1.454 1.581 -1.348) 2.536 2.256 ( 2.206 1.500 0.534) 2.721 2.273 ( 1.354 0.138 2.214) 2.599 2.388 ( 0.706 0.960 5.987) 6.104 2.435 ( 1.116 1.261 0.958) 1.937 2.539 ( 4.023 -0.577 2.298) 4.669 2.587 ( 6.907 0.317 7.205) 9.986 2.813 ( -0.372 -2.491 7.340) 7.760 2.842 ( 1.021 -0.648 -4.993) 5.137 3.042 ( -1.601 1.467 -2.618) 3.401 3.125 ( 2.143 1.076 2.748) 3.647 3.330 ( -1.455 0.927 -1.339) 2.184 3.344 ( -0.627 0.760 -0.192) 1.004 3.613 ( -2.138 -0.790 -2.279) 3.223 3.650 ( 0.074 -0.617 0.272) 0.679 3.673 ( -1.405 -0.889 -2.077) 2.661 3.739 ( 2.599 -0.828 3.014) 4.065 3.970 ( -1.345 -0.287 -1.179) 1.812 4.015 ( 0.831 -0.165 0.420) 0.946 4.453 ( -0.958 -0.284 -1.073) 1.466 4.489 ( 1.122 0.147 1.310) 1.731 4.706 ( -3.983 0.245 -4.565) 6.063 4.812 ( 2.311 0.144 2.692) 3.551 5.206 ( -5.236 0.061 -6.147) 8.075 5.381 ( 4.557 0.044 5.301) 6.990 5.848 ( -2.307 -0.128 -2.736) 3.581 5.942 ( 2.988 0.002 3.422) 4.543 6.540 ( -0.330 -0.106 -0.371) 0.508 6.557 ( 0.725 -0.186 0.852) 1.135 6.815 ( -2.684 0.133 -3.153) 4.143 6.894 ( 1.903 0.109 2.188) 2.902 7.399 ( -0.947 -0.173 -1.094) 1.457 7.431 ( 0.843 -0.193 1.071) 1.376 7.667 ( -0.768 0.006 -0.875) 1.164 7.694 ( 0.732 0.007 0.798) 1.083 7.903 ( -0.029 0.011 0.043) 0.054 7.904 ( 0.027 0.053 -0.040) 0.072 16.412 ( -0.547 -0.120 0.157) 0.582 16.421 ( 0.036 -0.357 -0.728) 0.812 17.086 ( -0.960 0.009 -0.447) 1.059 17.121 ( 1.039 0.329 0.627) 1.257 17.926 ( -0.656 -0.187 0.654) 0.945 17.946 ( 0.441 -0.233 -0.943) 1.067 19.010 ( 0.021 0.621 1.032) 1.204 19.028 ( 1.006 0.125 0.310) 1.060 19.187 ( -1.929 0.734 -2.248) 3.052 19.251 ( 1.423 0.756 1.377) 2.120 19.782 ( -3.491 -1.378 -3.877) 5.396 19.900 ( 3.355 -0.407 3.905) 5.164 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 4.294 0.000 2.211) 4.830 0.629 ( -9.652 -0.000 -2.200) 9.900 0.674 ( 3.315 0.000 1.282) 3.554 0.795 ( -0.833 -0.000 -8.342) 8.384 1.075 ( 2.600 0.000 4.650) 5.327 1.147 ( -0.184 -0.000 -2.641) 2.648 1.274 ( 12.300 0.000 8.628) 15.024 1.411 ( -6.993 -0.000 -5.031) 8.615 1.493 ( -0.967 -0.000 6.808) 6.877 1.565 ( -1.323 -0.000 4.663) 4.847 1.590 ( 5.064 0.000 -0.622) 5.102 1.627 ( 4.280 0.000 2.606) 5.011 1.756 ( -2.908 -0.000 -0.307) 2.924 1.789 ( -2.185 -0.000 -0.496) 2.240 1.991 ( 1.676 0.000 7.194) 7.386 2.003 ( -5.446 -0.000 6.875) 8.771 2.108 ( 4.483 0.000 -1.492) 4.725 2.135 ( 1.836 0.000 -9.047) 9.232 2.178 ( 5.462 0.000 1.709) 5.723 2.360 ( -5.345 -0.000 -5.929) 7.983 2.371 ( -2.352 -0.000 -4.965) 5.494 2.373 ( -0.405 -0.000 -1.059) 1.134 2.489 ( 0.881 0.000 0.265) 0.920 2.536 ( -7.807 -0.000 -6.686) 10.279 2.724 ( -0.333 -0.000 2.914) 2.933 2.792 ( 0.627 0.000 -4.145) 4.192 3.046 ( -3.262 -0.000 1.914) 3.782 3.067 ( 2.226 0.000 -0.171) 2.232 3.374 ( 0.451 0.000 1.475) 1.543 3.374 ( 0.110 0.000 1.684) 1.687 3.628 ( 1.920 0.000 1.649) 2.530 3.645 ( -0.491 -0.000 -0.152) 0.514 3.703 ( -0.888 -0.000 -0.917) 1.276 3.704 ( 0.984 0.000 -1.063) 1.448 3.956 ( 1.089 0.000 0.590) 1.239 3.968 ( -0.784 -0.000 -0.698) 1.050 4.480 ( 1.212 0.000 -0.435) 1.287 4.482 ( -1.460 -0.000 -0.586) 1.573 4.731 ( 2.841 0.000 4.497) 5.319 4.799 ( -1.795 -0.000 -2.665) 3.214 5.237 ( 5.770 0.000 6.467) 8.667 5.357 ( -5.251 -0.000 -5.800) 7.824 5.868 ( 2.783 0.000 2.735) 3.901 5.928 ( -3.235 -0.000 -3.402) 4.694 6.526 ( 0.380 0.000 0.367) 0.529 6.538 ( -0.585 -0.000 -0.890) 1.064 6.838 ( 2.693 0.000 3.101) 4.107 6.890 ( -2.049 -0.000 -2.326) 3.100 7.405 ( 0.929 0.000 0.948) 1.328 7.426 ( -0.921 -0.000 -1.270) 1.569 7.679 ( 0.837 0.000 1.050) 1.343 7.699 ( -0.728 -0.000 -1.030) 1.261 7.911 ( 0.086 0.000 0.019) 0.088 7.911 ( -0.085 -0.000 -0.013) 0.086 16.379 ( -0.182 -0.000 1.450) 1.462 16.409 ( 0.939 0.000 -1.520) 1.786 17.212 ( 1.392 0.000 0.033) 1.393 17.214 ( -1.498 -0.000 -0.209) 1.512 17.890 ( -0.346 -0.000 1.093) 1.146 17.908 ( 0.576 0.000 -0.858) 1.033 19.054 ( -1.067 -0.000 -0.359) 1.126 19.056 ( 0.282 0.000 -0.525) 0.596 19.283 ( 0.025 0.000 1.407) 1.407 19.305 ( -0.135 -0.000 -0.865) 0.875 19.741 ( 6.412 0.000 3.438) 7.275 19.806 ( -6.258 -0.000 -3.319) 7.083 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -7.338 -4.970 -1.681) 9.021 0.662 ( 0.941 -2.195 7.284) 7.665 0.727 ( 2.458 -0.908 -1.154) 2.863 0.771 ( 1.630 -3.261 -5.229) 6.375 1.119 ( -0.434 -0.564 0.988) 1.218 1.143 ( 1.061 -2.328 -1.487) 2.959 1.290 ( -10.194 1.507 -7.894) 12.981 1.364 ( 4.724 3.254 4.130) 7.069 1.493 ( -0.295 1.660 6.109) 6.338 1.542 ( -0.118 2.486 -1.337) 2.826 1.618 ( 0.072 -0.661 -1.813) 1.931 1.658 ( 2.861 1.255 -2.458) 3.975 1.720 ( -1.902 1.596 2.078) 3.238 1.760 ( 2.947 2.570 2.443) 4.610 1.965 ( -0.285 2.680 4.729) 5.443 2.044 ( 2.230 3.892 -6.794) 8.141 2.067 ( -3.494 -3.519 6.060) 7.830 2.185 ( 2.771 -3.119 -6.432) 7.667 2.216 ( -10.846 0.662 -10.652) 15.216 2.277 ( 7.896 -0.553 10.236) 12.939 2.372 ( -1.377 -1.526 -0.220) 2.067 2.392 ( 0.911 -2.446 0.069) 2.611 2.487 ( -1.584 0.007 0.401) 1.634 2.518 ( 4.136 0.258 2.046) 4.621 2.730 ( -0.867 0.400 3.400) 3.532 2.780 ( 0.883 -0.511 -4.142) 4.266 3.040 ( -3.164 -1.143 1.784) 3.808 3.090 ( 1.827 -0.765 -0.149) 1.986 3.374 ( -0.710 0.281 0.552) 0.942 3.377 ( -0.348 0.294 0.435) 0.630 3.634 ( -0.980 0.269 -1.161) 1.543 3.644 ( 1.363 0.300 0.663) 1.545 3.691 ( -0.393 0.380 -0.636) 0.839 3.706 ( 1.509 0.372 -0.363) 1.596 3.960 ( -0.976 -0.281 -0.709) 1.239 3.975 ( 1.459 -0.627 0.406) 1.640 4.466 ( -1.721 0.072 -0.397) 1.768 4.487 ( 1.109 0.143 0.123) 1.125 4.766 ( -2.460 0.087 -3.598) 4.359 4.772 ( 2.429 -0.105 3.566) 4.316 5.282 ( -5.830 -0.039 -6.487) 8.722 5.315 ( 5.633 0.022 6.348) 8.486 5.885 ( -3.057 0.066 -3.236) 4.452 5.906 ( 3.220 0.116 3.302) 4.614 6.532 ( -0.363 -0.211 -0.594) 0.728 6.534 ( 0.563 -0.215 0.533) 0.805 6.859 ( -2.513 0.096 -2.893) 3.833 6.872 ( 2.363 0.082 2.718) 3.603 7.412 ( -0.967 0.045 -1.228) 1.564 7.417 ( 0.956 0.040 1.066) 1.433 7.686 ( -0.803 0.156 -1.050) 1.331 7.689 ( 0.791 0.114 0.973) 1.259 7.909 ( -0.116 0.105 -0.013) 0.157 7.911 ( 0.051 0.108 0.016) 0.120 16.387 ( -0.459 -0.430 1.173) 1.331 16.408 ( 0.584 -0.199 -1.817) 1.919 17.186 ( -1.700 1.655 -0.101) 2.375 17.208 ( 1.218 1.666 0.113) 2.067 17.897 ( -0.248 -0.459 0.905) 1.044 17.914 ( 0.748 -0.530 -0.988) 1.348 19.042 ( -0.893 0.408 0.367) 1.048 19.053 ( 0.067 0.407 -0.129) 0.432 19.276 ( -1.476 1.107 0.226) 1.859 19.290 ( 0.079 0.793 0.080) 0.801 19.750 ( -5.310 -0.979 -3.574) 6.475 19.818 ( 7.141 -0.431 3.510) 7.969 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.289 -3.111 -2.273) 5.766 0.709 ( 0.485 -0.003 -4.075) 4.104 0.794 ( -2.406 -7.134 8.108) 11.065 0.871 ( 4.330 -5.288 0.050) 6.835 1.091 ( -5.511 1.673 -5.235) 7.783 1.132 ( -7.957 -2.155 -9.863) 12.855 1.224 ( 2.077 -0.204 3.595) 4.156 1.307 ( -3.116 2.905 1.474) 4.508 1.455 ( -0.297 2.401 -2.518) 3.492 1.493 ( 0.734 4.463 0.146) 4.526 1.580 ( 0.652 1.966 -2.835) 3.511 1.642 ( 0.407 1.861 0.754) 2.049 1.707 ( -1.231 -1.921 -2.013) 3.043 1.789 ( 4.381 0.577 3.340) 5.539 1.920 ( -2.027 3.321 -1.697) 4.244 1.986 ( 3.960 2.634 -1.254) 4.919 2.080 ( -5.399 0.909 -6.602) 8.576 2.123 ( -4.044 -2.350 5.583) 7.283 2.215 ( -0.457 -1.658 -3.780) 4.153 2.328 ( 0.554 2.848 3.320) 4.409 2.408 ( 0.909 -2.966 -0.471) 3.138 2.461 ( 2.833 -3.013 1.427) 4.374 2.498 ( 0.963 0.896 1.876) 2.291 2.588 ( 10.005 0.479 10.074) 14.207 2.737 ( -1.544 -0.759 3.117) 3.560 2.795 ( 1.731 -1.698 -1.534) 2.870 3.045 ( -2.170 -1.093 0.385) 2.460 3.119 ( 1.338 -0.937 0.674) 1.767 3.361 ( -1.117 0.672 -0.374) 1.356 3.362 ( -1.280 0.416 -0.883) 1.610 3.609 ( -1.728 0.329 -2.043) 2.696 3.648 ( 0.545 0.323 -0.016) 0.634 3.673 ( -0.491 0.740 -1.167) 1.467 3.722 ( 2.686 -0.127 1.505) 3.081 3.954 ( -1.109 -0.477 -0.914) 1.514 4.000 ( 1.263 -0.678 0.248) 1.455 4.449 ( -1.642 0.083 -0.262) 1.665 4.495 ( 1.022 0.124 0.692) 1.240 4.718 ( -3.284 0.397 -4.571) 5.643 4.809 ( 1.955 -0.265 2.687) 3.334 5.206 ( -5.366 -0.074 -6.074) 8.105 5.384 ( 4.665 0.099 5.246) 7.021 5.848 ( -2.439 0.062 -2.573) 3.546 5.945 ( 3.114 0.172 3.299) 4.540 6.532 ( -0.207 -0.306 -0.373) 0.525 6.547 ( 0.751 -0.319 0.792) 1.137 6.820 ( -2.762 0.141 -3.127) 4.175 6.899 ( 1.852 0.136 2.113) 2.813 7.398 ( -0.875 0.054 -1.038) 1.359 7.429 ( 0.841 0.017 1.065) 1.357 7.671 ( -0.781 0.185 -0.983) 1.270 7.698 ( 0.694 0.176 0.866) 1.123 7.906 ( -0.112 0.137 0.004) 0.177 7.909 ( 0.017 0.167 -0.003) 0.168 16.397 ( -0.564 -0.604 0.778) 1.135 16.407 ( 0.022 -0.420 -1.638) 1.691 17.136 ( -1.614 2.292 -0.033) 2.803 17.181 ( 1.045 2.485 0.236) 2.706 17.908 ( -0.342 -0.661 0.730) 1.043 17.926 ( 0.807 -0.739 -1.090) 1.544 19.032 ( -0.346 0.500 1.198) 1.344 19.042 ( -0.169 0.648 0.040) 0.671 19.227 ( -2.639 1.612 -1.771) 3.563 19.286 ( 0.614 0.991 1.564) 1.951 19.721 ( -3.806 -1.842 -3.234) 5.323 19.894 ( 6.284 -0.075 3.065) 6.992 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -4.098 -0.583 -3.623) 5.501 0.683 ( -1.633 -0.243 -4.351) 4.653 0.886 ( -2.699 -2.646 1.289) 3.993 0.933 ( -7.389 -0.905 -5.088) 9.017 1.056 ( 5.373 -0.798 4.497) 7.052 1.085 ( -2.986 -3.716 -7.000) 8.469 1.178 ( -3.061 3.821 1.023) 5.001 1.310 ( 2.004 -0.095 1.132) 2.303 1.419 ( -1.149 0.414 -2.961) 3.203 1.454 ( 1.074 -0.475 0.830) 1.438 1.555 ( 0.655 0.957 2.807) 3.037 1.605 ( -1.698 0.349 -3.424) 3.838 1.722 ( -3.410 -1.890 -3.745) 5.406 1.802 ( 0.587 1.864 -0.224) 1.967 1.868 ( 1.815 -0.129 0.889) 2.026 1.952 ( 1.562 4.356 1.033) 4.741 2.032 ( 0.479 0.529 -4.022) 4.084 2.124 ( -2.102 1.043 1.002) 2.551 2.208 ( -3.848 -1.260 -2.313) 4.663 2.304 ( 0.254 0.194 2.503) 2.523 2.455 ( 1.395 -0.826 -0.169) 1.630 2.475 ( 1.176 2.906 0.782) 3.231 2.544 ( 3.606 -2.236 3.256) 5.348 2.698 ( 6.012 0.425 4.796) 7.703 2.790 ( 1.133 -3.461 6.473) 7.427 2.837 ( 2.485 -0.580 2.461) 3.545 3.040 ( -0.194 0.414 -1.246) 1.327 3.149 ( 0.947 -0.768 1.774) 2.153 3.323 ( -2.168 1.060 -2.853) 3.736 3.343 ( -1.318 0.259 -0.497) 1.432 3.579 ( -2.120 0.041 -2.222) 3.072 3.645 ( -0.089 0.056 -0.171) 0.201 3.652 ( -0.518 0.432 -1.029) 1.230 3.764 ( 3.141 -0.606 2.666) 4.164 3.950 ( -0.732 -0.418 -1.029) 1.331 4.016 ( 0.412 -0.319 -0.103) 0.531 4.437 ( -1.092 -0.141 -0.190) 1.118 4.505 ( 0.779 0.084 0.834) 1.144 4.660 ( -3.461 0.548 -4.484) 5.690 4.837 ( 1.322 -0.214 1.720) 2.180 5.143 ( -3.927 -0.024 -4.511) 5.981 5.435 ( 3.176 0.114 3.560) 4.772 5.821 ( -1.596 -0.009 -1.706) 2.337 5.980 ( 2.406 0.132 2.614) 3.555 6.534 ( -0.129 -0.220 -0.216) 0.334 6.564 ( 0.881 -0.291 1.020) 1.379 6.782 ( -2.496 0.115 -2.814) 3.763 6.918 ( 1.239 0.124 1.403) 1.876 7.387 ( -0.650 0.009 -0.737) 0.983 7.440 ( 0.618 -0.044 0.856) 1.057 7.659 ( -0.563 0.118 -0.686) 0.895 7.703 ( 0.491 0.123 0.593) 0.780 7.904 ( -0.073 0.077 0.029) 0.110 7.906 ( 0.006 0.142 -0.027) 0.144 16.404 ( -0.522 -0.387 0.164) 0.670 16.409 ( -0.144 -0.587 -0.753) 0.965 17.091 ( -1.109 1.550 -0.031) 1.906 17.150 ( 0.778 1.884 0.288) 2.059 17.919 ( -0.376 -0.498 0.698) 0.936 17.938 ( 0.538 -0.520 -1.090) 1.322 19.028 ( -0.102 0.641 1.184) 1.350 19.037 ( 0.420 -0.000 0.673) 0.793 19.174 ( -2.130 1.079 -2.166) 3.224 19.278 ( 0.124 0.951 1.060) 1.430 19.717 ( -2.278 -1.800 -2.238) 3.665 19.945 ( 4.087 0.447 2.193) 4.660 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -9.229 -0.000 0.887) 9.272 0.673 ( -4.007 -0.000 9.707) 10.501 0.709 ( 0.079 0.000 -6.642) 6.642 0.774 ( 7.672 0.000 1.390) 7.797 1.082 ( -1.313 -0.000 -4.096) 4.301 1.101 ( -11.861 -0.000 -10.649) 15.940 1.198 ( -1.007 -0.000 0.268) 1.042 1.438 ( -0.466 -0.000 0.186) 0.502 1.489 ( -4.317 -0.000 2.275) 4.880 1.574 ( 0.843 0.000 -7.199) 7.248 1.605 ( 3.404 0.000 4.183) 5.393 1.634 ( -0.734 -0.000 -8.256) 8.289 1.789 ( 1.573 0.000 6.818) 6.997 1.819 ( 3.855 0.000 0.515) 3.889 2.024 ( -0.672 -0.000 3.559) 3.622 2.035 ( -1.430 -0.000 5.318) 5.507 2.044 ( -3.567 -0.000 -8.601) 9.312 2.126 ( -2.567 -0.000 -2.824) 3.816 2.140 ( 4.113 0.000 -5.955) 7.237 2.340 ( -2.068 -0.000 2.120) 2.962 2.356 ( -0.999 -0.000 0.739) 1.243 2.368 ( 2.779 0.000 6.749) 7.299 2.479 ( -0.757 -0.000 0.671) 1.011 2.621 ( 11.494 0.000 9.156) 14.695 2.745 ( -0.846 -0.000 3.624) 3.721 2.765 ( 0.791 0.000 -3.576) 3.662 3.013 ( -3.101 -0.000 2.115) 3.753 3.095 ( 1.593 0.000 -0.219) 1.608 3.367 ( -1.575 -0.000 -0.659) 1.707 3.376 ( -0.790 -0.000 -0.577) 0.978 3.617 ( -1.815 -0.000 -2.283) 2.917 3.656 ( 0.592 0.000 -0.125) 0.605 3.693 ( 0.440 0.000 -0.534) 0.692 3.722 ( 1.979 0.000 0.240) 1.994 3.950 ( -0.472 -0.000 -0.735) 0.873 3.981 ( 1.233 0.000 0.253) 1.259 4.453 ( -1.803 -0.000 0.198) 1.814 4.496 ( 0.804 0.000 0.285) 0.853 4.727 ( -2.683 -0.000 -4.366) 5.125 4.802 ( 1.658 0.000 2.536) 3.030 5.203 ( -5.593 -0.000 -6.113) 8.286 5.386 ( 4.759 0.000 5.333) 7.148 5.849 ( -2.487 -0.000 -2.509) 3.533 5.949 ( 3.190 0.000 3.233) 4.542 6.525 ( -0.179 -0.000 -0.410) 0.448 6.541 ( 0.772 0.000 0.766) 1.087 6.823 ( -2.738 -0.000 -3.234) 4.237 6.902 ( 1.845 0.000 2.099) 2.795 7.400 ( -0.849 -0.000 -1.021) 1.328 7.430 ( 0.815 0.000 1.042) 1.324 7.675 ( -0.790 -0.000 -1.080) 1.338 7.701 ( 0.670 0.000 0.908) 1.129 7.909 ( -0.143 -0.000 -0.012) 0.144 7.912 ( 0.015 0.000 0.011) 0.019 16.384 ( -0.678 -0.000 1.101) 1.293 16.399 ( 0.192 0.000 -2.498) 2.505 17.186 ( -1.856 -0.000 0.039) 1.856 17.233 ( 0.990 0.000 0.157) 1.002 17.896 ( -0.108 -0.000 0.638) 0.647 17.910 ( 0.893 0.000 -1.094) 1.412 19.041 ( -0.720 -0.000 0.758) 1.045 19.057 ( -0.437 -0.000 0.396) 0.590 19.280 ( -1.862 -0.000 -1.265) 2.251 19.290 ( -0.404 -0.000 1.825) 1.869 19.685 ( -4.293 -0.000 -3.155) 5.327 19.892 ( 7.757 0.000 2.875) 8.272 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -7.005 -6.412 0.780) 9.529 0.684 ( -0.449 -0.067 -4.032) 4.057 0.711 ( -6.810 -3.997 11.329) 13.809 0.858 ( 5.779 -1.743 1.363) 6.188 0.908 ( -17.673 -1.529 -14.851) 23.135 1.076 ( 1.426 -1.321 -2.646) 3.284 1.236 ( 1.819 -1.100 1.805) 2.789 1.354 ( -2.422 4.651 0.486) 5.267 1.481 ( 0.468 1.358 -2.723) 3.078 1.515 ( -2.667 0.649 -9.185) 9.586 1.566 ( -1.483 1.613 -4.861) 5.332 1.671 ( 4.467 -0.260 1.409) 4.691 1.776 ( 0.936 5.141 5.586) 7.650 1.848 ( 3.546 0.618 -0.269) 3.610 1.927 ( -3.529 2.501 -6.747) 8.015 2.026 ( 0.554 0.380 -2.031) 2.139 2.079 ( -3.264 -2.403 6.685) 7.818 2.108 ( 2.914 3.627 5.506) 7.209 2.170 ( 1.899 -2.091 -4.916) 5.670 2.339 ( -1.526 -2.637 -0.547) 3.095 2.373 ( -1.657 0.503 0.611) 1.837 2.422 ( 1.246 -2.231 2.871) 3.844 2.504 ( 0.249 -2.460 3.324) 4.143 2.729 ( 4.819 0.779 6.685) 8.278 2.743 ( 0.537 1.023 -0.836) 1.427 2.795 ( 5.176 -1.250 5.827) 7.894 3.018 ( -0.661 -1.133 2.563) 2.879 3.113 ( 1.155 -0.800 -0.153) 1.413 3.345 ( -2.166 0.056 -1.736) 2.776 3.355 ( -1.561 0.518 -2.365) 2.881 3.586 ( -2.177 0.181 -2.523) 3.337 3.655 ( 0.133 0.296 -0.125) 0.347 3.686 ( 0.379 0.948 -0.525) 1.148 3.746 ( 2.656 -0.402 1.208) 2.946 3.942 ( -0.381 0.159 -0.508) 0.655 3.997 ( 1.011 -0.662 -0.028) 1.209 4.439 ( -1.674 0.157 0.620) 1.792 4.504 ( 0.601 -0.095 0.483) 0.777 4.680 ( -2.672 0.438 -4.483) 5.237 4.825 ( 0.924 -0.312 1.516) 1.802 5.139 ( -4.146 -0.173 -4.536) 6.148 5.440 ( 3.308 0.110 3.633) 4.915 5.822 ( -1.667 0.060 -1.534) 2.266 5.985 ( 2.496 0.129 2.482) 3.522 6.525 ( -0.028 -0.213 -0.228) 0.313 6.554 ( 0.918 -0.209 1.034) 1.398 6.785 ( -2.643 0.071 -2.989) 3.991 6.922 ( 1.212 0.077 1.344) 1.812 7.389 ( -0.586 0.063 -0.643) 0.872 7.440 ( 0.630 0.028 1.011) 1.192 7.664 ( -0.567 0.116 -0.756) 0.952 7.708 ( 0.438 0.122 0.630) 0.777 7.907 ( -0.136 0.086 0.007) 0.161 7.911 ( -0.018 0.111 -0.009) 0.113 16.387 ( -0.676 -0.380 0.918) 1.202 16.389 ( -0.305 -0.392 -2.053) 2.112 17.158 ( -1.693 1.547 0.340) 2.318 17.225 ( 0.706 1.632 0.001) 1.778 17.900 ( -0.255 -0.380 0.515) 0.689 17.917 ( 1.031 -0.491 -1.165) 1.631 19.040 ( -0.364 0.087 1.092) 1.154 19.048 ( -1.243 0.394 0.306) 1.339 19.232 ( -2.582 2.087 -1.092) 3.495 19.305 ( 0.290 0.047 1.574) 1.601 19.656 ( -2.484 -1.228 -1.827) 3.318 19.960 ( 6.700 0.222 1.521) 6.874 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -6.424 -3.163 -0.837) 7.209 0.632 ( -7.048 -0.754 -4.906) 8.620 0.743 ( -10.254 -3.261 -1.923) 10.931 0.867 ( -1.926 -7.232 3.617) 8.313 0.940 ( 1.963 -4.027 0.614) 4.521 1.120 ( 5.165 -0.977 0.027) 5.257 1.201 ( -3.838 2.488 -0.618) 4.615 1.355 ( 4.841 -0.621 2.294) 5.393 1.388 ( 0.091 3.359 -9.393) 9.976 1.471 ( 0.237 2.840 -3.026) 4.157 1.528 ( -2.462 -3.122 -1.507) 4.252 1.692 ( 1.872 0.611 -2.355) 3.070 1.699 ( 1.331 7.172 6.157) 9.545 1.841 ( -1.298 2.672 -2.523) 3.897 1.863 ( 0.466 -0.936 -0.159) 1.058 2.012 ( -1.469 0.236 -2.837) 3.204 2.091 ( 4.402 4.912 5.208) 8.404 2.109 ( -3.063 -0.564 2.657) 4.094 2.178 ( 0.344 -0.080 -0.807) 0.881 2.317 ( -2.869 2.088 0.091) 3.549 2.407 ( 1.506 -5.011 -3.042) 6.053 2.481 ( 0.922 -1.565 -0.201) 1.827 2.562 ( 0.823 -1.785 2.834) 3.448 2.721 ( 0.831 1.149 -1.491) 2.058 2.791 ( -0.052 -2.132 7.199) 7.508 2.876 ( 2.742 -0.875 3.265) 4.353 3.051 ( 2.354 0.151 1.142) 2.620 3.141 ( 0.658 -1.581 1.127) 2.050 3.302 ( -2.709 0.943 -4.563) 5.389 3.328 ( -1.571 -0.187 -1.243) 2.012 3.559 ( -1.162 0.220 -1.029) 1.568 3.651 ( 0.432 0.480 0.481) 0.805 3.666 ( 0.034 1.320 0.191) 1.334 3.788 ( 2.831 -0.820 1.572) 3.340 3.938 ( 0.049 -0.168 -0.415) 0.451 4.012 ( 0.364 -0.361 -0.181) 0.544 4.429 ( -1.144 0.054 0.832) 1.415 4.512 ( 0.248 -0.070 0.306) 0.400 4.632 ( -1.548 0.784 -2.912) 3.390 4.842 ( 0.261 -0.525 0.614) 0.849 5.101 ( -2.057 -0.181 -2.218) 3.031 5.469 ( 1.530 0.172 1.548) 2.183 5.806 ( -0.750 0.080 -0.535) 0.925 6.007 ( 1.312 0.189 1.223) 1.803 6.529 ( 0.052 -0.263 -0.074) 0.278 6.571 ( 0.758 -0.289 0.959) 1.256 6.754 ( -1.703 0.019 -1.760) 2.449 6.932 ( 0.524 0.109 0.542) 0.761 7.382 ( -0.235 0.113 -0.192) 0.323 7.448 ( 0.416 0.089 0.769) 0.878 7.656 ( -0.234 0.165 -0.324) 0.432 7.711 ( 0.179 0.164 0.290) 0.378 7.905 ( -0.098 0.102 0.031) 0.145 7.908 ( -0.029 0.161 -0.033) 0.167 16.391 ( -0.020 -0.718 -0.636) 0.960 16.396 ( -0.453 -0.567 0.785) 1.070 17.116 ( -1.211 2.123 0.517) 2.498 17.193 ( 0.396 2.374 -0.232) 2.418 17.910 ( -0.288 -0.666 0.708) 1.014 17.928 ( 0.896 -0.529 -1.080) 1.499 19.031 ( -1.378 0.192 -0.054) 1.392 19.044 ( -0.051 -0.060 1.181) 1.184 19.174 ( -1.901 1.689 -0.902) 2.698 19.297 ( -0.753 1.152 0.450) 1.448 19.667 ( -0.500 -1.834 0.016) 1.901 19.998 ( 4.335 0.999 -0.048) 4.449 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -8.495 -0.000 5.401) 10.067 0.620 ( -19.329 -0.000 -1.836) 19.416 0.683 ( 2.090 0.000 -1.413) 2.523 0.697 ( -13.142 -0.000 3.468) 13.592 0.902 ( 4.656 0.000 0.798) 4.724 1.075 ( 4.544 0.000 -1.179) 4.694 1.251 ( 2.438 0.000 0.551) 2.500 1.372 ( -5.031 -0.000 -3.288) 6.010 1.446 ( 0.598 0.000 -4.828) 4.865 1.494 ( 1.390 0.000 -6.418) 6.567 1.569 ( 2.541 0.000 -2.395) 3.492 1.706 ( 3.862 0.000 -1.317) 4.081 1.824 ( -3.757 -0.000 0.825) 3.846 1.877 ( 3.961 0.000 -2.166) 4.515 1.914 ( -0.664 -0.000 -2.111) 2.213 2.024 ( -1.392 -0.000 -2.084) 2.506 2.069 ( -2.519 -0.000 7.707) 8.108 2.121 ( 1.509 0.000 -7.000) 7.161 2.202 ( 3.694 0.000 5.066) 6.270 2.307 ( -2.586 -0.000 1.502) 2.991 2.369 ( -0.021 -0.000 3.732) 3.732 2.437 ( -0.299 -0.000 3.806) 3.818 2.481 ( -0.515 -0.000 1.284) 1.383 2.754 ( 1.763 0.000 -2.144) 2.776 2.754 ( -1.222 -0.000 4.585) 4.745 2.855 ( 1.273 0.000 2.995) 3.254 3.042 ( 3.660 0.000 4.995) 6.193 3.112 ( 1.018 0.000 -1.519) 1.828 3.316 ( -2.281 -0.000 -2.311) 3.248 3.327 ( -2.147 -0.000 -4.522) 5.006 3.564 ( -1.079 -0.000 -0.931) 1.425 3.662 ( 0.878 0.000 0.831) 1.209 3.695 ( 0.031 0.000 -0.028) 0.042 3.766 ( 2.079 0.000 1.152) 2.377 3.944 ( 0.273 0.000 0.135) 0.305 3.999 ( 1.051 0.000 0.127) 1.058 4.433 ( -1.504 -0.000 1.317) 1.999 4.509 ( 0.250 0.000 0.217) 0.331 4.648 ( -1.330 -0.000 -3.187) 3.453 4.831 ( 0.035 0.000 0.518) 0.519 5.095 ( -2.105 -0.000 -2.132) 2.996 5.474 ( 1.583 0.000 1.556) 2.220 5.808 ( -0.807 -0.000 -0.431) 0.915 6.011 ( 1.413 0.000 1.201) 1.854 6.523 ( 0.128 0.000 -0.058) 0.140 6.565 ( 0.808 0.000 1.062) 1.334 6.755 ( -1.867 -0.000 -1.898) 2.662 6.934 ( 0.517 0.000 0.513) 0.728 7.385 ( -0.183 -0.000 -0.094) 0.206 7.451 ( 0.695 0.000 1.153) 1.346 7.659 ( -0.209 -0.000 -0.301) 0.367 7.714 ( 0.145 0.000 0.303) 0.336 7.907 ( -0.128 -0.000 0.025) 0.131 7.912 ( -0.047 -0.000 -0.031) 0.056 16.374 ( 0.003 0.000 -0.982) 0.982 16.384 ( -0.587 -0.000 1.271) 1.400 17.162 ( -1.538 -0.000 0.724) 1.700 17.243 ( 0.330 0.000 -0.335) 0.470 17.896 ( -0.363 -0.000 0.437) 0.568 17.916 ( 1.264 0.000 -1.048) 1.642 19.037 ( -2.103 -0.000 0.022) 2.103 19.042 ( -0.441 -0.000 1.032) 1.123 19.227 ( -2.826 -0.000 -1.306) 3.113 19.317 ( 0.832 0.000 0.921) 1.242 19.630 ( -0.325 -0.000 0.653) 0.729 20.014 ( 5.525 0.000 -0.464) 5.545 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -6.382 -6.017 4.915) 10.054 0.460 ( -15.581 -2.120 -1.301) 15.778 0.700 ( -0.292 -0.634 3.704) 3.770 0.731 ( -4.902 -6.340 9.664) 12.555 0.929 ( 0.960 -1.235 -1.340) 2.059 1.132 ( 6.145 -1.571 -0.588) 6.370 1.217 ( -2.148 3.434 -0.590) 4.093 1.374 ( 0.035 -3.174 -2.604) 4.106 1.402 ( 3.552 2.964 -3.794) 5.983 1.489 ( 3.430 -0.379 -2.427) 4.219 1.548 ( 3.403 4.988 0.661) 6.074 1.706 ( 1.042 0.629 -3.617) 3.816 1.803 ( -3.843 -1.655 -2.513) 4.881 1.836 ( -0.896 5.048 1.961) 5.490 1.886 ( 2.531 1.451 -3.093) 4.252 1.992 ( -1.470 0.989 -0.336) 1.803 2.090 ( -2.601 -0.588 3.587) 4.469 2.162 ( 1.128 -2.778 -2.040) 3.626 2.221 ( 1.850 2.340 4.407) 5.321 2.308 ( -0.733 -3.508 -1.912) 4.062 2.350 ( -1.541 3.729 1.554) 4.324 2.457 ( -0.039 -1.423 1.714) 2.228 2.519 ( -1.185 -3.176 -0.644) 3.451 2.754 ( 2.163 1.086 0.015) 2.420 2.784 ( -0.938 -1.607 5.496) 5.803 2.855 ( -3.205 -1.063 -1.979) 3.914 3.067 ( -0.854 0.087 -2.926) 3.050 3.111 ( -1.436 -1.233 -2.833) 3.407 3.282 ( -0.558 0.735 -2.273) 2.453 3.306 ( -0.058 -0.528 -1.244) 1.352 3.564 ( 1.121 0.252 1.771) 2.111 3.679 ( 2.705 0.809 2.044) 3.485 3.689 ( -0.169 0.864 1.134) 1.436 3.794 ( 1.639 -1.012 0.364) 1.960 3.945 ( 0.766 0.497 0.792) 1.208 4.012 ( 0.875 -0.195 0.329) 0.955 4.429 ( -1.002 0.133 1.702) 1.979 4.509 ( -0.284 -0.140 -0.394) 0.505 4.633 ( 1.093 0.446 -0.313) 1.221 4.833 ( -0.556 -0.432 -0.222) 0.738 5.086 ( 0.218 -0.156 0.505) 0.571 5.479 ( -0.317 0.129 -0.676) 0.757 5.805 ( 0.088 0.060 0.602) 0.612 6.018 ( 0.101 0.207 -0.328) 0.401 6.526 ( 0.233 -0.169 0.106) 0.307 6.574 ( 0.127 -0.155 0.378) 0.428 6.743 ( 0.083 -0.011 0.377) 0.386 6.935 ( -0.200 0.068 -0.322) 0.385 7.385 ( 0.243 0.120 0.470) 0.542 7.460 ( 0.705 0.357 0.809) 1.131 7.657 ( 0.130 0.135 0.122) 0.223 7.714 ( -0.138 0.110 -0.051) 0.184 7.906 ( -0.092 0.070 0.048) 0.125 7.910 ( -0.055 0.104 -0.055) 0.129 16.386 ( 1.782 -0.287 0.949) 2.040 16.390 ( -0.373 -0.316 1.486) 1.565 17.142 ( -1.121 1.453 0.997) 2.088 17.228 ( -0.002 1.570 -0.728) 1.731 17.901 ( -0.152 -0.484 0.947) 1.074 17.925 ( 1.241 -0.304 -0.912) 1.570 19.019 ( -1.914 0.144 -0.113) 1.923 19.044 ( -0.602 -0.125 0.638) 0.886 19.185 ( -1.971 1.424 -0.489) 2.480 19.304 ( -1.854 0.903 -1.717) 2.684 19.655 ( 1.798 -0.891 3.268) 3.835 20.038 ( 3.313 0.643 -2.539) 4.223 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -4.861 -0.000 9.196) 10.402 0.394 ( -3.744 -0.000 11.329) 11.932 0.668 ( -5.050 -0.000 12.466) 13.450 0.742 ( 3.250 0.000 2.191) 3.919 0.893 ( -2.701 -0.000 -1.197) 2.954 1.153 ( 2.909 0.000 -2.591) 3.896 1.295 ( 1.014 0.000 1.215) 1.583 1.296 ( 1.861 0.000 1.209) 2.219 1.469 ( 5.632 0.000 0.175) 5.635 1.499 ( 4.584 0.000 -2.891) 5.419 1.653 ( 5.865 0.000 3.491) 6.825 1.679 ( -1.660 -0.000 -7.417) 7.600 1.737 ( -3.800 -0.000 -3.046) 4.871 1.878 ( -2.852 -0.000 -2.032) 3.502 1.880 ( -0.070 -0.000 -4.319) 4.320 2.020 ( 1.382 0.000 2.479) 2.838 2.056 ( -1.477 -0.000 -4.785) 5.008 2.115 ( 0.146 0.000 5.613) 5.614 2.248 ( -1.198 -0.000 1.466) 1.894 2.290 ( -2.104 -0.000 1.546) 2.611 2.401 ( -0.515 -0.000 2.320) 2.376 2.455 ( -0.705 -0.000 2.189) 2.299 2.455 ( -2.623 -0.000 -1.635) 3.091 2.781 ( -5.734 -0.000 -3.499) 6.718 2.784 ( 2.881 0.000 0.367) 2.904 2.791 ( -1.897 -0.000 1.775) 2.598 2.997 ( -6.414 -0.000 -7.332) 9.742 3.066 ( -2.573 -0.000 -5.613) 6.175 3.281 ( 0.214 0.000 -0.739) 0.770 3.308 ( 1.901 0.000 -0.248) 1.917 3.598 ( 2.771 0.000 3.814) 4.715 3.702 ( -0.174 -0.000 1.877) 1.885 3.734 ( 5.265 0.000 0.736) 5.316 3.789 ( 0.101 0.000 -0.376) 0.389 3.968 ( 1.625 0.000 1.749) 2.387 4.022 ( 1.067 0.000 0.653) 1.251 4.434 ( -0.616 -0.000 2.204) 2.288 4.501 ( -0.545 -0.000 -0.837) 0.999 4.658 ( 3.054 0.000 1.907) 3.600 4.821 ( -0.883 -0.000 -0.778) 1.177 5.105 ( 2.609 0.000 3.332) 4.231 5.462 ( -1.994 -0.000 -2.742) 3.390 5.816 ( 0.923 0.000 1.662) 1.901 6.011 ( -1.217 -0.000 -2.104) 2.430 6.528 ( 0.389 0.000 0.312) 0.498 6.571 ( -0.484 -0.000 -0.282) 0.560 6.761 ( 2.265 0.000 2.276) 3.211 6.927 ( -0.913 -0.000 -1.137) 1.458 7.394 ( 0.678 0.000 1.107) 1.298 7.474 ( 0.958 0.000 -0.191) 0.977 7.662 ( 0.371 0.000 0.448) 0.582 7.712 ( -0.414 -0.000 -0.383) 0.563 7.906 ( -0.061 -0.000 0.071) 0.094 7.910 ( -0.059 -0.000 -0.078) 0.098 16.394 ( -0.203 -0.000 2.016) 2.026 16.421 ( 4.674 0.000 1.067) 4.794 17.154 ( -0.626 -0.000 1.481) 1.608 17.236 ( -0.334 -0.000 -1.153) 1.200 17.904 ( 0.455 0.000 1.401) 1.473 17.928 ( 1.270 0.000 -0.803) 1.503 19.008 ( -1.322 -0.000 0.188) 1.335 19.038 ( -1.071 -0.000 0.090) 1.075 19.180 ( -1.376 -0.000 -0.669) 1.530 19.272 ( -4.329 -0.000 -3.642) 5.658 19.694 ( 3.212 0.000 5.840) 6.665 20.043 ( 1.198 0.000 -4.634) 4.786 =================== 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 3/21120 10.0 10.070 4.381 7.721 0.000 2.962 0.000 3/21120 20.0 3.542 1.638 2.963 0.000 1.203 0.000 3/21120 30.0 2.135 0.996 1.881 0.000 0.770 0.000 3/21120 40.0 1.557 0.724 1.427 0.000 0.592 0.000 3/21120 50.0 1.243 0.571 1.171 0.000 0.495 0.000 3/21120 60.0 1.042 0.473 1.002 0.000 0.432 0.000 3/21120 70.0 0.903 0.404 0.881 0.000 0.387 0.000 3/21120 80.0 0.798 0.353 0.788 0.000 0.352 0.000 3/21120 90.0 0.717 0.313 0.714 0.000 0.324 0.000 3/21120 100.0 0.652 0.282 0.654 0.000 0.300 0.000 3/21120 110.0 0.598 0.256 0.603 0.000 0.279 0.000 3/21120 120.0 0.552 0.234 0.559 0.000 0.262 0.000 3/21120 130.0 0.513 0.216 0.522 0.000 0.246 0.000 3/21120 140.0 0.479 0.201 0.489 0.000 0.232 0.000 3/21120 150.0 0.450 0.188 0.461 0.000 0.220 0.000 3/21120 160.0 0.424 0.176 0.435 0.000 0.209 0.000 3/21120 170.0 0.401 0.165 0.412 0.000 0.199 0.000 3/21120 180.0 0.380 0.156 0.392 0.000 0.190 0.000 3/21120 190.0 0.362 0.148 0.373 0.000 0.181 0.000 3/21120 200.0 0.345 0.141 0.356 0.000 0.174 0.000 3/21120 210.0 0.329 0.134 0.341 0.000 0.167 0.000 3/21120 220.0 0.315 0.128 0.327 0.000 0.160 0.000 3/21120 230.0 0.302 0.122 0.314 0.000 0.154 0.000 3/21120 240.0 0.291 0.117 0.302 0.000 0.149 0.000 3/21120 250.0 0.280 0.113 0.291 0.000 0.143 0.000 3/21120 260.0 0.269 0.108 0.280 0.000 0.139 0.000 3/21120 270.0 0.260 0.104 0.271 0.000 0.134 0.000 3/21120 280.0 0.251 0.101 0.262 0.000 0.130 0.000 3/21120 290.0 0.243 0.097 0.253 0.000 0.126 0.000 3/21120 300.0 0.235 0.094 0.246 0.000 0.122 0.000 3/21120 310.0 0.228 0.091 0.238 0.000 0.119 0.000 3/21120 320.0 0.221 0.088 0.231 0.000 0.115 0.000 3/21120 330.0 0.215 0.085 0.225 0.000 0.112 0.000 3/21120 340.0 0.209 0.083 0.219 0.000 0.109 0.000 3/21120 350.0 0.203 0.081 0.213 0.000 0.107 0.000 3/21120 360.0 0.198 0.078 0.207 0.000 0.104 0.000 3/21120 370.0 0.193 0.076 0.202 0.000 0.101 0.000 3/21120 380.0 0.188 0.074 0.197 0.000 0.099 0.000 3/21120 390.0 0.183 0.072 0.192 0.000 0.097 0.000 3/21120 400.0 0.179 0.071 0.188 0.000 0.094 0.000 3/21120 410.0 0.175 0.069 0.183 0.000 0.092 0.000 3/21120 420.0 0.171 0.067 0.179 0.000 0.090 0.000 3/21120 430.0 0.167 0.066 0.175 0.000 0.088 0.000 3/21120 440.0 0.163 0.064 0.172 0.000 0.087 0.000 3/21120 450.0 0.160 0.063 0.168 0.000 0.085 0.000 3/21120 460.0 0.157 0.061 0.164 0.000 0.083 0.000 3/21120 470.0 0.153 0.060 0.161 0.000 0.082 0.000 3/21120 480.0 0.150 0.059 0.158 0.000 0.080 0.000 3/21120 490.0 0.147 0.058 0.155 0.000 0.078 0.000 3/21120 500.0 0.145 0.057 0.152 0.000 0.077 0.000 3/21120 510.0 0.142 0.055 0.149 0.000 0.076 0.000 3/21120 520.0 0.139 0.054 0.146 0.000 0.074 0.000 3/21120 530.0 0.137 0.053 0.144 0.000 0.073 0.000 3/21120 540.0 0.134 0.052 0.141 0.000 0.072 0.000 3/21120 550.0 0.132 0.051 0.139 0.000 0.071 0.000 3/21120 560.0 0.130 0.051 0.136 0.000 0.069 0.000 3/21120 570.0 0.128 0.050 0.134 0.000 0.068 0.000 3/21120 580.0 0.125 0.049 0.132 0.000 0.067 0.000 3/21120 590.0 0.123 0.048 0.130 0.000 0.066 0.000 3/21120 600.0 0.121 0.047 0.128 0.000 0.065 0.000 3/21120 610.0 0.119 0.046 0.126 0.000 0.064 0.000 3/21120 620.0 0.118 0.046 0.124 0.000 0.063 0.000 3/21120 630.0 0.116 0.045 0.122 0.000 0.062 0.000 3/21120 640.0 0.114 0.044 0.120 0.000 0.061 0.000 3/21120 650.0 0.112 0.044 0.118 0.000 0.060 0.000 3/21120 660.0 0.111 0.043 0.117 0.000 0.060 0.000 3/21120 670.0 0.109 0.042 0.115 0.000 0.059 0.000 3/21120 680.0 0.108 0.042 0.113 0.000 0.058 0.000 3/21120 690.0 0.106 0.041 0.112 0.000 0.057 0.000 3/21120 700.0 0.105 0.040 0.110 0.000 0.056 0.000 3/21120 710.0 0.103 0.040 0.109 0.000 0.056 0.000 3/21120 720.0 0.102 0.039 0.107 0.000 0.055 0.000 3/21120 730.0 0.100 0.039 0.106 0.000 0.054 0.000 3/21120 740.0 0.099 0.038 0.105 0.000 0.054 0.000 3/21120 750.0 0.098 0.038 0.103 0.000 0.053 0.000 3/21120 760.0 0.097 0.037 0.102 0.000 0.052 0.000 3/21120 770.0 0.095 0.037 0.101 0.000 0.052 0.000 3/21120 780.0 0.094 0.036 0.099 0.000 0.051 0.000 3/21120 790.0 0.093 0.036 0.098 0.000 0.050 0.000 3/21120 800.0 0.092 0.035 0.097 0.000 0.050 0.000 3/21120 810.0 0.091 0.035 0.096 0.000 0.049 0.000 3/21120 820.0 0.090 0.035 0.095 0.000 0.049 0.000 3/21120 830.0 0.089 0.034 0.094 0.000 0.048 0.000 3/21120 840.0 0.088 0.034 0.093 0.000 0.048 0.000 3/21120 850.0 0.087 0.033 0.092 0.000 0.047 0.000 3/21120 860.0 0.086 0.033 0.091 0.000 0.047 0.000 3/21120 870.0 0.085 0.033 0.090 0.000 0.046 0.000 3/21120 880.0 0.084 0.032 0.089 0.000 0.046 0.000 3/21120 890.0 0.083 0.032 0.088 0.000 0.045 0.000 3/21120 900.0 0.082 0.032 0.087 0.000 0.045 0.000 3/21120 910.0 0.081 0.031 0.086 0.000 0.044 0.000 3/21120 920.0 0.080 0.031 0.085 0.000 0.044 0.000 3/21120 930.0 0.079 0.031 0.084 0.000 0.043 0.000 3/21120 940.0 0.079 0.030 0.083 0.000 0.043 0.000 3/21120 950.0 0.078 0.030 0.082 0.000 0.042 0.000 3/21120 960.0 0.077 0.030 0.081 0.000 0.042 0.000 3/21120 970.0 0.076 0.029 0.081 0.000 0.042 0.000 3/21120 980.0 0.076 0.029 0.080 0.000 0.041 0.000 3/21120 990.0 0.075 0.029 0.079 0.000 0.041 0.000 3/21120 1000.0 0.074 0.028 0.078 0.000 0.040 0.000 3/21120 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:01:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|