----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:10:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.077776221399833 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -1.517740944999939 0.000000000000000 5.592353337301812 Atomic positions (fractional): *1 B 0.71333385246344 0.23150021191559 0.68891978771689 10.811 2 B 0.28666614753656 0.73150021191559 0.81108021228311 10.811 3 B 0.28666614753656 0.76849978808441 0.31108021228311 10.811 4 B 0.71333385246344 0.26849978808441 0.18891978771689 10.811 *5 S 0.94043205160552 0.17838448121848 0.17456612858338 32.065 6 S 0.05956794839448 0.67838448121848 0.32543387141662 32.065 7 S 0.05956794839448 0.82161551878152 0.82543387141662 32.065 8 S 0.94043205160552 0.32161551878152 0.67456612858338 32.065 *9 S 0.81544244773717 0.40413515428503 0.35388533858975 32.065 10 S 0.18455755226283 0.90413515428503 0.14611466141026 32.065 11 S 0.18455755226283 0.59586484571497 0.64611466141025 32.065 12 S 0.81544244773717 0.09586484571497 0.85388533858975 32.065 *13 S 0.55971491194916 0.19548443282340 0.37671175498582 32.065 14 S 0.44028508805084 0.69548443282340 0.12328824501418 32.065 15 S 0.44028508805084 0.80451556717660 0.62328824501418 32.065 16 S 0.55971491194916 0.30451556717660 0.87671175498582 32.065 *17 Rb 0.26061209292648 0.08012199085793 0.70292659820612 85.468 18 Rb 0.73938790707352 0.58012199085793 0.79707340179388 85.468 19 Rb 0.73938790707352 0.91987800914207 0.29707340179388 85.468 20 Rb 0.26061209292648 0.41987800914207 0.20292659820612 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.077776221399833 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -1.517740944999939 0.000000000000000 5.592353337301812 Atomic positions (fractional): *1 B 0.71333385246344 0.23150021191559 0.68891978771689 10.811 > 1 2 B 0.28666614753656 0.73150021191559 0.81108021228311 10.811 > 2 3 B 0.28666614753656 0.76849978808441 0.31108021228311 10.811 > 3 4 B 0.71333385246344 0.26849978808441 0.18891978771689 10.811 > 4 *5 S 0.94043205160552 0.17838448121848 0.17456612858338 32.065 > 5 6 S 0.05956794839448 0.67838448121848 0.32543387141662 32.065 > 6 7 S 0.05956794839448 0.82161551878152 0.82543387141662 32.065 > 7 8 S 0.94043205160552 0.32161551878152 0.67456612858338 32.065 > 8 *9 S 0.81544244773717 0.40413515428503 0.35388533858975 32.065 > 9 10 S 0.18455755226283 0.90413515428503 0.14611466141026 32.065 > 10 11 S 0.18455755226283 0.59586484571497 0.64611466141025 32.065 > 11 12 S 0.81544244773717 0.09586484571497 0.85388533858975 32.065 > 12 *13 S 0.55971491194916 0.19548443282340 0.37671175498582 32.065 > 13 14 S 0.44028508805084 0.69548443282340 0.12328824501418 32.065 > 14 15 S 0.44028508805084 0.80451556717660 0.62328824501418 32.065 > 15 16 S 0.55971491194916 0.30451556717660 0.87671175498582 32.065 > 16 *17 Rb 0.26061209292648 0.08012199085793 0.70292659820612 85.468 > 17 18 Rb 0.73938790707352 0.58012199085793 0.79707340179388 85.468 > 18 19 Rb 0.73938790707352 0.91987800914207 0.29707340179388 85.468 > 19 20 Rb 0.26061209292648 0.41987800914207 0.20292659820612 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.155552442799666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -4.553222834999817 0.000000000000000 16.777060011905437 Atomic positions (fractional): *1 B 0.35666692623172 0.23150021191559 0.22963992923896 10.811 > 1 2 B 0.85666692623172 0.23150021191559 0.22963992923896 10.811 > 1 3 B 0.35666692623172 0.23150021191559 0.56297326257230 10.811 > 1 4 B 0.85666692623172 0.23150021191559 0.56297326257230 10.811 > 1 5 B 0.35666692623172 0.23150021191559 0.89630659590563 10.811 > 1 6 B 0.85666692623172 0.23150021191559 0.89630659590563 10.811 > 1 7 B 0.14333307376828 0.73150021191559 0.27036007076104 10.811 > 2 8 B 0.64333307376828 0.73150021191559 0.27036007076104 10.811 > 2 9 B 0.14333307376828 0.73150021191559 0.60369340409437 10.811 > 2 10 B 0.64333307376828 0.73150021191559 0.60369340409437 10.811 > 2 11 B 0.14333307376828 0.73150021191559 0.93702673742770 10.811 > 2 12 B 0.64333307376828 0.73150021191559 0.93702673742770 10.811 > 2 13 B 0.14333307376828 0.76849978808441 0.10369340409437 10.811 > 3 14 B 0.64333307376828 0.76849978808441 0.10369340409437 10.811 > 3 15 B 0.14333307376828 0.76849978808441 0.43702673742770 10.811 > 3 16 B 0.64333307376828 0.76849978808441 0.43702673742770 10.811 > 3 17 B 0.14333307376828 0.76849978808441 0.77036007076104 10.811 > 3 18 B 0.64333307376828 0.76849978808441 0.77036007076104 10.811 > 3 19 B 0.35666692623172 0.26849978808441 0.06297326257230 10.811 > 4 20 B 0.85666692623172 0.26849978808441 0.06297326257230 10.811 > 4 21 B 0.35666692623172 0.26849978808441 0.39630659590563 10.811 > 4 22 B 0.85666692623172 0.26849978808441 0.39630659590563 10.811 > 4 23 B 0.35666692623172 0.26849978808441 0.72963992923896 10.811 > 4 24 B 0.85666692623172 0.26849978808441 0.72963992923896 10.811 > 4 *25 S 0.47021602580276 0.17838448121848 0.05818870952779 32.065 > 5 26 S 0.97021602580276 0.17838448121848 0.05818870952779 32.065 > 5 27 S 0.47021602580276 0.17838448121848 0.39152204286113 32.065 > 5 28 S 0.97021602580276 0.17838448121848 0.39152204286113 32.065 > 5 29 S 0.47021602580276 0.17838448121848 0.72485537619446 32.065 > 5 30 S 0.97021602580276 0.17838448121848 0.72485537619446 32.065 > 5 31 S 0.02978397419724 0.67838448121848 0.10847795713887 32.065 > 6 32 S 0.52978397419724 0.67838448121848 0.10847795713887 32.065 > 6 33 S 0.02978397419724 0.67838448121848 0.44181129047221 32.065 > 6 34 S 0.52978397419724 0.67838448121848 0.44181129047221 32.065 > 6 35 S 0.02978397419724 0.67838448121848 0.77514462380554 32.065 > 6 36 S 0.52978397419724 0.67838448121848 0.77514462380554 32.065 > 6 37 S 0.02978397419724 0.82161551878152 0.27514462380554 32.065 > 7 38 S 0.52978397419724 0.82161551878152 0.27514462380554 32.065 > 7 39 S 0.02978397419724 0.82161551878152 0.60847795713887 32.065 > 7 40 S 0.52978397419724 0.82161551878152 0.60847795713887 32.065 > 7 41 S 0.02978397419724 0.82161551878152 0.94181129047221 32.065 > 7 42 S 0.52978397419724 0.82161551878152 0.94181129047221 32.065 > 7 43 S 0.47021602580276 0.32161551878152 0.22485537619446 32.065 > 8 44 S 0.97021602580276 0.32161551878152 0.22485537619446 32.065 > 8 45 S 0.47021602580276 0.32161551878152 0.55818870952779 32.065 > 8 46 S 0.97021602580276 0.32161551878152 0.55818870952779 32.065 > 8 47 S 0.47021602580276 0.32161551878152 0.89152204286113 32.065 > 8 48 S 0.97021602580276 0.32161551878152 0.89152204286113 32.065 > 8 *49 S 0.40772122386858 0.40413515428503 0.11796177952992 32.065 > 9 50 S 0.90772122386858 0.40413515428503 0.11796177952992 32.065 > 9 51 S 0.40772122386858 0.40413515428503 0.45129511286325 32.065 > 9 52 S 0.90772122386858 0.40413515428503 0.45129511286325 32.065 > 9 53 S 0.40772122386858 0.40413515428503 0.78462844619658 32.065 > 9 54 S 0.90772122386858 0.40413515428503 0.78462844619658 32.065 > 9 55 S 0.09227877613142 0.90413515428503 0.04870488713675 32.065 > 10 56 S 0.59227877613142 0.90413515428503 0.04870488713675 32.065 > 10 57 S 0.09227877613142 0.90413515428503 0.38203822047009 32.065 > 10 58 S 0.59227877613142 0.90413515428503 0.38203822047009 32.065 > 10 59 S 0.09227877613142 0.90413515428503 0.71537155380342 32.065 > 10 60 S 0.59227877613142 0.90413515428503 0.71537155380342 32.065 > 10 61 S 0.09227877613142 0.59586484571497 0.21537155380342 32.065 > 11 62 S 0.59227877613142 0.59586484571497 0.21537155380342 32.065 > 11 63 S 0.09227877613142 0.59586484571497 0.54870488713675 32.065 > 11 64 S 0.59227877613142 0.59586484571497 0.54870488713675 32.065 > 11 65 S 0.09227877613142 0.59586484571497 0.88203822047008 32.065 > 11 66 S 0.59227877613142 0.59586484571497 0.88203822047008 32.065 > 11 67 S 0.40772122386858 0.09586484571497 0.28462844619658 32.065 > 12 68 S 0.90772122386858 0.09586484571497 0.28462844619658 32.065 > 12 69 S 0.40772122386858 0.09586484571497 0.61796177952992 32.065 > 12 70 S 0.90772122386858 0.09586484571497 0.61796177952992 32.065 > 12 71 S 0.40772122386858 0.09586484571497 0.95129511286325 32.065 > 12 72 S 0.90772122386858 0.09586484571497 0.95129511286325 32.065 > 12 *73 S 0.27985745597458 0.19548443282340 0.12557058499527 32.065 > 13 74 S 0.77985745597458 0.19548443282340 0.12557058499527 32.065 > 13 75 S 0.27985745597458 0.19548443282340 0.45890391832861 32.065 > 13 76 S 0.77985745597458 0.19548443282340 0.45890391832861 32.065 > 13 77 S 0.27985745597458 0.19548443282340 0.79223725166194 32.065 > 13 78 S 0.77985745597458 0.19548443282340 0.79223725166194 32.065 > 13 79 S 0.22014254402542 0.69548443282340 0.04109608167139 32.065 > 14 80 S 0.72014254402542 0.69548443282340 0.04109608167139 32.065 > 14 81 S 0.22014254402542 0.69548443282340 0.37442941500473 32.065 > 14 82 S 0.72014254402542 0.69548443282340 0.37442941500473 32.065 > 14 83 S 0.22014254402542 0.69548443282340 0.70776274833806 32.065 > 14 84 S 0.72014254402542 0.69548443282340 0.70776274833806 32.065 > 14 85 S 0.22014254402542 0.80451556717660 0.20776274833806 32.065 > 15 86 S 0.72014254402542 0.80451556717660 0.20776274833806 32.065 > 15 87 S 0.22014254402542 0.80451556717660 0.54109608167139 32.065 > 15 88 S 0.72014254402542 0.80451556717660 0.54109608167139 32.065 > 15 89 S 0.22014254402542 0.80451556717660 0.87442941500473 32.065 > 15 90 S 0.72014254402542 0.80451556717660 0.87442941500473 32.065 > 15 91 S 0.27985745597458 0.30451556717660 0.29223725166194 32.065 > 16 92 S 0.77985745597458 0.30451556717660 0.29223725166194 32.065 > 16 93 S 0.27985745597458 0.30451556717660 0.62557058499527 32.065 > 16 94 S 0.77985745597458 0.30451556717660 0.62557058499527 32.065 > 16 95 S 0.27985745597458 0.30451556717660 0.95890391832861 32.065 > 16 96 S 0.77985745597458 0.30451556717660 0.95890391832861 32.065 > 16 *97 Rb 0.13030604646324 0.08012199085793 0.23430886606871 85.468 > 17 98 Rb 0.63030604646324 0.08012199085793 0.23430886606871 85.468 > 17 99 Rb 0.13030604646324 0.08012199085793 0.56764219940204 85.468 > 17 100 Rb 0.63030604646324 0.08012199085793 0.56764219940204 85.468 > 17 101 Rb 0.13030604646324 0.08012199085793 0.90097553273537 85.468 > 17 102 Rb 0.63030604646324 0.08012199085793 0.90097553273537 85.468 > 17 103 Rb 0.36969395353676 0.58012199085793 0.26569113393129 85.468 > 18 104 Rb 0.86969395353676 0.58012199085793 0.26569113393129 85.468 > 18 105 Rb 0.36969395353676 0.58012199085793 0.59902446726463 85.468 > 18 106 Rb 0.86969395353676 0.58012199085793 0.59902446726463 85.468 > 18 107 Rb 0.36969395353676 0.58012199085793 0.93235780059796 85.468 > 18 108 Rb 0.86969395353676 0.58012199085793 0.93235780059796 85.468 > 18 109 Rb 0.36969395353676 0.91987800914207 0.09902446726463 85.468 > 19 110 Rb 0.86969395353676 0.91987800914207 0.09902446726463 85.468 > 19 111 Rb 0.36969395353676 0.91987800914207 0.43235780059796 85.468 > 19 112 Rb 0.86969395353676 0.91987800914207 0.43235780059796 85.468 > 19 113 Rb 0.36969395353676 0.91987800914207 0.76569113393129 85.468 > 19 114 Rb 0.86969395353676 0.91987800914207 0.76569113393129 85.468 > 19 115 Rb 0.13030604646324 0.41987800914207 0.06764219940204 85.468 > 20 116 Rb 0.63030604646324 0.41987800914207 0.06764219940204 85.468 > 20 117 Rb 0.13030604646324 0.41987800914207 0.40097553273537 85.468 > 20 118 Rb 0.63030604646324 0.41987800914207 0.40097553273537 85.468 > 20 119 Rb 0.13030604646324 0.41987800914207 0.73430886606871 85.468 > 20 120 Rb 0.63030604646324 0.41987800914207 0.73430886606871 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5779643 0.0000000 -0.2633860 0.0000000 3.7775421 0.0000000 -0.2633877 0.0000000 4.9824137 -------------------------- Born effective charges -------------------------- 1 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 2 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 3 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 4 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 5 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 6 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 7 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 8 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 9 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 10 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 11 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 12 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 13 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 14 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 15 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 16 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 17 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 18 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 19 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 20 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 2.721 Solver_block: 200 / 640 - Time: 2.344 Solver_block: 300 / 640 - Time: 1.429 Solver_block: 400 / 640 - Time: 1.011 Solver_block: 500 / 640 - Time: 2.503 Solver_block: 600 / 640 - Time: 1.274 Solver_block: 640 / 640 - Time: 0.891 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.842 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2820 Number of blocks in projector: 2820 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: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 600 / 600 (1) 95 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 340 Use standard eigh solver. Tree of FC basis block matrices: - (2820, 2776), data: False |-- (340, 335), data: True |-- (340, 335), data: True |-- (340, 335), data: True |-- (600, 591), data: False |-- (600, 5), data: (600, 14) @ (14, 5) |-- (100, 95), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:11:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:11:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.077776221399833 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -1.517740944999939 0.000000000000000 5.592353337301812 Atomic positions (fractional): 1 B 0.71333385246344 0.23150021191559 0.68891978771689 10.811 2 B 0.28666614753656 0.73150021191559 0.81108021228311 10.811 3 B 0.28666614753656 0.76849978808441 0.31108021228311 10.811 4 B 0.71333385246344 0.26849978808441 0.18891978771689 10.811 5 S 0.94043205160552 0.17838448121848 0.17456612858338 32.065 6 S 0.05956794839448 0.67838448121848 0.32543387141662 32.065 7 S 0.05956794839448 0.82161551878152 0.82543387141662 32.065 8 S 0.94043205160552 0.32161551878152 0.67456612858338 32.065 9 S 0.81544244773717 0.40413515428503 0.35388533858975 32.065 10 S 0.18455755226283 0.90413515428503 0.14611466141026 32.065 11 S 0.18455755226283 0.59586484571497 0.64611466141025 32.065 12 S 0.81544244773717 0.09586484571497 0.85388533858975 32.065 13 S 0.55971491194916 0.19548443282340 0.37671175498582 32.065 14 S 0.44028508805084 0.69548443282340 0.12328824501418 32.065 15 S 0.44028508805084 0.80451556717660 0.62328824501418 32.065 16 S 0.55971491194916 0.30451556717660 0.87671175498582 32.065 17 Rb 0.26061209292648 0.08012199085793 0.70292659820612 85.468 18 Rb 0.73938790707352 0.58012199085793 0.79707340179388 85.468 19 Rb 0.73938790707352 0.91987800914207 0.29707340179388 85.468 20 Rb 0.26061209292648 0.41987800914207 0.20292659820612 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.155552442799666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -4.553222834999817 0.000000000000000 16.777060011905437 Atomic positions (fractional): 1 B 0.35666692623172 0.23150021191559 0.22963992923896 10.811 > 1 2 B 0.85666692623172 0.23150021191559 0.22963992923896 10.811 > 1 3 B 0.35666692623172 0.23150021191559 0.56297326257230 10.811 > 1 4 B 0.85666692623172 0.23150021191559 0.56297326257230 10.811 > 1 5 B 0.35666692623172 0.23150021191559 0.89630659590563 10.811 > 1 6 B 0.85666692623172 0.23150021191559 0.89630659590563 10.811 > 1 7 B 0.14333307376828 0.73150021191559 0.27036007076104 10.811 > 7 8 B 0.64333307376828 0.73150021191559 0.27036007076104 10.811 > 7 9 B 0.14333307376828 0.73150021191559 0.60369340409437 10.811 > 7 10 B 0.64333307376828 0.73150021191559 0.60369340409437 10.811 > 7 11 B 0.14333307376828 0.73150021191559 0.93702673742770 10.811 > 7 12 B 0.64333307376828 0.73150021191559 0.93702673742770 10.811 > 7 13 B 0.14333307376828 0.76849978808441 0.10369340409437 10.811 > 13 14 B 0.64333307376828 0.76849978808441 0.10369340409437 10.811 > 13 15 B 0.14333307376828 0.76849978808441 0.43702673742770 10.811 > 13 16 B 0.64333307376828 0.76849978808441 0.43702673742770 10.811 > 13 17 B 0.14333307376828 0.76849978808441 0.77036007076104 10.811 > 13 18 B 0.64333307376828 0.76849978808441 0.77036007076104 10.811 > 13 19 B 0.35666692623172 0.26849978808441 0.06297326257230 10.811 > 19 20 B 0.85666692623172 0.26849978808441 0.06297326257230 10.811 > 19 21 B 0.35666692623172 0.26849978808441 0.39630659590563 10.811 > 19 22 B 0.85666692623172 0.26849978808441 0.39630659590563 10.811 > 19 23 B 0.35666692623172 0.26849978808441 0.72963992923896 10.811 > 19 24 B 0.85666692623172 0.26849978808441 0.72963992923896 10.811 > 19 25 S 0.47021602580276 0.17838448121848 0.05818870952779 32.065 > 25 26 S 0.97021602580276 0.17838448121848 0.05818870952779 32.065 > 25 27 S 0.47021602580276 0.17838448121848 0.39152204286113 32.065 > 25 28 S 0.97021602580276 0.17838448121848 0.39152204286113 32.065 > 25 29 S 0.47021602580276 0.17838448121848 0.72485537619446 32.065 > 25 30 S 0.97021602580276 0.17838448121848 0.72485537619446 32.065 > 25 31 S 0.02978397419724 0.67838448121848 0.10847795713887 32.065 > 31 32 S 0.52978397419724 0.67838448121848 0.10847795713887 32.065 > 31 33 S 0.02978397419724 0.67838448121848 0.44181129047221 32.065 > 31 34 S 0.52978397419724 0.67838448121848 0.44181129047221 32.065 > 31 35 S 0.02978397419724 0.67838448121848 0.77514462380554 32.065 > 31 36 S 0.52978397419724 0.67838448121848 0.77514462380554 32.065 > 31 37 S 0.02978397419724 0.82161551878152 0.27514462380554 32.065 > 37 38 S 0.52978397419724 0.82161551878152 0.27514462380554 32.065 > 37 39 S 0.02978397419724 0.82161551878152 0.60847795713887 32.065 > 37 40 S 0.52978397419724 0.82161551878152 0.60847795713887 32.065 > 37 41 S 0.02978397419724 0.82161551878152 0.94181129047221 32.065 > 37 42 S 0.52978397419724 0.82161551878152 0.94181129047221 32.065 > 37 43 S 0.47021602580276 0.32161551878152 0.22485537619446 32.065 > 43 44 S 0.97021602580276 0.32161551878152 0.22485537619446 32.065 > 43 45 S 0.47021602580276 0.32161551878152 0.55818870952779 32.065 > 43 46 S 0.97021602580276 0.32161551878152 0.55818870952779 32.065 > 43 47 S 0.47021602580276 0.32161551878152 0.89152204286113 32.065 > 43 48 S 0.97021602580276 0.32161551878152 0.89152204286113 32.065 > 43 49 S 0.40772122386858 0.40413515428503 0.11796177952992 32.065 > 49 50 S 0.90772122386858 0.40413515428503 0.11796177952992 32.065 > 49 51 S 0.40772122386858 0.40413515428503 0.45129511286325 32.065 > 49 52 S 0.90772122386858 0.40413515428503 0.45129511286325 32.065 > 49 53 S 0.40772122386858 0.40413515428503 0.78462844619658 32.065 > 49 54 S 0.90772122386858 0.40413515428503 0.78462844619658 32.065 > 49 55 S 0.09227877613142 0.90413515428503 0.04870488713675 32.065 > 55 56 S 0.59227877613142 0.90413515428503 0.04870488713675 32.065 > 55 57 S 0.09227877613142 0.90413515428503 0.38203822047009 32.065 > 55 58 S 0.59227877613142 0.90413515428503 0.38203822047009 32.065 > 55 59 S 0.09227877613142 0.90413515428503 0.71537155380342 32.065 > 55 60 S 0.59227877613142 0.90413515428503 0.71537155380342 32.065 > 55 61 S 0.09227877613142 0.59586484571497 0.21537155380342 32.065 > 61 62 S 0.59227877613142 0.59586484571497 0.21537155380342 32.065 > 61 63 S 0.09227877613142 0.59586484571497 0.54870488713675 32.065 > 61 64 S 0.59227877613142 0.59586484571497 0.54870488713675 32.065 > 61 65 S 0.09227877613142 0.59586484571497 0.88203822047008 32.065 > 61 66 S 0.59227877613142 0.59586484571497 0.88203822047008 32.065 > 61 67 S 0.40772122386858 0.09586484571497 0.28462844619658 32.065 > 67 68 S 0.90772122386858 0.09586484571497 0.28462844619658 32.065 > 67 69 S 0.40772122386858 0.09586484571497 0.61796177952992 32.065 > 67 70 S 0.90772122386858 0.09586484571497 0.61796177952992 32.065 > 67 71 S 0.40772122386858 0.09586484571497 0.95129511286325 32.065 > 67 72 S 0.90772122386858 0.09586484571497 0.95129511286325 32.065 > 67 73 S 0.27985745597458 0.19548443282340 0.12557058499527 32.065 > 73 74 S 0.77985745597458 0.19548443282340 0.12557058499527 32.065 > 73 75 S 0.27985745597458 0.19548443282340 0.45890391832861 32.065 > 73 76 S 0.77985745597458 0.19548443282340 0.45890391832861 32.065 > 73 77 S 0.27985745597458 0.19548443282340 0.79223725166194 32.065 > 73 78 S 0.77985745597458 0.19548443282340 0.79223725166194 32.065 > 73 79 S 0.22014254402542 0.69548443282340 0.04109608167139 32.065 > 79 80 S 0.72014254402542 0.69548443282340 0.04109608167139 32.065 > 79 81 S 0.22014254402542 0.69548443282340 0.37442941500473 32.065 > 79 82 S 0.72014254402542 0.69548443282340 0.37442941500473 32.065 > 79 83 S 0.22014254402542 0.69548443282340 0.70776274833806 32.065 > 79 84 S 0.72014254402542 0.69548443282340 0.70776274833806 32.065 > 79 85 S 0.22014254402542 0.80451556717660 0.20776274833806 32.065 > 85 86 S 0.72014254402542 0.80451556717660 0.20776274833806 32.065 > 85 87 S 0.22014254402542 0.80451556717660 0.54109608167139 32.065 > 85 88 S 0.72014254402542 0.80451556717660 0.54109608167139 32.065 > 85 89 S 0.22014254402542 0.80451556717660 0.87442941500473 32.065 > 85 90 S 0.72014254402542 0.80451556717660 0.87442941500473 32.065 > 85 91 S 0.27985745597458 0.30451556717660 0.29223725166194 32.065 > 91 92 S 0.77985745597458 0.30451556717660 0.29223725166194 32.065 > 91 93 S 0.27985745597458 0.30451556717660 0.62557058499527 32.065 > 91 94 S 0.77985745597458 0.30451556717660 0.62557058499527 32.065 > 91 95 S 0.27985745597458 0.30451556717660 0.95890391832861 32.065 > 91 96 S 0.77985745597458 0.30451556717660 0.95890391832861 32.065 > 91 97 Rb 0.13030604646324 0.08012199085793 0.23430886606871 85.468 > 97 98 Rb 0.63030604646324 0.08012199085793 0.23430886606871 85.468 > 97 99 Rb 0.13030604646324 0.08012199085793 0.56764219940204 85.468 > 97 100 Rb 0.63030604646324 0.08012199085793 0.56764219940204 85.468 > 97 101 Rb 0.13030604646324 0.08012199085793 0.90097553273537 85.468 > 97 102 Rb 0.63030604646324 0.08012199085793 0.90097553273537 85.468 > 97 103 Rb 0.36969395353676 0.58012199085793 0.26569113393129 85.468 > 103 104 Rb 0.86969395353676 0.58012199085793 0.26569113393129 85.468 > 103 105 Rb 0.36969395353676 0.58012199085793 0.59902446726463 85.468 > 103 106 Rb 0.86969395353676 0.58012199085793 0.59902446726463 85.468 > 103 107 Rb 0.36969395353676 0.58012199085793 0.93235780059796 85.468 > 103 108 Rb 0.86969395353676 0.58012199085793 0.93235780059796 85.468 > 103 109 Rb 0.36969395353676 0.91987800914207 0.09902446726463 85.468 > 109 110 Rb 0.86969395353676 0.91987800914207 0.09902446726463 85.468 > 109 111 Rb 0.36969395353676 0.91987800914207 0.43235780059796 85.468 > 109 112 Rb 0.86969395353676 0.91987800914207 0.43235780059796 85.468 > 109 113 Rb 0.36969395353676 0.91987800914207 0.76569113393129 85.468 > 109 114 Rb 0.86969395353676 0.91987800914207 0.76569113393129 85.468 > 109 115 Rb 0.13030604646324 0.41987800914207 0.06764219940204 85.468 > 115 116 Rb 0.63030604646324 0.41987800914207 0.06764219940204 85.468 > 115 117 Rb 0.13030604646324 0.41987800914207 0.40097553273537 85.468 > 115 118 Rb 0.63030604646324 0.41987800914207 0.40097553273537 85.468 > 115 119 Rb 0.13030604646324 0.41987800914207 0.73430886606871 85.468 > 115 120 Rb 0.63030604646324 0.41987800914207 0.73430886606871 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5779643 0.0000000 -0.2633860 0.0000000 3.7775421 0.0000000 -0.2633877 0.0000000 4.9824137 -------------------------- Born effective charges -------------------------- 1 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 2 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 3 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 4 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 5 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 6 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 7 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 8 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 9 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 10 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 11 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 12 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 13 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 14 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 15 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 16 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 17 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 18 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 19 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 20 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 97, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:12:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.077776221399833 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -1.517740944999939 0.000000000000000 5.592353337301812 Atomic positions (fractional): 1 B 0.71333385246344 0.23150021191559 0.68891978771689 10.811 2 B 0.28666614753656 0.73150021191559 0.81108021228311 10.811 3 B 0.28666614753656 0.76849978808441 0.31108021228311 10.811 4 B 0.71333385246344 0.26849978808441 0.18891978771689 10.811 5 S 0.94043205160552 0.17838448121848 0.17456612858338 32.065 6 S 0.05956794839448 0.67838448121848 0.32543387141662 32.065 7 S 0.05956794839448 0.82161551878152 0.82543387141662 32.065 8 S 0.94043205160552 0.32161551878152 0.67456612858338 32.065 9 S 0.81544244773717 0.40413515428503 0.35388533858975 32.065 10 S 0.18455755226283 0.90413515428503 0.14611466141026 32.065 11 S 0.18455755226283 0.59586484571497 0.64611466141025 32.065 12 S 0.81544244773717 0.09586484571497 0.85388533858975 32.065 13 S 0.55971491194916 0.19548443282340 0.37671175498582 32.065 14 S 0.44028508805084 0.69548443282340 0.12328824501418 32.065 15 S 0.44028508805084 0.80451556717660 0.62328824501418 32.065 16 S 0.55971491194916 0.30451556717660 0.87671175498582 32.065 17 Rb 0.26061209292648 0.08012199085793 0.70292659820612 85.468 18 Rb 0.73938790707352 0.58012199085793 0.79707340179388 85.468 19 Rb 0.73938790707352 0.91987800914207 0.29707340179388 85.468 20 Rb 0.26061209292648 0.41987800914207 0.20292659820612 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.155552442799666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.777948260000002 0.000000000000000 c -4.553222834999817 0.000000000000000 16.777060011905437 Atomic positions (fractional): 1 B 0.35666692623172 0.23150021191559 0.22963992923896 10.811 > 1 2 B 0.85666692623172 0.23150021191559 0.22963992923896 10.811 > 1 3 B 0.35666692623172 0.23150021191559 0.56297326257230 10.811 > 1 4 B 0.85666692623172 0.23150021191559 0.56297326257230 10.811 > 1 5 B 0.35666692623172 0.23150021191559 0.89630659590563 10.811 > 1 6 B 0.85666692623172 0.23150021191559 0.89630659590563 10.811 > 1 7 B 0.14333307376828 0.73150021191559 0.27036007076104 10.811 > 7 8 B 0.64333307376828 0.73150021191559 0.27036007076104 10.811 > 7 9 B 0.14333307376828 0.73150021191559 0.60369340409437 10.811 > 7 10 B 0.64333307376828 0.73150021191559 0.60369340409437 10.811 > 7 11 B 0.14333307376828 0.73150021191559 0.93702673742770 10.811 > 7 12 B 0.64333307376828 0.73150021191559 0.93702673742770 10.811 > 7 13 B 0.14333307376828 0.76849978808441 0.10369340409437 10.811 > 13 14 B 0.64333307376828 0.76849978808441 0.10369340409437 10.811 > 13 15 B 0.14333307376828 0.76849978808441 0.43702673742770 10.811 > 13 16 B 0.64333307376828 0.76849978808441 0.43702673742770 10.811 > 13 17 B 0.14333307376828 0.76849978808441 0.77036007076104 10.811 > 13 18 B 0.64333307376828 0.76849978808441 0.77036007076104 10.811 > 13 19 B 0.35666692623172 0.26849978808441 0.06297326257230 10.811 > 19 20 B 0.85666692623172 0.26849978808441 0.06297326257230 10.811 > 19 21 B 0.35666692623172 0.26849978808441 0.39630659590563 10.811 > 19 22 B 0.85666692623172 0.26849978808441 0.39630659590563 10.811 > 19 23 B 0.35666692623172 0.26849978808441 0.72963992923896 10.811 > 19 24 B 0.85666692623172 0.26849978808441 0.72963992923896 10.811 > 19 25 S 0.47021602580276 0.17838448121848 0.05818870952779 32.065 > 25 26 S 0.97021602580276 0.17838448121848 0.05818870952779 32.065 > 25 27 S 0.47021602580276 0.17838448121848 0.39152204286113 32.065 > 25 28 S 0.97021602580276 0.17838448121848 0.39152204286113 32.065 > 25 29 S 0.47021602580276 0.17838448121848 0.72485537619446 32.065 > 25 30 S 0.97021602580276 0.17838448121848 0.72485537619446 32.065 > 25 31 S 0.02978397419724 0.67838448121848 0.10847795713887 32.065 > 31 32 S 0.52978397419724 0.67838448121848 0.10847795713887 32.065 > 31 33 S 0.02978397419724 0.67838448121848 0.44181129047221 32.065 > 31 34 S 0.52978397419724 0.67838448121848 0.44181129047221 32.065 > 31 35 S 0.02978397419724 0.67838448121848 0.77514462380554 32.065 > 31 36 S 0.52978397419724 0.67838448121848 0.77514462380554 32.065 > 31 37 S 0.02978397419724 0.82161551878152 0.27514462380554 32.065 > 37 38 S 0.52978397419724 0.82161551878152 0.27514462380554 32.065 > 37 39 S 0.02978397419724 0.82161551878152 0.60847795713887 32.065 > 37 40 S 0.52978397419724 0.82161551878152 0.60847795713887 32.065 > 37 41 S 0.02978397419724 0.82161551878152 0.94181129047221 32.065 > 37 42 S 0.52978397419724 0.82161551878152 0.94181129047221 32.065 > 37 43 S 0.47021602580276 0.32161551878152 0.22485537619446 32.065 > 43 44 S 0.97021602580276 0.32161551878152 0.22485537619446 32.065 > 43 45 S 0.47021602580276 0.32161551878152 0.55818870952779 32.065 > 43 46 S 0.97021602580276 0.32161551878152 0.55818870952779 32.065 > 43 47 S 0.47021602580276 0.32161551878152 0.89152204286113 32.065 > 43 48 S 0.97021602580276 0.32161551878152 0.89152204286113 32.065 > 43 49 S 0.40772122386858 0.40413515428503 0.11796177952992 32.065 > 49 50 S 0.90772122386858 0.40413515428503 0.11796177952992 32.065 > 49 51 S 0.40772122386858 0.40413515428503 0.45129511286325 32.065 > 49 52 S 0.90772122386858 0.40413515428503 0.45129511286325 32.065 > 49 53 S 0.40772122386858 0.40413515428503 0.78462844619658 32.065 > 49 54 S 0.90772122386858 0.40413515428503 0.78462844619658 32.065 > 49 55 S 0.09227877613142 0.90413515428503 0.04870488713675 32.065 > 55 56 S 0.59227877613142 0.90413515428503 0.04870488713675 32.065 > 55 57 S 0.09227877613142 0.90413515428503 0.38203822047009 32.065 > 55 58 S 0.59227877613142 0.90413515428503 0.38203822047009 32.065 > 55 59 S 0.09227877613142 0.90413515428503 0.71537155380342 32.065 > 55 60 S 0.59227877613142 0.90413515428503 0.71537155380342 32.065 > 55 61 S 0.09227877613142 0.59586484571497 0.21537155380342 32.065 > 61 62 S 0.59227877613142 0.59586484571497 0.21537155380342 32.065 > 61 63 S 0.09227877613142 0.59586484571497 0.54870488713675 32.065 > 61 64 S 0.59227877613142 0.59586484571497 0.54870488713675 32.065 > 61 65 S 0.09227877613142 0.59586484571497 0.88203822047008 32.065 > 61 66 S 0.59227877613142 0.59586484571497 0.88203822047008 32.065 > 61 67 S 0.40772122386858 0.09586484571497 0.28462844619658 32.065 > 67 68 S 0.90772122386858 0.09586484571497 0.28462844619658 32.065 > 67 69 S 0.40772122386858 0.09586484571497 0.61796177952992 32.065 > 67 70 S 0.90772122386858 0.09586484571497 0.61796177952992 32.065 > 67 71 S 0.40772122386858 0.09586484571497 0.95129511286325 32.065 > 67 72 S 0.90772122386858 0.09586484571497 0.95129511286325 32.065 > 67 73 S 0.27985745597458 0.19548443282340 0.12557058499527 32.065 > 73 74 S 0.77985745597458 0.19548443282340 0.12557058499527 32.065 > 73 75 S 0.27985745597458 0.19548443282340 0.45890391832861 32.065 > 73 76 S 0.77985745597458 0.19548443282340 0.45890391832861 32.065 > 73 77 S 0.27985745597458 0.19548443282340 0.79223725166194 32.065 > 73 78 S 0.77985745597458 0.19548443282340 0.79223725166194 32.065 > 73 79 S 0.22014254402542 0.69548443282340 0.04109608167139 32.065 > 79 80 S 0.72014254402542 0.69548443282340 0.04109608167139 32.065 > 79 81 S 0.22014254402542 0.69548443282340 0.37442941500473 32.065 > 79 82 S 0.72014254402542 0.69548443282340 0.37442941500473 32.065 > 79 83 S 0.22014254402542 0.69548443282340 0.70776274833806 32.065 > 79 84 S 0.72014254402542 0.69548443282340 0.70776274833806 32.065 > 79 85 S 0.22014254402542 0.80451556717660 0.20776274833806 32.065 > 85 86 S 0.72014254402542 0.80451556717660 0.20776274833806 32.065 > 85 87 S 0.22014254402542 0.80451556717660 0.54109608167139 32.065 > 85 88 S 0.72014254402542 0.80451556717660 0.54109608167139 32.065 > 85 89 S 0.22014254402542 0.80451556717660 0.87442941500473 32.065 > 85 90 S 0.72014254402542 0.80451556717660 0.87442941500473 32.065 > 85 91 S 0.27985745597458 0.30451556717660 0.29223725166194 32.065 > 91 92 S 0.77985745597458 0.30451556717660 0.29223725166194 32.065 > 91 93 S 0.27985745597458 0.30451556717660 0.62557058499527 32.065 > 91 94 S 0.77985745597458 0.30451556717660 0.62557058499527 32.065 > 91 95 S 0.27985745597458 0.30451556717660 0.95890391832861 32.065 > 91 96 S 0.77985745597458 0.30451556717660 0.95890391832861 32.065 > 91 97 Rb 0.13030604646324 0.08012199085793 0.23430886606871 85.468 > 97 98 Rb 0.63030604646324 0.08012199085793 0.23430886606871 85.468 > 97 99 Rb 0.13030604646324 0.08012199085793 0.56764219940204 85.468 > 97 100 Rb 0.63030604646324 0.08012199085793 0.56764219940204 85.468 > 97 101 Rb 0.13030604646324 0.08012199085793 0.90097553273537 85.468 > 97 102 Rb 0.63030604646324 0.08012199085793 0.90097553273537 85.468 > 97 103 Rb 0.36969395353676 0.58012199085793 0.26569113393129 85.468 > 103 104 Rb 0.86969395353676 0.58012199085793 0.26569113393129 85.468 > 103 105 Rb 0.36969395353676 0.58012199085793 0.59902446726463 85.468 > 103 106 Rb 0.86969395353676 0.58012199085793 0.59902446726463 85.468 > 103 107 Rb 0.36969395353676 0.58012199085793 0.93235780059796 85.468 > 103 108 Rb 0.86969395353676 0.58012199085793 0.93235780059796 85.468 > 103 109 Rb 0.36969395353676 0.91987800914207 0.09902446726463 85.468 > 109 110 Rb 0.86969395353676 0.91987800914207 0.09902446726463 85.468 > 109 111 Rb 0.36969395353676 0.91987800914207 0.43235780059796 85.468 > 109 112 Rb 0.86969395353676 0.91987800914207 0.43235780059796 85.468 > 109 113 Rb 0.36969395353676 0.91987800914207 0.76569113393129 85.468 > 109 114 Rb 0.86969395353676 0.91987800914207 0.76569113393129 85.468 > 109 115 Rb 0.13030604646324 0.41987800914207 0.06764219940204 85.468 > 115 116 Rb 0.63030604646324 0.41987800914207 0.06764219940204 85.468 > 115 117 Rb 0.13030604646324 0.41987800914207 0.40097553273537 85.468 > 115 118 Rb 0.63030604646324 0.41987800914207 0.40097553273537 85.468 > 115 119 Rb 0.13030604646324 0.41987800914207 0.73430886606871 85.468 > 115 120 Rb 0.63030604646324 0.41987800914207 0.73430886606871 85.468 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5779643 0.0000000 -0.2633860 0.0000000 3.7775421 0.0000000 -0.2633877 0.0000000 4.9824137 -------------------------- Born effective charges -------------------------- 1 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 2 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 3 B 1.0412448 -0.1008067 -0.3534880 0.0140716 0.7989174 -0.0653235 -0.8833709 -0.0402477 1.7956525 4 B 1.0412448 0.1008067 -0.3534880 -0.0140716 0.7989174 0.0653235 -0.8833709 0.0402477 1.7956525 5 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 6 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 7 S -0.8497246 0.0957885 -0.1095352 0.1729467 -0.5904990 0.3246469 0.3153413 0.1996682 -0.6307284 8 S -0.8497246 -0.0957885 -0.1095352 -0.1729467 -0.5904990 -0.3246469 0.3153413 -0.1996682 -0.6307284 9 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 10 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 11 S -0.5693999 -0.1007024 0.1330125 -0.0187616 -0.7757404 -0.1208117 0.2112886 -0.0844672 -0.4961186 12 S -0.5693999 0.1007024 0.1330125 0.0187616 -0.7757404 0.1208117 0.2112886 0.0844672 -0.4961186 13 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 14 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 15 S -1.0167465 -0.2552108 0.3310234 -0.1628637 -0.8413285 0.0590870 0.3393488 0.1325823 -1.9095683 16 S -1.0167465 0.2552108 0.3310234 0.1628637 -0.8413285 -0.0590870 0.3393488 -0.1325823 -1.9095683 17 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 18 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 19 Rb 1.3946262 0.0895747 -0.0010126 0.0844351 1.4086506 -0.0254158 0.0173921 -0.0594480 1.2407629 20 Rb 1.3946262 -0.0895747 -0.0010126 -0.0844351 1.4086506 0.0254158 0.0173921 0.0594480 1.2407629 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 9 ] 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: 0.54, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.949 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 14.373 ( 0.000 0.000 0.000) 0.000 14.385 ( 0.000 0.000 0.000) 0.000 14.736 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.273 ( 0.000 0.000 0.000) 0.000 18.682 ( 0.000 0.000 0.000) 0.000 18.682 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 19.361 ( 0.000 0.000 0.000) 0.000 20.442 ( 0.000 0.000 0.000) 0.000 20.659 ( 0.000 0.000 0.000) 0.000 22.224 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 22.504 ( 0.000 0.000 0.000) 0.000 22.588 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.14 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 14.524 0.000 0.384) 14.529 0.422 ( 19.970 0.000 2.620) 20.141 0.630 ( 29.222 0.000 3.991) 29.493 1.128 ( 2.706 0.000 1.181) 2.952 1.198 ( 2.263 0.000 -1.087) 2.511 1.382 ( -5.378 0.000 -2.922) 6.121 1.454 ( 2.794 0.000 0.378) 2.819 1.539 ( -1.595 0.000 -0.351) 1.633 1.569 ( 0.081 0.000 2.673) 2.674 1.705 ( -2.604 0.000 -1.926) 3.239 1.762 ( -7.019 0.000 14.566) 16.168 1.920 ( 1.023 0.000 1.016) 1.442 1.924 ( 1.877 0.000 -1.454) 2.374 2.154 ( -4.722 0.000 -2.889) 5.536 2.325 ( -4.460 0.000 6.142) 7.590 2.418 ( -1.171 0.000 3.645) 3.829 2.533 ( -4.604 0.000 0.563) 4.639 2.662 ( 1.329 0.000 -2.098) 2.484 2.768 ( 5.884 0.000 -0.450) 5.901 3.229 ( -2.085 0.000 -13.723) 13.880 3.680 ( 0.269 0.000 0.460) 0.532 3.790 ( 1.683 0.000 1.787) 2.455 3.830 ( -0.559 0.000 -0.588) 0.812 3.922 ( -1.417 0.000 -1.038) 1.757 5.223 ( -0.244 0.000 0.948) 0.979 5.238 ( 0.557 0.000 -0.045) 0.559 6.619 ( 0.361 0.000 -0.067) 0.368 6.685 ( -0.364 0.000 -0.140) 0.389 6.865 ( 0.719 0.000 -0.095) 0.725 6.941 ( -0.350 0.000 -0.968) 1.029 7.043 ( 0.288 0.000 0.279) 0.401 7.081 ( 0.189 0.000 -0.872) 0.892 7.324 ( -0.180 0.000 -0.026) 0.182 7.374 ( -0.318 0.000 0.168) 0.360 7.609 ( -0.551 0.000 -0.362) 0.659 7.631 ( -0.511 0.000 -0.055) 0.513 9.518 ( -0.319 0.000 0.114) 0.339 9.546 ( -0.189 0.000 -0.240) 0.305 9.888 ( 0.120 0.000 0.114) 0.165 9.912 ( 0.034 0.000 0.075) 0.082 11.377 ( -0.190 0.000 -0.306) 0.360 11.426 ( 0.029 0.000 -0.154) 0.157 11.835 ( 0.273 0.000 0.204) 0.340 11.857 ( -0.089 0.000 0.150) 0.174 14.372 ( -0.038 0.000 -0.023) 0.044 14.387 ( -0.030 0.000 -0.278) 0.279 14.735 ( -0.081 0.000 -0.025) 0.085 14.748 ( -0.079 0.000 0.045) 0.091 18.228 ( 1.306 0.000 -0.285) 1.336 18.281 ( 0.548 0.000 0.672) 0.867 18.684 ( -0.068 0.000 1.189) 1.191 18.720 ( 3.756 0.000 -14.807) 15.276 19.342 ( 0.947 0.000 -2.471) 2.647 19.405 ( 4.007 0.000 -14.898) 15.428 20.433 ( -0.758 0.000 -0.411) 0.863 20.631 ( -2.275 0.000 -1.037) 2.500 22.224 ( -0.062 0.000 0.130) 0.144 22.381 ( -2.491 0.000 9.215) 9.546 22.507 ( 0.218 0.000 0.439) 0.490 22.603 ( 1.178 0.000 0.901) 1.483 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.29 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 11.909 0.000 -1.459) 11.998 0.827 ( 18.622 0.000 1.955) 18.725 1.193 ( 18.533 0.000 0.590) 18.542 1.202 ( 2.696 0.000 0.345) 2.718 1.233 ( 7.335 0.000 1.356) 7.459 1.275 ( -2.991 0.000 -0.087) 2.993 1.436 ( -2.606 0.000 -0.241) 2.617 1.551 ( -2.500 0.000 1.508) 2.920 1.590 ( 4.045 0.000 -0.476) 4.073 1.605 ( -4.790 0.000 -2.831) 5.563 1.677 ( -6.937 0.000 7.597) 10.287 1.935 ( -3.473 0.000 0.207) 3.479 1.970 ( 3.414 0.000 -1.410) 3.694 2.048 ( -2.856 0.000 -0.998) 3.025 2.233 ( -5.636 0.000 4.271) 7.071 2.392 ( -8.873 0.000 1.054) 8.935 2.447 ( 2.353 0.000 1.650) 2.874 2.698 ( 2.928 0.000 -2.435) 3.808 2.892 ( 5.491 0.000 0.872) 5.560 3.069 ( -7.891 0.000 -6.536) 10.246 3.690 ( 0.393 0.000 0.470) 0.612 3.811 ( -0.822 0.000 -0.846) 1.180 3.837 ( 1.615 0.000 2.125) 2.669 3.882 ( -1.657 0.000 -1.291) 2.101 5.227 ( 0.099 0.000 0.769) 0.776 5.248 ( 0.473 0.000 -0.308) 0.565 6.627 ( 0.495 0.000 -0.032) 0.496 6.675 ( -0.528 0.000 -0.222) 0.573 6.882 ( 0.803 0.000 0.130) 0.813 6.932 ( 0.112 0.000 -1.003) 1.009 7.042 ( -0.325 0.000 -0.198) 0.381 7.084 ( 0.438 0.000 -0.617) 0.757 7.318 ( -0.346 0.000 -0.030) 0.348 7.368 ( -0.294 0.000 0.154) 0.331 7.595 ( -0.498 0.000 -0.417) 0.650 7.616 ( -0.888 0.000 -0.031) 0.889 9.512 ( -0.272 0.000 0.159) 0.315 9.539 ( -0.354 0.000 -0.299) 0.463 9.890 ( 0.026 0.000 0.120) 0.122 9.913 ( 0.094 0.000 0.083) 0.125 11.372 ( -0.113 0.000 -0.318) 0.338 11.425 ( -0.077 0.000 -0.258) 0.269 11.843 ( 0.365 0.000 0.237) 0.435 11.856 ( -0.098 0.000 0.198) 0.221 14.371 ( -0.044 0.000 -0.034) 0.055 14.384 ( -0.119 0.000 -0.065) 0.135 14.732 ( -0.101 0.000 -0.033) 0.106 14.747 ( -0.100 0.000 0.057) 0.115 18.258 ( 1.713 0.000 -0.527) 1.792 18.298 ( 0.572 0.000 1.019) 1.169 18.694 ( 0.115 0.000 1.948) 1.951 18.717 ( 1.189 0.000 -4.214) 4.379 19.345 ( 0.914 0.000 -3.346) 3.469 19.400 ( 1.540 0.000 -7.208) 7.370 20.411 ( -1.007 0.000 -0.567) 1.156 20.571 ( -2.622 0.000 -1.162) 2.868 22.222 ( -0.221 0.000 0.082) 0.236 22.382 ( -0.993 0.000 3.872) 3.997 22.516 ( 0.282 0.000 0.498) 0.573 22.637 ( 1.433 0.000 1.124) 1.821 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.43 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 5.460 0.000 -1.230) 5.597 1.156 ( 7.988 0.000 2.000) 8.234 1.171 ( 1.131 0.000 -2.284) 2.549 1.219 ( -0.718 0.000 0.340) 0.794 1.335 ( 4.834 0.000 2.458) 5.423 1.415 ( 1.261 0.000 -1.187) 1.731 1.487 ( -3.672 0.000 -2.330) 4.349 1.522 ( -1.450 0.000 1.168) 1.862 1.535 ( -0.660 0.000 1.292) 1.451 1.621 ( 1.894 0.000 -0.846) 2.074 1.725 ( 11.856 0.000 5.398) 13.027 1.749 ( -10.141 0.000 -1.000) 10.190 2.026 ( 2.925 0.000 -2.847) 4.082 2.049 ( 0.772 0.000 -0.176) 0.792 2.170 ( -12.297 0.000 1.077) 12.344 2.179 ( -1.518 0.000 1.472) 2.114 2.559 ( 6.351 0.000 1.639) 6.559 2.736 ( 1.325 0.000 -0.804) 1.550 2.866 ( -8.092 0.000 -3.112) 8.670 2.977 ( 2.144 0.000 0.480) 2.197 3.698 ( 0.173 0.000 0.203) 0.267 3.794 ( -0.407 0.000 -0.422) 0.587 3.851 ( -0.708 0.000 -0.572) 0.910 3.869 ( 0.610 0.000 0.917) 1.102 5.232 ( 0.099 0.000 0.341) 0.355 5.253 ( 0.169 0.000 -0.186) 0.251 6.636 ( 0.309 0.000 0.032) 0.310 6.664 ( -0.332 0.000 -0.145) 0.363 6.895 ( 0.322 0.000 0.024) 0.323 6.933 ( 0.223 0.000 -0.385) 0.445 7.034 ( -0.206 0.000 -0.157) 0.259 7.088 ( 0.135 0.000 -0.202) 0.243 7.312 ( -0.198 0.000 -0.008) 0.198 7.364 ( -0.096 0.000 0.043) 0.105 7.588 ( 0.047 0.000 -0.236) 0.241 7.599 ( -0.683 0.000 0.062) 0.686 9.509 ( -0.083 0.000 0.080) 0.115 9.531 ( -0.193 0.000 -0.138) 0.237 9.891 ( -0.018 0.000 0.049) 0.052 9.915 ( 0.047 0.000 0.031) 0.056 11.369 ( -0.002 0.000 -0.116) 0.116 11.421 ( -0.079 0.000 -0.140) 0.161 11.850 ( 0.179 0.000 0.083) 0.197 11.855 ( -0.047 0.000 0.108) 0.118 14.371 ( -0.017 0.000 -0.018) 0.025 14.382 ( -0.062 0.000 -0.007) 0.062 14.731 ( -0.045 0.000 -0.015) 0.047 14.745 ( -0.045 0.000 0.026) 0.052 18.284 ( 0.849 0.000 -0.385) 0.932 18.311 ( 0.159 0.000 0.608) 0.629 18.706 ( 0.101 0.000 1.116) 1.121 18.721 ( 0.413 0.000 -0.917) 1.005 19.343 ( 0.324 0.000 -1.603) 1.635 19.391 ( 0.331 0.000 -2.455) 2.478 20.392 ( -0.479 0.000 -0.278) 0.554 20.527 ( -1.089 0.000 -0.468) 1.185 22.218 ( -0.141 0.000 0.013) 0.142 22.383 ( -0.286 0.000 1.182) 1.216 22.522 ( 0.130 0.000 0.211) 0.248 22.664 ( 0.627 0.000 0.496) 0.799 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 16.462 0.000) 16.462 0.434 ( 0.000 19.777 0.000) 19.777 0.691 ( 0.000 29.405 0.000) 29.405 0.981 ( 0.000 -8.631 0.000) 8.631 1.126 ( 0.000 -8.596 0.000) 8.596 1.419 ( 0.000 2.605 0.000) 2.605 1.493 ( 0.000 -1.910 0.000) 1.910 1.505 ( 0.000 0.524 0.000) 0.524 1.637 ( 0.000 -4.953 0.000) 4.953 1.654 ( 0.000 3.441 0.000) 3.441 1.723 ( 0.000 -1.001 0.000) 1.001 1.954 ( 0.000 -14.476 0.000) 14.476 1.961 ( 0.000 4.677 0.000) 4.677 2.017 ( 0.000 1.218 0.000) 1.218 2.195 ( 0.000 -4.153 0.000) 4.153 2.278 ( 0.000 -4.641 0.000) 4.641 2.590 ( 0.000 0.753 0.000) 0.753 2.599 ( 0.000 -1.425 0.000) 1.425 2.999 ( 0.000 10.726 0.000) 10.726 3.256 ( 0.000 -2.160 0.000) 2.160 3.687 ( 0.000 1.034 0.000) 1.034 3.750 ( 0.000 -1.249 0.000) 1.249 3.885 ( 0.000 0.845 0.000) 0.845 3.931 ( 0.000 -0.871 0.000) 0.871 5.225 ( 0.000 0.030 0.000) 0.030 5.228 ( 0.000 -0.064 0.000) 0.064 6.640 ( 0.000 0.779 0.000) 0.779 6.681 ( 0.000 -0.759 0.000) 0.759 6.868 ( 0.000 1.078 0.000) 1.078 6.934 ( 0.000 -1.363 0.000) 1.363 7.043 ( 0.000 0.626 0.000) 0.626 7.076 ( 0.000 -0.606 0.000) 0.606 7.344 ( 0.000 0.657 0.000) 0.657 7.372 ( 0.000 -0.419 0.000) 0.419 7.620 ( 0.000 0.351 0.000) 0.351 7.639 ( 0.000 -0.345 0.000) 0.345 9.525 ( 0.000 0.350 0.000) 0.350 9.544 ( 0.000 -0.361 0.000) 0.361 9.891 ( 0.000 0.321 0.000) 0.321 9.908 ( 0.000 -0.297 0.000) 0.297 11.387 ( 0.000 0.586 0.000) 0.586 11.419 ( 0.000 -0.613 0.000) 0.613 11.840 ( 0.000 0.269 0.000) 0.269 11.854 ( 0.000 -0.258 0.000) 0.258 14.375 ( 0.000 0.152 0.000) 0.152 14.383 ( 0.000 -0.161 0.000) 0.161 14.738 ( 0.000 0.195 0.000) 0.195 14.748 ( 0.000 -0.188 0.000) 0.188 18.224 ( 0.000 0.769 0.000) 0.769 18.265 ( 0.000 -0.736 0.000) 0.736 18.682 ( 0.000 -0.002 0.000) 0.002 18.682 ( 0.000 -0.002 0.000) 0.002 19.341 ( 0.000 0.305 0.000) 0.305 19.358 ( 0.000 -0.296 0.000) 0.296 20.660 ( 0.000 0.116 0.000) 0.116 20.666 ( 0.000 -0.100 0.000) 0.100 22.225 ( 0.000 0.053 0.000) 0.053 22.228 ( 0.000 -0.056 0.000) 0.056 22.517 ( 0.000 1.070 0.000) 1.070 22.575 ( 0.000 -1.102 0.000) 1.102 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.14 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 8.816 11.311 -2.478) 14.554 0.541 ( 10.492 13.135 1.101) 16.847 0.931 ( 13.527 7.676 0.594) 15.564 0.999 ( 7.517 3.141 -0.736) 8.180 1.164 ( 3.054 -7.124 -0.521) 7.768 1.402 ( -1.408 3.632 -0.033) 3.895 1.448 ( -0.003 0.272 1.307) 1.335 1.519 ( -0.954 -0.845 1.249) 1.784 1.588 ( -2.822 -0.050 0.269) 2.836 1.685 ( -1.996 -2.281 3.101) 4.336 1.746 ( -0.006 -1.969 4.485) 4.899 1.858 ( -6.095 2.826 -1.003) 6.793 1.989 ( 3.201 -15.030 -0.294) 15.370 2.100 ( 2.729 6.393 0.350) 6.960 2.130 ( -4.670 -6.598 1.482) 8.218 2.403 ( 5.447 -4.516 2.805) 7.611 2.549 ( -2.090 1.534 0.634) 2.668 2.650 ( 4.487 -4.594 -1.919) 6.703 2.895 ( -6.688 12.638 -0.524) 14.308 3.216 ( -3.090 -2.621 -6.788) 7.905 3.695 ( 0.575 1.398 0.743) 1.685 3.771 ( 1.333 -1.436 1.897) 2.727 3.860 ( -1.482 1.598 -0.542) 2.246 3.913 ( -1.400 -0.820 -0.850) 1.832 5.222 ( -0.075 0.095 0.369) 0.388 5.235 ( 0.377 -0.301 0.051) 0.485 6.635 ( -0.061 1.109 -0.142) 1.120 6.679 ( -0.170 -0.648 -0.368) 0.764 6.874 ( 0.537 0.860 0.056) 1.015 6.928 ( -0.237 -1.102 -0.551) 1.254 7.047 ( 0.198 0.405 0.085) 0.459 7.074 ( 0.088 -0.578 -0.562) 0.811 7.337 ( -0.496 0.895 0.223) 1.047 7.370 ( -0.378 -0.418 0.445) 0.718 7.615 ( -0.346 0.408 -0.834) 0.991 7.631 ( -0.555 -0.163 -0.422) 0.715 9.520 ( -0.321 0.299 -0.135) 0.459 9.541 ( -0.247 -0.434 -0.266) 0.566 9.893 ( 0.157 0.422 0.138) 0.471 9.912 ( 0.131 -0.180 0.149) 0.268 11.384 ( -0.176 0.627 -0.243) 0.695 11.419 ( -0.014 -0.662 -0.151) 0.679 11.840 ( 0.078 0.345 0.173) 0.394 11.854 ( -0.065 -0.233 0.177) 0.300 14.374 ( -0.040 0.154 -0.015) 0.160 14.384 ( 0.005 -0.233 -0.084) 0.248 14.737 ( -0.082 0.196 -0.017) 0.213 14.747 ( -0.103 -0.159 0.025) 0.191 18.236 ( 1.195 0.715 -0.147) 1.401 18.274 ( 0.664 -0.661 0.547) 1.085 18.685 ( 0.081 0.063 0.812) 0.818 18.699 ( 2.310 -0.934 -5.565) 6.097 19.346 ( 1.039 0.379 -2.599) 2.825 19.377 ( 2.815 -1.287 -6.483) 7.184 20.544 ( -5.520 5.037 -3.270) 8.157 20.630 ( -2.718 -0.300 -1.091) 2.944 22.228 ( 0.291 0.479 0.549) 0.785 22.303 ( 1.917 -3.791 5.598) 7.028 22.523 ( 0.387 1.276 0.743) 1.526 22.590 ( 1.069 -1.219 0.883) 1.846 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.29 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 10.002 5.187 -2.167) 11.473 0.814 ( 14.681 2.758 0.698) 14.954 1.016 ( 3.726 -10.298 -2.571) 11.249 1.166 ( 0.815 -6.197 -1.083) 6.343 1.380 ( 5.774 7.954 1.670) 9.969 1.417 ( 3.761 6.363 4.396) 8.600 1.452 ( 5.131 4.637 -0.077) 6.917 1.506 ( 0.250 -3.006 0.440) 3.048 1.534 ( -2.121 -0.617 1.101) 2.468 1.640 ( -2.599 0.191 0.224) 2.616 1.700 ( -5.305 3.847 1.583) 6.741 1.782 ( -1.432 -6.544 0.564) 6.722 1.944 ( -7.730 -5.895 -1.222) 9.797 2.113 ( 6.799 -7.387 1.723) 10.186 2.198 ( 3.099 7.460 1.445) 8.206 2.424 ( -2.233 0.594 1.380) 2.691 2.510 ( -4.485 4.182 1.293) 6.267 2.711 ( 0.592 -2.997 -2.138) 3.729 2.829 ( 1.911 1.876 -0.036) 2.678 3.071 ( -7.131 -2.061 -4.671) 8.771 3.713 ( 0.680 2.029 0.728) 2.260 3.808 ( 0.739 -1.264 1.201) 1.893 3.834 ( -0.466 0.605 -0.044) 0.765 3.875 ( -1.606 -0.667 -1.082) 2.048 5.226 ( 0.167 0.060 0.554) 0.581 5.242 ( 0.377 -0.478 -0.169) 0.632 6.637 ( 0.286 0.842 -0.098) 0.895 6.671 ( -0.379 -0.398 -0.307) 0.629 6.888 ( 0.677 0.531 0.054) 0.862 6.923 ( 0.165 -0.775 -0.725) 1.074 7.046 ( -0.220 0.399 -0.215) 0.504 7.076 ( 0.310 -0.703 -0.527) 0.931 7.329 ( -0.405 0.869 0.167) 0.973 7.364 ( -0.384 -0.427 0.332) 0.663 7.600 ( -0.526 0.422 -0.669) 0.950 7.615 ( -0.810 -0.161 -0.302) 0.880 9.514 ( -0.255 0.191 0.007) 0.318 9.533 ( -0.355 -0.484 -0.296) 0.670 9.896 ( 0.063 0.500 0.134) 0.521 9.914 ( 0.023 -0.070 0.090) 0.116 11.379 ( -0.122 0.664 -0.281) 0.731 11.416 ( -0.092 -0.720 -0.244) 0.765 11.845 ( 0.272 0.187 0.228) 0.401 11.854 ( -0.041 -0.146 0.204) 0.254 14.373 ( -0.051 0.150 -0.024) 0.161 14.382 ( -0.093 -0.196 -0.034) 0.219 14.735 ( -0.103 0.198 -0.021) 0.224 14.745 ( -0.108 -0.170 0.040) 0.206 18.265 ( 1.554 0.559 -0.296) 1.678 18.293 ( 0.746 -0.477 0.803) 1.195 18.695 ( 0.231 0.116 1.531) 1.553 18.709 ( 1.053 -0.569 -2.387) 2.670 19.350 ( 0.979 0.481 -3.465) 3.633 19.387 ( 1.503 -1.025 -5.673) 5.958 20.455 ( -2.463 3.362 -1.290) 4.362 20.562 ( -2.912 -1.013 -1.263) 3.331 22.235 ( 0.062 1.266 0.480) 1.355 22.341 ( 0.020 -3.091 2.975) 4.290 22.537 ( 0.465 1.742 0.847) 1.992 22.621 ( 1.294 -1.477 1.100) 2.251 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.43 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 5.118 3.146 -1.168) 6.120 1.043 ( 1.526 -9.236 0.395) 9.369 1.108 ( 10.366 -3.140 -1.203) 10.898 1.182 ( 1.545 -1.305 -0.978) 2.246 1.357 ( -3.442 0.723 2.028) 4.060 1.417 ( 0.219 -2.018 0.347) 2.059 1.457 ( -2.967 -3.330 1.058) 4.584 1.486 ( -1.981 -1.019 -0.680) 2.329 1.559 ( -2.223 3.809 0.954) 4.513 1.604 ( -0.979 -0.970 1.786) 2.256 1.668 ( -5.217 -2.974 -3.159) 6.785 1.846 ( 1.911 -7.961 0.009) 8.187 1.918 ( 14.049 11.486 2.753) 18.355 2.218 ( -1.901 8.106 -1.551) 8.469 2.251 ( 1.657 4.448 1.426) 4.957 2.302 ( -8.163 8.771 0.974) 12.021 2.494 ( 5.194 -5.319 1.015) 7.504 2.672 ( -4.272 -6.193 -1.485) 7.669 2.850 ( -1.191 0.001 -0.881) 1.481 2.956 ( -0.966 -2.365 -0.682) 2.644 3.727 ( 0.294 2.439 0.290) 2.474 3.801 ( -0.475 0.498 -0.308) 0.754 3.843 ( -0.288 -0.812 -0.463) 0.978 3.850 ( 0.128 -1.433 0.694) 1.598 5.232 ( 0.110 0.027 0.270) 0.293 5.247 ( 0.150 -0.509 -0.119) 0.544 6.643 ( 0.213 0.558 -0.004) 0.598 6.663 ( -0.250 -0.170 -0.147) 0.336 6.898 ( 0.295 0.356 -0.018) 0.463 6.925 ( 0.210 -0.659 -0.298) 0.753 7.040 ( -0.147 0.563 -0.148) 0.600 7.078 ( 0.095 -0.840 -0.190) 0.866 7.323 ( -0.190 0.908 0.053) 0.929 7.360 ( -0.136 -0.473 0.104) 0.502 7.591 ( -0.067 0.235 -0.282) 0.373 7.599 ( -0.568 -0.060 -0.050) 0.573 9.510 ( -0.084 0.127 0.028) 0.155 9.526 ( -0.175 -0.443 -0.126) 0.492 9.897 ( -0.017 0.519 0.048) 0.522 9.914 ( 0.013 -0.124 0.029) 0.128 11.377 ( -0.019 0.642 -0.110) 0.651 11.413 ( -0.075 -0.716 -0.128) 0.731 11.851 ( 0.145 0.079 0.085) 0.186 11.855 ( -0.013 -0.054 0.102) 0.116 14.372 ( -0.022 0.142 -0.013) 0.144 14.380 ( -0.052 -0.165 -0.004) 0.173 14.733 ( -0.046 0.199 -0.010) 0.205 14.743 ( -0.047 -0.180 0.019) 0.187 18.288 ( 0.752 0.404 -0.237) 0.886 18.307 ( 0.263 -0.300 0.466) 0.613 18.707 ( 0.148 0.099 0.904) 0.921 18.717 ( 0.384 -0.300 -0.473) 0.680 19.348 ( 0.333 0.498 -1.644) 1.749 19.382 ( 0.353 -0.768 -2.203) 2.360 20.419 ( -0.792 2.244 -0.400) 2.413 20.514 ( -1.167 -1.287 -0.500) 1.808 22.236 ( -0.052 1.687 0.156) 1.695 22.350 ( -0.102 -2.712 0.916) 2.864 22.548 ( 0.208 2.087 0.354) 2.127 22.646 ( 0.562 -1.687 0.483) 1.843 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 -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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 -13.979 0.000) 13.979 0.687 ( 0.000 13.979 0.000) 13.979 0.823 ( 0.000 -16.403 0.000) 16.403 0.823 ( 0.000 16.403 0.000) 16.403 1.341 ( 0.000 -20.233 0.000) 20.233 1.341 ( 0.000 20.233 0.000) 20.233 1.523 ( 0.000 -8.072 0.000) 8.072 1.523 ( 0.000 8.072 0.000) 8.072 1.553 ( 0.000 -5.945 0.000) 5.945 1.553 ( 0.000 5.945 0.000) 5.945 1.705 ( 0.000 -1.868 0.000) 1.868 1.705 ( 0.000 1.868 0.000) 1.868 2.079 ( 0.000 -5.539 0.000) 5.539 2.079 ( 0.000 5.539 0.000) 5.539 2.155 ( 0.000 -6.296 0.000) 6.296 2.155 ( 0.000 6.296 0.000) 6.296 2.596 ( 0.000 -0.156 0.000) 0.156 2.596 ( 0.000 0.156 0.000) 0.156 3.175 ( 0.000 -5.823 0.000) 5.823 3.175 ( 0.000 5.823 0.000) 5.823 3.717 ( 0.000 -1.688 0.000) 1.688 3.717 ( 0.000 1.688 0.000) 1.688 3.908 ( 0.000 -1.199 0.000) 1.199 3.908 ( 0.000 1.199 0.000) 1.199 5.226 ( 0.000 -0.067 0.000) 0.067 5.226 ( 0.000 0.067 0.000) 0.067 6.660 ( 0.000 -1.080 0.000) 1.080 6.660 ( 0.000 1.080 0.000) 1.080 6.899 ( 0.000 -1.703 0.000) 1.703 6.899 ( 0.000 1.703 0.000) 1.703 7.060 ( 0.000 -0.863 0.000) 0.863 7.060 ( 0.000 0.863 0.000) 0.863 7.360 ( 0.000 -0.736 0.000) 0.736 7.360 ( 0.000 0.736 0.000) 0.736 7.630 ( 0.000 -0.495 0.000) 0.495 7.630 ( 0.000 0.495 0.000) 0.495 9.535 ( 0.000 -0.503 0.000) 0.503 9.535 ( 0.000 0.503 0.000) 0.503 9.900 ( 0.000 -0.437 0.000) 0.437 9.900 ( 0.000 0.437 0.000) 0.437 11.403 ( 0.000 -0.848 0.000) 0.848 11.403 ( 0.000 0.848 0.000) 0.848 11.847 ( 0.000 -0.372 0.000) 0.372 11.847 ( 0.000 0.372 0.000) 0.372 14.379 ( 0.000 -0.221 0.000) 0.221 14.379 ( 0.000 0.221 0.000) 0.221 14.743 ( 0.000 -0.271 0.000) 0.271 14.743 ( 0.000 0.271 0.000) 0.271 18.245 ( 0.000 -1.064 0.000) 1.064 18.245 ( 0.000 1.064 0.000) 1.064 18.682 ( 0.000 -0.002 0.000) 0.002 18.682 ( 0.000 0.002 0.000) 0.002 19.350 ( 0.000 -0.424 0.000) 0.424 19.350 ( 0.000 0.424 0.000) 0.424 20.663 ( 0.000 -0.153 0.000) 0.153 20.663 ( 0.000 0.153 0.000) 0.153 22.226 ( 0.000 -0.077 0.000) 0.077 22.226 ( 0.000 0.077 0.000) 0.077 22.546 ( 0.000 -1.536 0.000) 1.536 22.546 ( 0.000 1.536 0.000) 1.536 ======================= Grid point 16 (10/96) ======================= q-point: ( 0.14 -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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 3.773 -11.523 -3.827) 12.714 0.709 ( 3.773 11.523 -3.827) 12.714 0.873 ( 4.063 -13.995 -0.218) 14.574 0.873 ( 4.063 13.995 -0.218) 14.574 1.418 ( 4.578 -8.084 2.316) 9.575 1.418 ( 4.578 8.084 2.316) 9.575 1.501 ( 0.091 -6.877 1.487) 7.036 1.501 ( 0.091 6.877 1.487) 7.036 1.579 ( 1.823 -7.508 -0.142) 7.728 1.579 ( 1.823 7.508 -0.142) 7.728 1.707 ( -0.031 -0.691 2.266) 2.369 1.707 ( -0.031 0.691 2.266) 2.369 1.980 ( -6.995 -6.916 -0.793) 9.869 1.980 ( -6.995 6.916 -0.793) 9.869 2.269 ( 6.615 -7.454 1.828) 10.133 2.269 ( 6.615 7.454 1.828) 10.133 2.590 ( 0.055 -2.099 -0.487) 2.156 2.590 ( 0.055 2.099 -0.487) 2.156 3.109 ( -5.290 -7.477 -2.690) 9.546 3.109 ( -5.290 7.477 -2.690) 9.546 3.733 ( 1.034 -1.958 1.345) 2.591 3.733 ( 1.034 1.958 1.345) 2.591 3.890 ( -1.396 -1.274 -0.556) 1.970 3.890 ( -1.396 1.274 -0.556) 1.970 5.227 ( 0.094 -0.351 0.099) 0.377 5.227 ( 0.094 0.351 0.099) 0.377 6.659 ( -0.020 -1.112 -0.285) 1.148 6.659 ( -0.020 1.112 -0.285) 1.148 6.900 ( 0.131 -1.411 -0.122) 1.422 6.900 ( 0.131 1.411 -0.122) 1.422 7.060 ( 0.068 -0.719 -0.256) 0.766 7.060 ( 0.068 0.719 -0.256) 0.766 7.356 ( -0.447 -0.858 0.489) 1.084 7.356 ( -0.447 0.858 0.489) 1.084 7.624 ( -0.342 -0.434 -0.790) 0.964 7.624 ( -0.342 0.434 -0.790) 0.964 9.530 ( -0.335 -0.563 -0.269) 0.708 9.530 ( -0.335 0.563 -0.269) 0.708 9.904 ( 0.239 -0.525 0.184) 0.606 9.904 ( 0.239 0.525 0.184) 0.606 11.401 ( -0.105 -0.907 -0.181) 0.931 11.401 ( -0.105 0.907 -0.181) 0.931 11.848 ( 0.004 -0.357 0.181) 0.400 11.848 ( 0.004 0.357 0.181) 0.400 14.378 ( -0.032 -0.238 -0.014) 0.240 14.378 ( -0.032 0.238 -0.014) 0.240 14.742 ( -0.089 -0.266 0.004) 0.280 14.742 ( -0.089 0.266 0.004) 0.280 18.255 ( 0.938 -0.971 0.202) 1.365 18.255 ( 0.938 0.971 0.202) 1.365 18.688 ( 0.657 -0.253 -0.637) 0.949 18.688 ( 0.657 0.253 -0.637) 0.949 19.357 ( 1.471 -0.709 -3.272) 3.657 19.357 ( 1.471 0.709 -3.272) 3.657 20.610 ( -3.873 -1.754 -1.904) 4.659 20.610 ( -3.873 1.754 -1.904) 4.659 22.249 ( 1.170 -1.619 2.008) 2.833 22.249 ( 1.170 1.619 2.008) 2.833 22.557 ( 0.762 -1.729 0.856) 2.074 22.557 ( 0.762 1.729 0.856) 2.074 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.29 -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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 5.750 -9.185 -3.497) 11.386 0.791 ( 5.750 9.185 -3.497) 11.386 0.978 ( 6.624 -9.736 -0.536) 11.788 0.978 ( 6.624 9.736 -0.536) 11.788 1.452 ( -1.234 -1.216 1.648) 2.392 1.452 ( -1.234 1.216 1.648) 2.392 1.473 ( -3.902 -2.140 2.416) 5.064 1.473 ( -3.902 2.140 2.416) 5.064 1.659 ( 0.989 -2.848 0.033) 3.014 1.659 ( 0.989 2.848 0.033) 3.014 1.759 ( -2.206 -6.556 -1.132) 7.009 1.759 ( -2.206 6.556 -1.132) 7.009 1.879 ( 7.098 -8.629 2.605) 11.473 1.879 ( 7.098 8.629 2.605) 11.473 2.367 ( 1.932 -6.177 1.136) 6.571 2.367 ( 1.932 6.177 1.136) 6.571 2.600 ( -0.265 -4.894 0.078) 4.902 2.600 ( -0.265 4.894 0.078) 4.902 2.966 ( -6.129 -7.190 -2.646) 9.811 2.966 ( -6.129 7.190 -2.646) 9.811 3.764 ( 1.102 -2.489 1.281) 3.008 3.764 ( 1.102 2.489 1.281) 3.008 3.855 ( -1.468 -1.093 -0.744) 1.976 3.855 ( -1.468 1.093 -0.744) 1.976 5.232 ( 0.231 -0.443 0.153) 0.523 5.232 ( 0.231 0.443 0.153) 0.523 6.657 ( -0.040 -0.876 -0.259) 0.914 6.657 ( -0.040 0.876 -0.259) 0.914 6.904 ( 0.377 -0.930 -0.249) 1.034 6.904 ( 0.377 0.930 -0.249) 1.034 7.059 ( 0.032 -0.781 -0.357) 0.859 7.059 ( 0.032 0.781 -0.357) 0.859 7.349 ( -0.441 -0.922 0.416) 1.104 7.349 ( -0.441 0.922 0.416) 1.104 7.609 ( -0.626 -0.362 -0.697) 1.004 7.609 ( -0.626 0.362 -0.697) 1.004 9.521 ( -0.318 -0.520 -0.211) 0.645 9.521 ( -0.318 0.520 -0.211) 0.645 9.908 ( 0.061 -0.478 0.128) 0.499 9.908 ( 0.061 0.478 0.128) 0.499 11.397 ( -0.121 -0.979 -0.240) 1.015 11.397 ( -0.121 0.979 -0.240) 1.015 11.850 ( 0.103 -0.229 0.215) 0.330 11.850 ( 0.103 0.229 0.215) 0.330 14.377 ( -0.067 -0.235 -0.014) 0.244 14.377 ( -0.067 0.235 -0.014) 0.244 14.740 ( -0.108 -0.266 0.008) 0.287 14.740 ( -0.108 0.266 0.008) 0.287 18.279 ( 1.158 -0.735 0.259) 1.396 18.279 ( 1.158 0.735 0.259) 1.396 18.699 ( 0.593 -0.341 0.141) 0.698 18.699 ( 0.593 0.341 0.141) 0.698 19.365 ( 1.207 -0.918 -4.052) 4.327 19.365 ( 1.207 0.918 -4.052) 4.327 20.523 ( -3.232 -2.646 -1.498) 4.437 20.523 ( -3.232 2.646 -1.498) 4.437 22.277 ( 0.452 -2.654 1.537) 3.100 22.277 ( 0.452 2.654 1.537) 3.100 22.580 ( 0.919 -2.168 1.044) 2.575 22.580 ( 0.919 2.168 1.044) 2.575 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.43 -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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 3.142 -5.740 -1.203) 6.654 0.876 ( 3.142 5.740 -1.203) 6.654 1.116 ( 6.082 -3.615 -0.770) 7.117 1.116 ( 6.082 3.615 -0.770) 7.117 1.368 ( -4.469 -1.677 0.690) 4.823 1.368 ( -4.469 1.677 0.690) 4.823 1.457 ( -1.196 -1.905 2.687) 3.504 1.457 ( -1.196 1.905 2.687) 3.504 1.600 ( -3.613 -2.597 -2.933) 5.329 1.600 ( -3.613 2.597 -2.933) 5.329 1.689 ( -0.783 -6.286 0.876) 6.395 1.689 ( -0.783 6.286 0.876) 6.395 2.173 ( 14.063 -9.845 2.613) 17.364 2.173 ( 14.063 9.845 2.613) 17.364 2.384 ( 0.145 -4.648 -0.544) 4.682 2.384 ( 0.145 4.648 -0.544) 4.682 2.501 ( -9.153 -9.034 -0.504) 12.870 2.501 ( -9.153 9.034 -0.504) 12.870 2.888 ( -0.823 -3.242 -0.766) 3.431 2.888 ( -0.823 3.242 -0.766) 3.431 3.785 ( 0.381 -2.516 0.396) 2.575 3.785 ( 0.381 2.516 0.396) 2.575 3.831 ( -0.560 -0.567 -0.248) 0.835 3.831 ( -0.560 0.567 -0.248) 0.835 5.236 ( 0.121 -0.403 0.071) 0.426 5.236 ( 0.121 0.403 0.071) 0.426 6.655 ( -0.021 -0.515 -0.093) 0.524 6.655 ( -0.021 0.515 -0.093) 0.524 6.910 ( 0.231 -0.696 -0.136) 0.746 6.910 ( 0.231 0.696 -0.136) 0.746 7.057 ( -0.018 -0.983 -0.161) 0.996 7.057 ( -0.018 0.983 -0.161) 0.996 7.344 ( -0.176 -0.959 0.138) 0.985 7.344 ( -0.176 0.959 0.138) 0.985 7.596 ( -0.314 -0.189 -0.241) 0.439 7.596 ( -0.314 0.189 -0.241) 0.439 9.516 ( -0.125 -0.411 -0.068) 0.435 9.516 ( -0.125 0.411 -0.068) 0.435 9.908 ( -0.014 -0.457 0.038) 0.459 9.908 ( -0.014 0.457 0.038) 0.459 11.394 ( -0.053 -0.960 -0.111) 0.968 11.394 ( -0.053 0.960 -0.111) 0.968 11.853 ( 0.066 -0.096 0.092) 0.149 11.853 ( 0.066 0.096 0.092) 0.149 14.376 ( -0.035 -0.215 -0.005) 0.218 14.376 ( -0.035 0.215 -0.005) 0.218 14.738 ( -0.048 -0.270 0.004) 0.274 14.738 ( -0.048 0.270 0.004) 0.274 18.299 ( 0.510 -0.499 0.117) 0.724 18.299 ( 0.510 0.499 0.117) 0.724 18.710 ( 0.271 -0.257 0.324) 0.495 18.710 ( 0.271 0.257 0.324) 0.495 19.364 ( 0.353 -0.877 -1.827) 2.057 19.364 ( 0.353 0.877 -1.827) 2.057 20.473 ( -1.153 -2.471 -0.515) 2.775 20.473 ( -1.153 2.471 -0.515) 2.775 22.286 ( 0.040 -2.907 0.504) 2.951 22.286 ( 0.040 2.907 0.504) 2.951 22.599 ( 0.398 -2.518 0.451) 2.589 22.599 ( 0.398 2.518 0.451) 2.589 ======================= Grid point 35 (13/96) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 7.388 0.000 16.304) 17.900 0.350 ( -1.177 0.000 17.226) 17.266 0.907 ( -9.131 0.000 35.351) 36.511 1.142 ( 0.049 0.000 4.305) 4.306 1.303 ( -0.277 0.000 6.415) 6.421 1.439 ( 0.906 0.000 0.228) 0.934 1.449 ( -3.655 0.000 -1.424) 3.922 1.570 ( 3.428 0.000 2.551) 4.273 1.727 ( -1.504 0.000 -0.291) 1.532 1.869 ( -2.837 0.000 -0.185) 2.843 1.970 ( -8.384 0.000 32.298) 33.368 1.979 ( -1.561 0.000 5.842) 6.047 2.183 ( -0.935 0.000 -3.273) 3.403 2.198 ( 7.061 0.000 2.850) 7.614 2.317 ( 5.122 0.000 11.418) 12.514 2.397 ( 4.418 0.000 5.305) 6.903 2.565 ( 0.518 0.000 -0.968) 1.098 2.668 ( 2.045 0.000 0.706) 2.164 2.693 ( -4.951 0.000 -0.335) 4.962 2.787 ( -9.499 0.000 -0.902) 9.542 3.665 ( 0.163 0.000 -1.952) 1.959 3.751 ( 2.545 0.000 -0.858) 2.686 3.768 ( 1.221 0.000 -6.588) 6.700 3.857 ( 0.911 0.000 -7.913) 7.965 5.118 ( 2.986 0.000 -9.940) 10.379 5.148 ( 2.056 0.000 -10.720) 10.915 6.620 ( 0.020 0.000 -0.228) 0.229 6.683 ( 0.263 0.000 -1.373) 1.398 6.901 ( -0.892 0.000 3.436) 3.550 6.981 ( -1.153 0.000 2.824) 3.050 7.153 ( -2.990 0.000 11.114) 11.509 7.198 ( -2.942 0.000 11.048) 11.433 7.271 ( 0.838 0.000 -4.061) 4.146 7.305 ( 1.624 0.000 -5.254) 5.499 7.691 ( -1.981 0.000 6.469) 6.765 7.725 ( -1.920 0.000 6.994) 7.252 9.505 ( 0.508 0.000 -1.489) 1.573 9.532 ( 0.201 0.000 -1.521) 1.534 9.884 ( 0.185 0.000 -0.325) 0.374 9.909 ( 0.205 0.000 -0.354) 0.409 11.378 ( -0.234 0.000 -0.673) 0.712 11.419 ( 0.047 0.000 -0.643) 0.645 11.785 ( 1.430 0.000 -4.540) 4.760 11.810 ( 1.438 0.000 -4.659) 4.876 14.384 ( -0.302 0.000 1.124) 1.164 14.398 ( -0.454 0.000 1.138) 1.225 14.724 ( 0.284 0.000 -1.138) 1.173 14.739 ( 0.328 0.000 -1.044) 1.095 18.233 ( -0.745 0.000 1.888) 2.030 18.291 ( 0.155 0.000 1.871) 1.877 18.717 ( 0.058 0.000 2.578) 2.578 18.992 ( -5.380 0.000 -3.239) 6.280 19.445 ( -4.305 0.000 10.448) 11.300 19.883 ( -35.448 0.000 6.024) 35.957 20.473 ( -1.209 0.000 2.825) 3.072 20.673 ( -1.513 0.000 1.331) 2.015 22.228 ( -0.015 0.000 0.276) 0.276 22.392 ( 8.610 0.000 1.429) 8.728 22.488 ( 0.804 0.000 -1.723) 1.901 22.571 ( 1.501 0.000 -1.481) 2.108 ======================= Grid point 36 (14/96) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 12.483 0.000 11.532) 16.994 0.714 ( 20.280 0.000 7.527) 21.632 0.977 ( -0.927 0.000 34.598) 34.611 1.194 ( 2.278 0.000 5.007) 5.501 1.361 ( 1.698 0.000 3.250) 3.667 1.367 ( -4.112 0.000 1.352) 4.328 1.467 ( 2.404 0.000 0.805) 2.535 1.601 ( -1.437 0.000 0.396) 1.491 1.679 ( -3.041 0.000 -0.220) 3.048 1.812 ( -4.225 0.000 4.023) 5.834 1.958 ( -9.077 0.000 29.984) 31.328 1.973 ( -1.257 0.000 3.164) 3.405 2.126 ( -3.296 0.000 0.301) 3.310 2.166 ( -9.291 0.000 20.029) 22.079 2.403 ( -0.506 0.000 -1.359) 1.450 2.438 ( -5.630 0.000 5.054) 7.566 2.526 ( -3.903 0.000 -0.731) 3.971 2.614 ( 1.236 0.000 -1.763) 2.153 2.779 ( 6.463 0.000 1.593) 6.656 2.847 ( 9.330 0.000 -12.530) 15.622 3.665 ( 0.631 0.000 -1.120) 1.285 3.750 ( 0.775 0.000 -6.987) 7.030 3.797 ( 2.539 0.000 -0.478) 2.583 3.818 ( 0.060 0.000 -8.962) 8.962 5.125 ( 2.812 0.000 -9.716) 10.115 5.129 ( 2.481 0.000 -10.550) 10.838 6.622 ( 0.355 0.000 -0.254) 0.436 6.677 ( -0.106 0.000 -1.427) 1.431 6.908 ( -0.414 0.000 3.635) 3.658 6.973 ( -1.221 0.000 3.377) 3.591 7.159 ( -2.471 0.000 10.742) 11.022 7.191 ( -3.794 0.000 11.048) 11.681 7.264 ( 0.768 0.000 -4.478) 4.544 7.305 ( 1.182 0.000 -5.168) 5.301 7.683 ( -2.331 0.000 6.656) 7.053 7.720 ( -2.398 0.000 7.043) 7.440 9.505 ( 0.210 0.000 -1.375) 1.391 9.526 ( 0.100 0.000 -1.612) 1.615 9.887 ( 0.242 0.000 -0.349) 0.425 9.911 ( 0.190 0.000 -0.212) 0.285 11.368 ( -0.285 0.000 -0.743) 0.795 11.416 ( 0.010 0.000 -0.821) 0.821 11.791 ( 1.599 0.000 -4.470) 4.747 11.813 ( 1.317 0.000 -4.469) 4.659 14.383 ( -0.376 0.000 1.108) 1.171 14.396 ( -0.350 0.000 1.151) 1.203 14.723 ( 0.214 0.000 -1.145) 1.165 14.739 ( 0.236 0.000 -1.015) 1.042 18.241 ( 0.475 0.000 1.672) 1.738 18.311 ( 0.545 0.000 2.329) 2.392 18.727 ( -0.284 0.000 2.280) 2.298 18.810 ( -8.392 0.000 5.302) 9.926 19.429 ( -3.114 0.000 10.640) 11.087 19.483 ( -10.278 0.000 15.055) 18.229 20.457 ( -1.762 0.000 2.565) 3.112 20.630 ( -3.007 0.000 0.880) 3.133 22.226 ( -0.242 0.000 -0.020) 0.243 22.453 ( -0.725 0.000 0.776) 1.062 22.495 ( 0.823 0.000 -1.816) 1.994 22.603 ( 2.067 0.000 -0.749) 2.198 ======================= Grid point 37 (15/96) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 14.525 0.000 6.310) 15.837 1.016 ( 4.544 0.000 20.507) 21.004 1.253 ( -1.258 0.000 4.644) 4.811 1.305 ( 15.338 0.000 12.876) 20.026 1.323 ( 0.346 0.000 3.711) 3.727 1.385 ( 0.953 0.000 -0.961) 1.353 1.517 ( 0.404 0.000 1.844) 1.888 1.537 ( -3.453 0.000 -0.815) 3.548 1.615 ( -3.791 0.000 2.276) 4.422 1.753 ( -2.887 0.000 5.480) 6.194 1.922 ( -6.082 0.000 -1.514) 6.268 1.932 ( -11.290 0.000 34.242) 36.055 2.077 ( -1.811 0.000 3.645) 4.070 2.126 ( -5.850 0.000 21.823) 22.593 2.297 ( -7.464 0.000 2.032) 7.736 2.376 ( -5.192 0.000 -2.964) 5.979 2.433 ( 0.370 0.000 -1.280) 1.333 2.683 ( 3.789 0.000 1.224) 3.982 2.863 ( -0.629 0.000 -10.626) 10.644 2.909 ( 5.051 0.000 0.891) 5.129 3.672 ( 0.567 0.000 -1.221) 1.347 3.728 ( 1.021 0.000 -7.060) 7.133 3.775 ( 0.835 0.000 -8.821) 8.860 3.839 ( 1.732 0.000 -1.241) 2.131 5.118 ( 2.574 0.000 -10.536) 10.846 5.138 ( 3.284 0.000 -9.934) 10.463 6.630 ( 0.592 0.000 -0.361) 0.693 6.665 ( -0.221 0.000 -1.452) 1.469 6.920 ( -0.416 0.000 3.337) 3.363 6.973 ( -0.816 0.000 3.920) 4.004 7.162 ( -3.333 0.000 11.198) 11.683 7.182 ( -2.569 0.000 10.341) 10.656 7.255 ( 0.912 0.000 -4.563) 4.653 7.298 ( 0.945 0.000 -5.188) 5.274 7.673 ( -2.215 0.000 6.924) 7.269 7.707 ( -2.696 0.000 7.166) 7.656 9.500 ( 0.089 0.000 -1.290) 1.293 9.519 ( 0.100 0.000 -1.549) 1.552 9.889 ( 0.136 0.000 -0.350) 0.375 9.914 ( 0.121 0.000 -0.220) 0.251 11.362 ( 0.081 0.000 -0.714) 0.718 11.412 ( 0.090 0.000 -0.969) 0.973 11.798 ( 1.517 0.000 -4.532) 4.779 11.814 ( 1.181 0.000 -4.378) 4.534 14.382 ( -0.354 0.000 1.078) 1.134 14.395 ( -0.395 0.000 1.115) 1.183 14.721 ( 0.211 0.000 -1.131) 1.150 14.737 ( 0.179 0.000 -1.009) 1.025 18.265 ( 0.918 0.000 1.331) 1.617 18.333 ( 0.215 0.000 2.455) 2.465 18.731 ( -0.901 0.000 1.933) 2.133 18.737 ( -1.629 0.000 1.766) 2.403 19.426 ( -2.607 0.000 12.248) 12.523 19.466 ( -1.213 0.000 11.682) 11.744 20.435 ( -1.659 0.000 2.793) 3.249 20.576 ( -2.644 0.000 1.527) 3.053 22.219 ( -0.337 0.000 -0.400) 0.523 22.428 ( -1.900 0.000 1.050) 2.171 22.500 ( 0.696 0.000 -2.103) 2.215 22.636 ( 1.521 0.000 -1.169) 1.918 ======================= Grid point 38 (16/96) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -1.216 0.000 19.122) 19.160 1.178 ( 6.750 0.000 2.408) 7.167 1.227 ( -1.309 0.000 4.918) 5.089 1.370 ( -0.424 0.000 -1.128) 1.205 1.386 ( 2.028 0.000 2.143) 2.950 1.490 ( -1.180 0.000 3.289) 3.494 1.499 ( -1.043 0.000 5.595) 5.691 1.562 ( -2.214 0.000 1.095) 2.470 1.567 ( 3.022 0.000 1.315) 3.295 1.732 ( -8.574 0.000 -0.579) 8.594 1.854 ( 9.163 0.000 6.741) 11.375 1.893 ( -11.305 0.000 38.063) 39.706 2.081 ( -11.416 0.000 13.321) 17.544 2.087 ( -0.014 0.000 4.135) 4.135 2.192 ( -3.820 0.000 0.038) 3.820 2.212 ( -6.980 0.000 5.479) 8.874 2.519 ( 5.808 0.000 -4.456) 7.320 2.752 ( 1.852 0.000 2.304) 2.956 2.765 ( -1.801 0.000 -6.012) 6.276 2.975 ( 1.279 0.000 -0.728) 1.472 3.672 ( 0.205 0.000 -1.841) 1.852 3.721 ( 2.053 0.000 -6.483) 6.800 3.762 ( 2.360 0.000 -7.632) 7.988 3.845 ( -0.103 0.000 -2.621) 2.623 5.113 ( 2.657 0.000 -10.848) 11.168 5.148 ( 3.039 0.000 -9.793) 10.253 6.640 ( 0.388 0.000 -0.414) 0.567 6.655 ( 0.184 0.000 -1.481) 1.492 6.926 ( -0.681 0.000 3.056) 3.131 6.980 ( -0.649 0.000 3.868) 3.922 7.158 ( -3.080 0.000 11.514) 11.919 7.193 ( -2.245 0.000 10.553) 10.789 7.252 ( 1.204 0.000 -4.256) 4.423 7.289 ( 1.122 0.000 -5.306) 5.424 7.672 ( -1.732 0.000 7.050) 7.260 7.693 ( -2.526 0.000 7.294) 7.720 9.496 ( 0.171 0.000 -1.345) 1.356 9.516 ( 0.397 0.000 -1.314) 1.373 9.889 ( 0.020 0.000 -0.362) 0.363 9.914 ( 0.070 0.000 -0.306) 0.314 11.362 ( 0.318 0.000 -0.588) 0.669 11.411 ( 0.354 0.000 -0.860) 0.930 11.801 ( 1.253 0.000 -4.662) 4.827 11.812 ( 1.074 0.000 -4.468) 4.595 14.381 ( -0.290 0.000 1.077) 1.115 14.393 ( -0.358 0.000 1.104) 1.161 14.719 ( 0.279 0.000 -1.105) 1.139 14.735 ( 0.200 0.000 -1.029) 1.048 18.287 ( 0.483 0.000 0.998) 1.109 18.341 ( -0.780 0.000 2.258) 2.389 18.707 ( -1.229 0.000 0.042) 1.229 18.741 ( 0.361 0.000 0.899) 0.968 19.460 ( -1.255 0.000 12.885) 12.946 19.528 ( -0.027 0.000 14.875) 14.875 20.425 ( -0.905 0.000 3.367) 3.486 20.550 ( -0.926 0.000 2.698) 2.852 22.211 ( -0.054 0.000 -0.577) 0.580 22.392 ( -1.889 0.000 -0.209) 1.901 22.499 ( 0.464 0.000 -2.463) 2.506 22.646 ( 0.335 0.000 -2.288) 2.312 ======================= Grid point 39 (17/96) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -11.517 0.000 10.207) 15.389 1.130 ( -10.704 0.000 -0.728) 10.728 1.256 ( 1.048 0.000 3.766) 3.909 1.348 ( -6.869 0.000 5.825) 9.006 1.364 ( 0.333 0.000 -3.279) 3.296 1.490 ( -0.363 0.000 -1.580) 1.621 1.557 ( 0.314 0.000 2.901) 2.918 1.572 ( 4.045 0.000 3.790) 5.543 1.577 ( -2.658 0.000 6.985) 7.473 1.767 ( 9.281 0.000 0.866) 9.321 1.777 ( -16.956 0.000 16.174) 23.433 1.886 ( -9.948 0.000 40.217) 41.429 2.098 ( -2.165 0.000 4.643) 5.123 2.120 ( 0.310 0.000 4.518) 4.529 2.141 ( -0.022 0.000 -1.439) 1.439 2.178 ( 5.315 0.000 7.268) 9.004 2.471 ( -5.535 0.000 -5.319) 7.677 2.778 ( -0.706 0.000 3.141) 3.219 2.856 ( 10.854 0.000 -4.013) 11.572 2.953 ( -2.469 0.000 -2.039) 3.202 3.662 ( 0.038 0.000 -2.526) 2.527 3.737 ( 2.684 0.000 -5.779) 6.372 3.785 ( 3.621 0.000 -6.414) 7.366 3.810 ( -1.369 0.000 -4.202) 4.419 5.106 ( 2.641 0.000 -10.874) 11.190 5.152 ( 2.645 0.000 -9.610) 9.968 6.637 ( -0.170 0.000 -0.641) 0.663 6.660 ( 0.886 0.000 -1.257) 1.538 6.924 ( -1.153 0.000 2.896) 3.117 6.986 ( -0.838 0.000 3.631) 3.726 7.163 ( -2.809 0.000 11.562) 11.898 7.205 ( -2.460 0.000 11.358) 11.621 7.257 ( 1.456 0.000 -3.785) 4.055 7.286 ( 1.506 0.000 -5.447) 5.652 7.678 ( -1.634 0.000 7.060) 7.246 7.690 ( -1.541 0.000 7.243) 7.405 9.493 ( 0.370 0.000 -1.397) 1.445 9.521 ( 0.726 0.000 -1.081) 1.303 9.887 ( 0.023 0.000 -0.469) 0.470 9.913 ( -0.003 0.000 -0.349) 0.349 11.367 ( 0.394 0.000 -0.364) 0.536 11.416 ( 0.497 0.000 -0.648) 0.816 11.798 ( 1.005 0.000 -4.799) 4.903 11.808 ( 1.053 0.000 -4.636) 4.754 14.382 ( -0.250 0.000 1.098) 1.126 14.393 ( -0.218 0.000 1.098) 1.120 14.720 ( 0.364 0.000 -1.086) 1.145 14.734 ( 0.285 0.000 -1.063) 1.101 18.293 ( -0.349 0.000 0.933) 0.996 18.326 ( -1.809 0.000 1.888) 2.615 18.686 ( -0.619 0.000 -0.256) 0.670 18.768 ( 1.800 0.000 2.499) 3.080 19.501 ( -2.153 0.000 13.325) 13.498 19.627 ( 0.635 0.000 19.595) 19.605 20.435 ( -0.132 0.000 3.754) 3.757 20.569 ( 0.993 0.000 3.717) 3.847 22.211 ( 0.324 0.000 -0.537) 0.627 22.349 ( -1.812 0.000 -1.954) 2.665 22.492 ( 0.303 0.000 -2.640) 2.658 22.626 ( -0.673 0.000 -3.311) 3.378 ======================= Grid point 40 (18/96) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -17.628 0.000 1.474) 17.689 0.877 ( -15.786 0.000 4.290) 16.359 1.224 ( -5.286 0.000 2.344) 5.782 1.242 ( -16.754 0.000 6.960) 18.143 1.349 ( 3.168 0.000 6.300) 7.052 1.425 ( -5.965 0.000 3.194) 6.766 1.504 ( -5.502 0.000 3.331) 6.431 1.510 ( 1.919 0.000 -1.923) 2.717 1.674 ( 3.981 0.000 3.229) 5.126 1.766 ( 0.313 0.000 16.251) 16.254 1.928 ( -8.515 0.000 42.071) 42.924 1.934 ( 3.524 0.000 0.727) 3.598 2.066 ( -6.277 0.000 10.960) 12.630 2.105 ( 4.232 0.000 1.147) 4.385 2.160 ( 1.233 0.000 1.161) 1.694 2.346 ( -2.308 0.000 -6.491) 6.890 2.376 ( 8.173 0.000 0.731) 8.206 2.756 ( -3.192 0.000 2.705) 4.184 2.870 ( -4.246 0.000 -1.216) 4.417 3.039 ( 8.816 0.000 -7.837) 11.796 3.652 ( 0.611 0.000 -2.193) 2.276 3.753 ( -1.412 0.000 -5.168) 5.358 3.759 ( 2.498 0.000 -5.760) 6.278 3.829 ( 3.773 0.000 -5.938) 7.035 5.103 ( 2.863 0.000 -10.499) 10.882 5.151 ( 2.361 0.000 -9.290) 9.585 6.630 ( -0.214 0.000 -0.545) 0.585 6.672 ( 0.898 0.000 -1.264) 1.551 6.914 ( -1.420 0.000 3.003) 3.322 6.987 ( -0.870 0.000 3.339) 3.451 7.165 ( -3.215 0.000 11.195) 11.648 7.215 ( -2.991 0.000 11.737) 12.113 7.267 ( 1.398 0.000 -3.447) 3.720 7.290 ( 1.832 0.000 -5.547) 5.841 7.684 ( -1.514 0.000 6.901) 7.065 7.705 ( -1.038 0.000 7.077) 7.152 9.496 ( 0.642 0.000 -1.364) 1.508 9.530 ( 0.686 0.000 -1.102) 1.298 9.885 ( 0.070 0.000 -0.532) 0.536 9.910 ( -0.046 0.000 -0.391) 0.393 11.374 ( 0.414 0.000 -0.128) 0.433 11.421 ( 0.295 0.000 -0.574) 0.645 11.790 ( 0.905 0.000 -4.833) 4.917 11.806 ( 1.248 0.000 -4.767) 4.928 14.383 ( -0.250 0.000 1.107) 1.135 14.396 ( -0.108 0.000 1.090) 1.095 14.722 ( 0.400 0.000 -1.089) 1.160 14.735 ( 0.370 0.000 -1.085) 1.146 18.282 ( -1.708 0.000 1.737) 2.436 18.297 ( -1.396 0.000 1.088) 1.770 18.683 ( 0.162 0.000 0.775) 0.791 18.853 ( 4.592 0.000 4.872) 6.695 19.511 ( -4.019 0.000 12.752) 13.370 19.785 ( 3.444 0.000 26.786) 27.007 20.456 ( 0.043 0.000 3.703) 3.703 20.622 ( 1.829 0.000 3.796) 4.214 22.217 ( 0.438 0.000 -0.234) 0.497 22.295 ( -2.127 0.000 -3.509) 4.104 22.485 ( 0.379 0.000 -2.434) 2.463 22.590 ( -0.768 0.000 -3.552) 3.634 ======================= Grid point 41 (19/96) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -16.630 0.000 8.318) 18.594 0.503 ( -21.863 0.000 1.665) 21.926 0.970 ( -16.047 0.000 27.369) 31.726 1.151 ( -3.044 0.000 3.296) 4.487 1.339 ( -5.726 0.000 4.718) 7.419 1.430 ( -1.300 0.000 -0.317) 1.338 1.461 ( 4.805 0.000 3.915) 6.198 1.511 ( -0.986 0.000 -2.280) 2.484 1.739 ( 0.609 0.000 1.203) 1.349 1.859 ( 1.277 0.000 12.593) 12.658 1.962 ( -0.153 0.000 5.200) 5.202 1.977 ( -7.961 0.000 25.338) 26.559 2.013 ( -5.642 0.000 26.143) 26.745 2.184 ( 2.713 0.000 -4.820) 5.531 2.258 ( 6.272 0.000 4.869) 7.940 2.297 ( 0.024 0.000 -3.726) 3.726 2.513 ( 4.945 0.000 -0.447) 4.965 2.686 ( -3.691 0.000 0.562) 3.733 2.786 ( -4.234 0.000 1.004) 4.352 3.050 ( -3.694 0.000 -14.408) 14.874 3.669 ( 1.181 0.000 -0.825) 1.441 3.713 ( 0.868 0.000 -3.988) 4.081 3.771 ( 1.905 0.000 -6.135) 6.424 3.861 ( 2.623 0.000 -6.581) 7.085 5.109 ( 3.296 0.000 -10.055) 10.582 5.150 ( 2.665 0.000 -9.174) 9.553 6.623 ( -0.186 0.000 -0.349) 0.395 6.681 ( 0.666 0.000 -1.316) 1.476 6.904 ( -1.150 0.000 3.187) 3.388 6.987 ( -0.911 0.000 2.881) 3.022 7.158 ( -3.450 0.000 11.135) 11.658 7.208 ( -3.814 0.000 10.947) 11.592 7.273 ( 1.073 0.000 -3.593) 3.750 7.298 ( 1.923 0.000 -5.429) 5.760 7.691 ( -1.540 0.000 6.584) 6.762 7.720 ( -1.388 0.000 7.006) 7.142 9.502 ( 0.653 0.000 -1.451) 1.591 9.534 ( 0.378 0.000 -1.355) 1.407 9.884 ( 0.088 0.000 -0.426) 0.435 9.908 ( 0.077 0.000 -0.433) 0.440 11.380 ( 0.239 0.000 -0.224) 0.327 11.421 ( 0.088 0.000 -0.580) 0.586 11.784 ( 1.123 0.000 -4.708) 4.840 11.806 ( 1.418 0.000 -4.788) 4.993 14.384 ( -0.267 0.000 1.112) 1.144 14.399 ( -0.208 0.000 1.002) 1.023 14.724 ( 0.365 0.000 -1.113) 1.171 14.737 ( 0.388 0.000 -1.076) 1.144 18.251 ( -1.949 0.000 1.983) 2.780 18.286 ( -0.483 0.000 1.262) 1.351 18.698 ( 0.451 0.000 2.003) 2.053 18.983 ( 5.107 0.000 1.245) 5.257 19.483 ( -5.091 0.000 11.543) 12.616 20.090 ( 10.198 0.000 20.851) 23.212 20.472 ( -0.434 0.000 3.315) 3.343 20.669 ( 0.749 0.000 2.697) 2.799 22.231 ( 1.126 0.000 2.079) 2.364 22.235 ( -1.311 0.000 -0.654) 1.465 22.483 ( 0.639 0.000 -1.959) 2.061 22.565 ( 0.182 0.000 -2.800) 2.805 ======================= Grid point 42 (20/96) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -1.797 15.321 7.962) 17.360 0.704 ( 2.954 20.210 7.980) 21.928 0.967 ( -5.285 5.677 22.381) 23.687 1.089 ( -2.368 -5.331 7.933) 9.847 1.182 ( -2.540 -5.931 7.684) 10.033 1.448 ( 1.083 0.791 -0.352) 1.386 1.481 ( -0.820 0.362 0.112) 0.903 1.598 ( -0.128 2.612 2.973) 3.960 1.704 ( -1.326 -2.585 0.341) 2.925 1.901 ( -3.942 0.315 13.201) 13.781 1.911 ( 0.533 -9.872 -1.857) 10.060 1.991 ( 3.114 -4.408 16.016) 16.901 2.025 ( -7.551 -0.382 17.809) 19.347 2.130 ( 2.493 -1.192 12.954) 13.246 2.202 ( -5.756 -3.633 6.228) 9.226 2.345 ( 2.510 -4.949 5.423) 7.759 2.578 ( 0.575 1.271 0.068) 1.397 2.621 ( -3.860 -1.104 2.221) 4.588 2.906 ( 5.690 9.474 -8.668) 14.046 2.985 ( -4.689 7.917 -12.101) 15.202 3.667 ( 0.783 0.569 -1.626) 1.892 3.729 ( 2.569 -1.590 -1.541) 3.392 3.797 ( 1.481 1.900 -7.102) 7.499 3.856 ( 1.019 -0.433 -7.488) 7.569 5.118 ( 2.866 0.008 -9.936) 10.341 5.131 ( 2.349 -0.879 -9.861) 10.175 6.638 ( 0.021 1.227 -0.583) 1.358 6.680 ( 0.011 -0.445 -1.128) 1.212 6.909 ( -0.807 0.809 3.428) 3.614 6.966 ( -0.999 -1.287 2.846) 3.279 7.159 ( -3.065 0.533 11.041) 11.471 7.190 ( -3.168 -0.657 10.936) 11.405 7.280 ( 1.059 0.662 -4.240) 4.420 7.304 ( 1.621 -0.235 -5.129) 5.384 7.700 ( -2.243 0.594 6.440) 6.846 7.721 ( -2.038 -0.325 6.900) 7.202 9.507 ( 0.309 0.267 -1.547) 1.600 9.527 ( 0.192 -0.410 -1.564) 1.629 9.888 ( 0.219 0.350 -0.338) 0.533 9.906 ( 0.289 -0.285 -0.349) 0.536 11.383 ( -0.158 0.470 -0.551) 0.741 11.413 ( 0.025 -0.599 -0.633) 0.871 11.790 ( 1.440 0.435 -4.643) 4.880 11.808 ( 1.436 -0.209 -4.637) 4.859 14.386 ( -0.309 0.154 1.126) 1.178 14.395 ( -0.371 -0.204 1.163) 1.238 14.726 ( 0.289 0.204 -1.127) 1.181 14.737 ( 0.324 -0.170 -1.085) 1.146 18.243 ( -0.617 0.812 1.901) 2.157 18.284 ( 0.039 -0.697 1.878) 2.003 18.728 ( -0.463 1.148 3.279) 3.505 18.885 ( -5.495 -7.134 4.567) 10.097 19.451 ( -4.879 0.698 10.953) 12.011 19.605 ( -15.699 -10.870 18.868) 26.844 20.595 ( -3.185 4.487 -2.707) 6.132 20.673 ( -1.485 -0.281 0.807) 1.713 22.232 ( 0.232 0.510 0.770) 0.952 22.310 ( 4.258 -3.959 4.221) 7.185 22.504 ( 1.180 1.168 -1.242) 2.073 22.561 ( 1.416 -0.978 -1.367) 2.198 ======================= Grid point 43 (21/96) ======================= q-point: ( 0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 8.734 7.570 8.874) 14.571 0.886 ( 4.705 7.675 15.842) 18.221 1.115 ( 8.129 3.847 13.393) 16.132 1.121 ( 2.022 -3.279 9.438) 10.194 1.197 ( 0.743 -1.592 7.390) 7.596 1.452 ( -0.757 2.032 0.030) 2.168 1.480 ( 0.901 1.019 1.783) 2.243 1.591 ( -2.056 -0.472 0.711) 2.227 1.671 ( -1.748 -2.005 0.016) 2.660 1.831 ( -6.726 4.206 4.423) 9.083 1.942 ( -4.296 -2.942 19.490) 20.174 1.984 ( -2.742 -8.678 11.351) 14.549 2.068 ( -4.252 -0.427 12.508) 13.218 2.113 ( -6.519 -3.004 8.264) 10.946 2.209 ( -1.551 -3.955 8.875) 9.839 2.436 ( 2.754 -4.332 0.140) 5.135 2.573 ( -1.036 1.691 2.390) 3.106 2.614 ( 3.148 -1.708 -0.884) 3.689 2.828 ( -3.893 8.338 -4.310) 10.161 2.966 ( 3.516 3.691 -11.489) 12.569 3.681 ( 1.232 1.471 -1.471) 2.418 3.771 ( 2.279 -1.164 -3.757) 4.545 3.776 ( 0.449 1.005 -5.413) 5.524 3.821 ( 0.122 -0.096 -7.169) 7.170 5.121 ( 2.654 -0.223 -9.747) 10.104 5.125 ( 2.851 -0.263 -10.321) 10.711 6.636 ( 0.122 1.018 -0.481) 1.132 6.672 ( -0.143 -0.465 -1.165) 1.262 6.916 ( -0.484 0.691 3.489) 3.589 6.961 ( -1.038 -1.023 3.256) 3.568 7.161 ( -2.706 0.206 10.649) 10.989 7.182 ( -3.495 -0.642 10.787) 11.357 7.275 ( 0.842 0.862 -4.508) 4.666 7.304 ( 1.117 -0.228 -5.053) 5.180 7.688 ( -2.403 0.497 6.760) 7.192 7.714 ( -2.414 -0.469 7.036) 7.454 9.504 ( 0.193 0.053 -1.383) 1.398 9.521 ( 0.072 -0.450 -1.601) 1.665 9.892 ( 0.298 0.434 -0.344) 0.629 9.910 ( 0.274 -0.176 -0.348) 0.477 11.375 ( -0.211 0.612 -0.747) 0.988 11.409 ( -0.016 -0.648 -0.812) 1.039 11.795 ( 1.512 0.361 -4.485) 4.746 11.811 ( 1.294 -0.194 -4.457) 4.645 14.385 ( -0.368 0.159 1.109) 1.179 14.394 ( -0.354 -0.179 1.142) 1.209 14.725 ( 0.216 0.220 -1.128) 1.169 14.737 ( 0.230 -0.191 -1.046) 1.088 18.252 ( 0.481 0.970 1.790) 2.092 18.302 ( 0.524 -0.844 2.251) 2.460 18.732 ( -0.682 0.464 2.686) 2.810 18.783 ( -5.459 -1.908 5.279) 7.830 19.428 ( -3.416 0.015 10.883) 11.407 19.459 ( -6.557 -1.449 13.105) 14.725 20.515 ( -3.405 4.028 0.580) 5.306 20.624 ( -3.274 -0.799 0.543) 3.414 22.240 ( 0.078 1.346 0.428) 1.415 22.376 ( 0.654 -4.844 1.553) 5.129 22.523 ( 0.977 1.587 -0.798) 2.028 22.590 ( 1.890 -1.156 -0.700) 2.324 ======================= Grid point 44 (22/96) ======================= q-point: ( 0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 11.768 -0.456 6.609) 13.505 1.055 ( 2.484 3.096 20.770) 21.146 1.168 ( -0.182 -9.823 4.858) 10.960 1.229 ( 2.257 -3.019 7.784) 8.649 1.419 ( -1.249 1.698 -1.499) 2.587 1.490 ( 12.312 12.646 8.340) 19.521 1.501 ( -0.130 -1.188 0.617) 1.344 1.533 ( -3.115 -0.309 -0.211) 3.137 1.642 ( -1.170 -2.061 0.696) 2.470 1.716 ( -4.195 3.389 4.431) 6.980 1.906 ( -11.133 -0.744 19.744) 22.678 1.927 ( -10.906 -3.574 17.632) 21.038 2.028 ( -6.092 -3.099 15.085) 16.561 2.131 ( 6.315 -5.426 5.717) 10.100 2.231 ( 0.045 3.336 2.758) 4.329 2.430 ( -0.915 -0.803 -1.213) 1.718 2.511 ( -7.471 6.611 -0.577) 9.993 2.667 ( 1.951 -2.175 -0.636) 2.991 2.811 ( 2.017 0.070 -1.986) 2.831 2.939 ( -0.308 -0.484 -5.468) 5.498 3.695 ( 1.069 1.890 -2.239) 3.119 3.746 ( 0.565 1.508 -6.397) 6.596 3.767 ( 0.928 -0.789 -8.146) 8.236 3.821 ( 1.380 -1.522 -1.488) 2.537 5.118 ( 2.687 0.068 -10.373) 10.715 5.132 ( 3.163 -0.442 -9.973) 10.472 6.639 ( 0.418 0.661 -0.517) 0.938 6.662 ( -0.117 -0.265 -1.275) 1.308 6.925 ( -0.470 0.521 3.314) 3.387 6.962 ( -0.748 -0.875 3.689) 3.865 7.162 ( -3.103 0.053 10.874) 11.308 7.177 ( -2.636 -0.475 10.297) 10.640 7.266 ( 0.837 0.869 -4.461) 4.621 7.295 ( 0.870 -0.258 -5.027) 5.109 7.679 ( -2.261 0.466 6.990) 7.361 7.702 ( -2.607 -0.403 7.174) 7.643 9.500 ( 0.146 0.036 -1.303) 1.312 9.514 ( 0.108 -0.435 -1.504) 1.569 9.895 ( 0.157 0.480 -0.380) 0.632 9.912 ( 0.121 -0.146 -0.327) 0.378 11.369 ( 0.073 0.644 -0.752) 0.992 11.404 ( 0.080 -0.670 -0.934) 1.152 11.801 ( 1.447 0.234 -4.497) 4.730 11.812 ( 1.200 -0.162 -4.384) 4.549 14.384 ( -0.359 0.162 1.082) 1.151 14.393 ( -0.389 -0.182 1.111) 1.191 14.723 ( 0.205 0.225 -1.113) 1.154 14.735 ( 0.182 -0.203 -1.030) 1.065 18.276 ( 0.813 0.952 1.511) 1.962 18.324 ( 0.306 -0.824 2.308) 2.470 18.732 ( -0.948 0.021 1.864) 2.092 18.735 ( -1.354 -0.114 1.703) 2.179 19.430 ( -2.225 0.357 11.991) 12.201 19.459 ( -1.326 -0.669 11.642) 11.737 20.466 ( -2.242 2.553 2.209) 4.053 20.564 ( -2.789 -1.178 1.444) 3.354 22.238 ( -0.236 1.842 -0.175) 1.866 22.376 ( -0.891 -3.743 0.528) 3.883 22.532 ( 0.501 2.157 -1.336) 2.587 22.620 ( 1.359 -1.463 -1.146) 2.302 ======================= Grid point 45 (23/96) ======================= q-point: ( 0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 6.480 -5.007 5.493) 9.861 1.156 ( -1.737 -5.979 4.900) 7.923 1.212 ( 0.505 2.536 14.116) 14.351 1.312 ( 1.540 -2.050 4.983) 5.604 1.402 ( 0.735 0.295 -0.027) 0.792 1.453 ( -2.046 -4.051 -1.245) 4.707 1.499 ( -7.507 1.556 5.388) 9.371 1.514 ( -0.690 0.575 5.543) 5.616 1.632 ( -1.052 -0.276 0.943) 1.440 1.728 ( -7.430 -3.040 7.248) 10.816 1.859 ( -6.148 0.643 28.088) 28.760 1.920 ( 3.602 1.813 10.687) 11.423 2.019 ( 0.862 2.140 12.677) 12.885 2.192 ( -7.265 7.737 3.142) 11.069 2.258 ( -0.405 2.991 0.891) 3.147 2.333 ( -5.488 7.770 2.366) 9.802 2.462 ( 5.359 -5.036 -3.297) 8.059 2.641 ( -3.366 -6.600 -1.621) 7.584 2.820 ( 1.156 2.021 -1.120) 2.583 2.939 ( 0.948 -3.093 -1.053) 3.402 3.699 ( 0.706 2.154 -2.815) 3.614 3.733 ( 1.490 1.123 -5.858) 6.148 3.756 ( 2.291 -0.576 -7.403) 7.771 3.825 ( -0.122 -1.840 -2.448) 3.065 5.115 ( 2.688 0.269 -10.641) 10.978 5.140 ( 2.965 -0.653 -9.894) 10.350 6.644 ( 0.357 0.394 -0.572) 0.781 6.655 ( 0.235 -0.016 -1.323) 1.344 6.932 ( -0.671 0.493 3.096) 3.206 6.969 ( -0.653 -0.930 3.648) 3.821 7.161 ( -2.931 0.279 11.261) 11.640 7.185 ( -2.301 -0.642 10.442) 10.712 7.262 ( 1.089 0.743 -4.157) 4.361 7.287 ( 1.072 -0.250 -5.070) 5.188 7.676 ( -1.810 0.362 7.111) 7.347 7.691 ( -2.366 -0.182 7.290) 7.667 9.497 ( 0.232 0.110 -1.314) 1.339 9.511 ( 0.384 -0.416 -1.298) 1.416 9.895 ( 0.033 0.487 -0.399) 0.630 9.912 ( 0.068 -0.176 -0.363) 0.409 11.369 ( 0.308 0.599 -0.632) 0.924 11.403 ( 0.334 -0.669 -0.826) 1.115 11.803 ( 1.224 0.168 -4.619) 4.781 11.811 ( 1.096 -0.119 -4.480) 4.614 14.383 ( -0.301 0.147 1.078) 1.129 14.391 ( -0.349 -0.169 1.098) 1.165 14.722 ( 0.267 0.216 -1.093) 1.146 14.733 ( 0.211 -0.197 -1.040) 1.080 18.296 ( 0.293 0.772 1.187) 1.446 18.334 ( -0.603 -0.652 2.077) 2.259 18.711 ( -1.056 0.392 0.157) 1.137 18.735 ( 0.053 -0.511 0.759) 0.916 19.468 ( -1.126 0.723 13.098) 13.167 19.515 ( -0.293 -1.046 14.495) 14.536 20.448 ( -0.941 1.986 3.176) 3.862 20.537 ( -0.956 -1.283 2.704) 3.142 22.231 ( -0.176 1.837 -0.551) 1.926 22.353 ( -1.243 -2.966 -0.440) 3.246 22.529 ( 0.159 2.271 -2.193) 3.162 22.628 ( 0.283 -1.658 -2.242) 2.803 ======================= Grid point 46 (24/96) ======================= q-point: (-0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -10.554 -3.099 2.679) 11.321 1.177 ( -1.597 -5.986 1.932) 6.490 1.197 ( -8.370 2.354 7.991) 11.809 1.345 ( -5.279 -0.531 7.693) 9.345 1.364 ( -0.397 0.420 -2.008) 2.089 1.451 ( 1.898 -4.675 0.427) 5.064 1.464 ( 2.326 -0.350 3.355) 4.097 1.602 ( 3.569 0.915 9.825) 10.493 1.639 ( 1.755 1.341 3.535) 4.168 1.725 ( -0.286 -2.168 12.222) 12.416 1.857 ( -11.833 2.655 18.015) 21.716 1.879 ( -9.065 0.354 12.005) 15.047 1.982 ( -6.837 -1.574 18.051) 19.366 2.194 ( -3.093 3.074 0.940) 4.460 2.241 ( 3.697 7.752 -0.892) 8.635 2.322 ( 2.752 7.841 4.806) 9.600 2.427 ( -4.031 -3.326 -4.843) 7.125 2.692 ( 5.551 -7.649 0.397) 9.460 2.844 ( 0.717 0.580 -0.993) 1.355 2.948 ( 2.320 -1.687 -1.749) 3.359 3.688 ( -0.191 2.275 -2.853) 3.655 3.744 ( 2.736 0.654 -5.858) 6.499 3.778 ( 3.530 -0.645 -6.403) 7.340 3.791 ( -1.257 -1.640 -3.933) 4.442 5.110 ( 2.633 0.400 -10.641) 10.970 5.143 ( 2.629 -0.797 -9.772) 10.151 6.644 ( 0.021 0.522 -0.727) 0.895 6.660 ( 0.792 -0.062 -1.147) 1.395 6.930 ( -1.099 0.584 2.954) 3.205 6.974 ( -0.864 -1.047 3.466) 3.722 7.166 ( -2.775 0.321 11.301) 11.641 7.196 ( -2.499 -0.800 11.096) 11.402 7.265 ( 1.351 0.591 -3.757) 4.036 7.284 ( 1.417 -0.190 -4.985) 5.186 7.682 ( -1.509 0.343 7.090) 7.257 7.691 ( -1.489 0.036 7.241) 7.392 9.496 ( 0.436 0.250 -1.314) 1.407 9.516 ( 0.696 -0.474 -1.097) 1.383 9.893 ( 0.029 0.497 -0.497) 0.704 9.911 ( 0.026 -0.186 -0.417) 0.457 11.373 ( 0.399 0.585 -0.418) 0.822 11.408 ( 0.476 -0.695 -0.620) 1.046 11.800 ( 1.010 0.164 -4.757) 4.866 11.807 ( 1.047 -0.103 -4.639) 4.757 14.383 ( -0.252 0.134 1.095) 1.132 14.391 ( -0.233 -0.170 1.095) 1.132 14.722 ( 0.354 0.198 -1.082) 1.155 14.732 ( 0.299 -0.177 -1.067) 1.122 18.299 ( -0.570 0.473 1.068) 1.300 18.322 ( -1.601 -0.374 1.742) 2.395 18.695 ( -0.473 0.819 0.111) 0.952 18.752 ( 1.142 -1.372 2.069) 2.733 19.513 ( -2.082 1.133 13.889) 14.090 19.599 ( -0.428 -2.275 18.121) 18.269 20.463 ( 0.491 2.307 3.786) 4.460 20.556 ( 1.086 -1.255 3.678) 4.035 22.226 ( 0.020 1.418 -0.655) 1.562 22.321 ( -1.396 -2.233 -1.622) 3.093 22.516 ( -0.031 1.949 -2.746) 3.367 22.608 ( -0.596 -1.596 -3.211) 3.635 ======================= Grid point 47 (25/96) ======================= q-point: (-0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -13.373 2.646 2.127) 13.797 1.004 ( -12.686 6.793 8.011) 16.470 1.163 ( -2.462 -8.160 1.895) 8.732 1.230 ( -6.834 -1.480 4.289) 8.203 1.380 ( -1.545 0.711 -0.845) 1.899 1.450 ( -5.786 0.459 2.937) 6.505 1.491 ( -7.998 5.524 5.136) 10.993 1.560 ( -0.218 4.736 2.512) 5.365 1.686 ( 0.626 -0.085 4.961) 5.001 1.771 ( 3.022 -0.036 10.579) 11.002 1.810 ( -0.440 -4.908 17.829) 18.498 1.898 ( -4.870 -2.909 19.025) 19.852 2.038 ( 2.701 -3.889 14.130) 14.902 2.087 ( -7.419 -6.716 6.963) 12.191 2.199 ( -4.402 6.434 2.097) 8.073 2.368 ( 0.641 0.479 -5.235) 5.296 2.476 ( 6.090 7.166 0.270) 9.408 2.741 ( -1.113 -6.258 1.578) 6.549 2.812 ( -1.226 3.725 -1.554) 4.218 3.053 ( 7.696 -1.682 -5.554) 9.639 3.668 ( -0.018 1.416 -2.894) 3.222 3.739 ( -1.325 -1.242 -4.652) 4.994 3.771 ( 2.922 1.012 -6.033) 6.779 3.820 ( 3.733 -0.814 -5.963) 7.082 5.107 ( 2.804 0.439 -10.326) 10.709 5.140 ( 2.364 -0.845 -9.542) 9.866 6.640 ( 0.044 0.865 -0.611) 1.060 6.671 ( 0.855 -0.195 -1.124) 1.426 6.921 ( -1.383 0.720 3.030) 3.407 6.973 ( -0.988 -1.220 3.264) 3.622 7.168 ( -3.091 0.359 11.073) 11.502 7.203 ( -3.007 -0.970 11.365) 11.796 7.273 ( 1.345 0.453 -3.478) 3.757 7.288 ( 1.656 -0.158 -4.912) 5.186 7.692 ( -1.257 0.627 6.862) 7.004 7.706 ( -1.052 0.026 7.038) 7.116 9.500 ( 0.669 0.379 -1.284) 1.497 9.524 ( 0.709 -0.508 -1.113) 1.414 9.890 ( 0.022 0.459 -0.562) 0.726 9.909 ( -0.016 -0.185 -0.511) 0.544 11.380 ( 0.384 0.543 -0.214) 0.699 11.413 ( 0.313 -0.680 -0.527) 0.915 11.793 ( 0.968 0.242 -4.806) 4.909 11.804 ( 1.211 -0.154 -4.747) 4.901 14.384 ( -0.242 0.143 1.107) 1.142 14.394 ( -0.164 -0.217 1.100) 1.133 14.724 ( 0.399 0.186 -1.089) 1.175 14.733 ( 0.382 -0.158 -1.090) 1.165 18.285 ( -1.658 0.243 1.637) 2.343 18.296 ( -1.447 -0.162 1.179) 1.873 18.696 ( 0.205 1.320 1.399) 1.935 18.811 ( 2.773 -3.334 4.627) 6.341 19.526 ( -4.155 1.513 13.550) 14.253 19.690 ( -1.676 -6.395 22.162) 23.127 20.511 ( 2.341 3.698 3.929) 5.881 20.612 ( 2.108 -0.982 3.637) 4.317 22.224 ( 0.053 0.711 -0.333) 0.787 22.278 ( -1.799 -1.346 -2.438) 3.315 22.501 ( 0.133 1.436 -2.650) 3.017 22.576 ( -0.636 -1.334 -3.404) 3.711 ======================= Grid point 48 (26/96) ======================= q-point: (-0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -10.111 11.546 5.185) 16.199 0.783 ( -11.833 14.849 5.107) 19.662 1.052 ( -11.367 3.143 10.965) 16.103 1.124 ( -4.806 -2.529 6.159) 8.211 1.236 ( -7.948 -3.040 10.046) 13.166 1.421 ( 1.290 0.323 -0.885) 1.598 1.469 ( 1.292 -0.956 0.087) 1.609 1.590 ( -0.130 5.362 2.199) 5.797 1.713 ( -0.326 -2.421 2.934) 3.818 1.860 ( -2.910 -2.944 20.500) 20.914 1.877 ( 0.487 -2.913 8.304) 8.813 1.921 ( -0.055 -6.152 5.561) 8.294 2.029 ( -5.740 -5.676 23.333) 24.690 2.117 ( -4.899 6.145 4.104) 8.865 2.183 ( 4.337 -5.102 7.256) 9.874 2.339 ( -2.100 -1.821 -2.256) 3.580 2.549 ( 1.614 2.799 1.450) 3.541 2.689 ( -3.812 -4.362 2.411) 6.275 2.834 ( 4.413 10.723 -5.173) 12.698 3.109 ( 1.126 0.657 -11.415) 11.489 3.665 ( 0.703 0.102 -1.512) 1.671 3.702 ( 0.645 -0.916 -3.862) 4.021 3.792 ( 2.555 1.611 -6.524) 7.189 3.854 ( 2.813 -0.779 -6.449) 7.079 5.112 ( 3.115 0.244 -10.024) 10.500 5.135 ( 2.335 -0.906 -9.356) 9.686 6.639 ( 0.118 1.175 -0.498) 1.281 6.680 ( 0.604 -0.301 -1.158) 1.340 6.911 ( -1.203 0.783 3.228) 3.532 6.970 ( -0.990 -1.396 2.972) 3.430 7.163 ( -3.323 0.540 11.079) 11.580 7.197 ( -3.485 -0.805 11.032) 11.597 7.279 ( 1.150 0.460 -3.665) 3.869 7.297 ( 1.798 -0.205 -5.015) 5.332 7.703 ( -1.469 0.745 6.432) 6.640 7.720 ( -1.471 -0.083 6.858) 7.014 9.507 ( 0.617 0.394 -1.441) 1.616 9.529 ( 0.431 -0.439 -1.370) 1.502 9.888 ( 0.047 0.362 -0.450) 0.580 9.906 ( 0.010 -0.261 -0.524) 0.585 11.385 ( 0.175 0.455 -0.255) 0.550 11.415 ( 0.114 -0.607 -0.536) 0.818 11.789 ( 1.232 0.372 -4.746) 4.917 11.805 ( 1.421 -0.206 -4.741) 4.954 14.385 ( -0.263 0.156 1.116) 1.157 14.396 ( -0.261 -0.271 1.103) 1.166 14.726 ( 0.371 0.190 -1.109) 1.185 14.735 ( 0.396 -0.155 -1.099) 1.179 18.257 ( -1.731 0.508 1.884) 2.608 18.282 ( -0.683 -0.418 1.368) 1.585 18.714 ( 0.185 1.559 2.780) 3.193 18.893 ( 1.749 -6.710 4.895) 8.488 19.497 ( -5.552 1.403 12.315) 13.582 19.743 ( -7.175 -15.384 23.203) 28.749 20.598 ( 3.739 4.188 1.174) 5.736 20.665 ( 1.083 -0.464 2.461) 2.729 22.231 ( 0.720 0.037 1.576) 1.734 22.234 ( -0.986 -0.074 -0.323) 1.040 22.495 ( 0.605 1.097 -2.036) 2.390 22.554 ( 0.271 -1.058 -2.623) 2.841 ======================= Grid point 49 (27/96) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -1.430 -14.378 4.495) 15.132 0.798 ( -1.430 14.378 4.495) 15.132 0.994 ( -2.796 -7.768 11.267) 13.968 0.994 ( -2.796 7.768 11.267) 13.968 1.375 ( 0.981 -14.374 4.216) 15.012 1.375 ( 0.981 14.374 4.216) 15.012 1.520 ( -0.574 -7.446 0.143) 7.469 1.520 ( -0.574 7.446 0.143) 7.469 1.682 ( -1.781 -4.110 3.480) 5.672 1.682 ( -1.781 4.110 3.480) 5.672 1.933 ( -1.930 -1.730 22.529) 22.678 1.933 ( -1.930 1.730 22.529) 22.678 2.091 ( -3.558 -4.770 5.560) 8.144 2.091 ( -3.558 4.770 5.560) 8.144 2.225 ( -0.145 -5.663 7.384) 9.307 2.225 ( -0.145 5.663 7.384) 9.307 2.606 ( -1.263 -1.021 1.730) 2.373 2.606 ( -1.263 1.021 1.730) 2.373 3.034 ( 0.715 -2.395 -10.816) 11.101 3.034 ( 0.715 2.395 -10.816) 11.101 3.692 ( 1.881 -1.654 -1.759) 3.061 3.692 ( 1.881 1.654 -1.759) 3.061 3.834 ( 1.325 -1.481 -7.059) 7.334 3.834 ( 1.325 1.481 -7.059) 7.334 5.120 ( 2.671 -0.244 -9.926) 10.282 5.120 ( 2.671 0.244 -9.926) 10.282 6.663 ( -0.071 -1.077 -0.646) 1.257 6.663 ( -0.071 1.077 -0.646) 1.257 6.935 ( -0.839 -1.485 3.083) 3.523 6.935 ( -0.839 1.485 3.083) 3.523 7.174 ( -3.198 -0.806 10.905) 11.393 7.174 ( -3.198 0.806 10.905) 11.393 7.294 ( 1.402 -0.637 -4.648) 4.896 7.294 ( 1.402 0.637 -4.648) 4.896 7.712 ( -2.250 -0.527 6.720) 7.106 7.712 ( -2.250 0.527 6.720) 7.106 9.517 ( 0.197 -0.544 -1.623) 1.724 9.517 ( 0.197 0.544 -1.623) 1.724 9.898 ( 0.284 -0.458 -0.333) 0.634 9.898 ( 0.284 0.458 -0.333) 0.634 11.397 ( -0.046 -0.796 -0.590) 0.992 11.397 ( -0.046 0.796 -0.590) 0.992 11.801 ( 1.431 -0.476 -4.593) 4.835 11.801 ( 1.431 0.476 -4.593) 4.835 14.390 ( -0.319 -0.239 1.139) 1.207 14.390 ( -0.319 0.239 1.139) 1.207 14.732 ( 0.306 -0.274 -1.106) 1.180 14.732 ( 0.306 0.274 -1.106) 1.180 18.264 ( -0.292 -1.087 1.916) 2.222 18.264 ( -0.292 1.087 1.916) 2.222 18.773 ( -2.340 -3.368 5.259) 6.669 18.773 ( -2.340 3.368 5.259) 6.669 19.483 ( -7.053 -2.655 13.186) 15.188 19.483 ( -7.053 2.655 13.186) 15.188 20.653 ( -1.890 -1.643 -0.501) 2.554 20.653 ( -1.890 1.643 -0.501) 2.554 22.254 ( 1.302 -1.680 2.146) 3.020 22.254 ( 1.302 1.680 2.146) 3.020 22.533 ( 1.300 -1.460 -1.174) 2.280 22.533 ( 1.300 1.460 -1.174) 2.280 ======================= Grid point 51 (28/96) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.766 -13.550 6.076) 15.106 0.848 ( 2.766 13.550 6.076) 15.106 1.035 ( -0.050 -6.162 13.993) 15.290 1.035 ( -0.050 6.162 13.993) 15.290 1.463 ( 3.106 -4.139 0.982) 5.267 1.463 ( 3.106 4.139 0.982) 5.267 1.532 ( 2.647 -9.211 1.777) 9.747 1.532 ( 2.647 9.211 1.777) 9.747 1.673 ( 0.244 -7.443 4.511) 8.706 1.673 ( 0.244 7.443 4.511) 8.706 1.960 ( -6.786 -6.662 10.757) 14.357 1.960 ( -6.786 6.662 10.757) 14.357 2.011 ( -8.453 -3.651 18.952) 21.070 2.011 ( -8.453 3.651 18.952) 21.070 2.307 ( 4.063 -7.022 2.164) 8.396 2.307 ( 4.063 7.022 2.164) 8.396 2.597 ( -0.041 -0.642 1.946) 2.049 2.597 ( -0.041 0.642 1.946) 2.049 2.964 ( -1.909 -3.624 -9.047) 9.931 2.964 ( -1.909 3.624 -9.047) 9.931 3.724 ( 1.988 -2.374 -2.017) 3.696 3.724 ( 1.988 2.374 -2.017) 3.696 3.808 ( 0.143 -1.147 -6.837) 6.934 3.808 ( 0.143 1.147 -6.837) 6.934 5.120 ( 2.803 -0.152 -10.016) 10.402 5.120 ( 2.803 0.152 -10.016) 10.402 6.657 ( -0.080 -0.913 -0.742) 1.179 6.657 ( -0.080 0.913 -0.742) 1.179 6.936 ( -0.711 -1.191 3.251) 3.534 6.936 ( -0.711 1.191 3.251) 3.534 7.169 ( -3.111 -0.553 10.582) 11.043 7.169 ( -3.111 0.553 10.582) 11.043 7.293 ( 1.009 -0.756 -4.738) 4.903 7.293 ( 1.009 0.756 -4.738) 4.903 7.702 ( -2.438 -0.678 6.941) 7.388 7.702 ( -2.438 0.678 6.941) 7.388 9.510 ( 0.089 -0.477 -1.536) 1.611 9.510 ( 0.089 0.477 -1.536) 1.611 9.903 ( 0.352 -0.495 -0.368) 0.710 9.903 ( 0.352 0.495 -0.368) 0.710 11.391 ( -0.097 -0.895 -0.780) 1.191 11.391 ( -0.097 0.895 -0.780) 1.191 11.804 ( 1.371 -0.417 -4.450) 4.675 11.804 ( 1.371 0.417 -4.450) 4.675 14.390 ( -0.360 -0.241 1.121) 1.202 14.390 ( -0.360 0.241 1.121) 1.202 14.731 ( 0.222 -0.295 -1.090) 1.151 14.731 ( 0.222 0.295 -1.090) 1.151 18.278 ( 0.499 -1.308 2.049) 2.481 18.278 ( 0.499 1.308 2.049) 2.481 18.749 ( -2.157 -1.166 3.889) 4.597 18.749 ( -2.157 1.166 3.889) 4.597 19.436 ( -4.043 -0.746 11.249) 11.976 19.436 ( -4.043 0.746 11.249) 11.976 20.588 ( -3.687 -2.623 0.046) 4.525 20.588 ( -3.687 2.623 0.046) 4.525 22.288 ( 0.702 -3.241 1.366) 3.587 22.288 ( 0.702 3.241 1.366) 3.587 22.559 ( 1.484 -1.710 -0.620) 2.348 22.559 ( 1.484 1.710 -0.620) 2.348 ======================= Grid point 53 (29/96) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 3.966 -8.568 5.998) 11.185 0.952 ( 3.966 8.568 5.998) 11.185 1.145 ( 2.786 -4.510 14.807) 15.727 1.145 ( 2.786 4.510 14.807) 15.727 1.459 ( -2.408 -2.134 -0.836) 3.324 1.459 ( -2.408 2.134 -0.836) 3.324 1.559 ( -0.815 -2.686 1.522) 3.193 1.559 ( -0.815 2.686 1.522) 3.193 1.753 ( -5.307 -9.003 4.363) 11.325 1.753 ( -5.307 9.003 4.363) 11.325 1.887 ( 2.224 -8.195 8.894) 12.297 1.887 ( 2.224 8.195 8.894) 12.297 1.981 ( -3.695 -2.263 21.207) 21.645 1.981 ( -3.695 2.263 21.207) 21.645 2.362 ( 0.971 -5.738 -1.015) 5.907 2.362 ( 0.971 5.738 -1.015) 5.907 2.607 ( -1.880 -3.084 1.112) 3.779 2.607 ( -1.880 3.084 1.112) 3.779 2.879 ( -1.670 -4.409 -4.485) 6.507 2.879 ( -1.670 4.409 -4.485) 6.507 3.739 ( 1.403 -1.904 -5.479) 5.968 3.739 ( 1.403 1.904 -5.479) 5.968 3.783 ( 0.478 -1.870 -3.598) 4.083 3.783 ( 0.478 1.870 -3.598) 4.083 5.123 ( 2.913 -0.375 -10.123) 10.540 5.123 ( 2.913 0.375 -10.123) 10.540 6.653 ( 0.126 -0.610 -0.880) 1.078 6.653 ( 0.126 0.610 -0.880) 1.078 6.941 ( -0.601 -0.968 3.381) 3.568 6.941 ( -0.601 0.968 3.381) 3.568 7.166 ( -2.811 -0.392 10.461) 10.839 7.166 ( -2.811 0.392 10.461) 10.839 7.285 ( 0.800 -0.747 -4.667) 4.794 7.285 ( 0.800 0.747 -4.667) 4.794 7.691 ( -2.412 -0.619 7.119) 7.542 7.691 ( -2.412 0.619 7.119) 7.542 9.504 ( 0.145 -0.377 -1.397) 1.455 9.504 ( 0.145 0.377 -1.397) 1.455 9.906 ( 0.158 -0.461 -0.409) 0.636 9.906 ( 0.158 0.461 -0.409) 0.636 11.386 ( 0.067 -0.927 -0.844) 1.256 11.386 ( 0.067 0.927 -0.844) 1.256 11.807 ( 1.302 -0.289 -4.426) 4.622 11.807 ( 1.302 0.289 -4.426) 4.622 14.388 ( -0.374 -0.243 1.095) 1.183 14.388 ( -0.374 0.243 1.095) 1.183 14.729 ( 0.192 -0.305 -1.072) 1.131 14.729 ( 0.192 0.305 -1.072) 1.131 18.301 ( 0.555 -1.267 1.927) 2.372 18.301 ( 0.555 1.267 1.927) 2.372 18.733 ( -1.051 -0.094 1.720) 2.018 18.733 ( -1.051 0.094 1.720) 2.018 19.442 ( -1.665 -0.773 11.678) 11.821 19.442 ( -1.665 0.773 11.678) 11.821 20.524 ( -2.814 -2.544 1.547) 4.097 20.524 ( -2.814 2.544 1.547) 4.097 22.296 ( -0.251 -3.450 0.257) 3.469 22.296 ( -0.251 3.450 0.257) 3.469 22.579 ( 0.937 -2.216 -1.122) 2.654 22.579 ( 0.937 2.216 -1.122) 2.654 ======================= Grid point 55 (30/96) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.759 -1.789 5.761) 6.284 1.054 ( 1.759 1.789 5.761) 6.284 1.276 ( 2.218 -2.677 9.208) 9.842 1.276 ( 2.218 2.677 9.208) 9.842 1.391 ( -2.238 -0.545 -0.005) 2.304 1.391 ( -2.238 0.545 -0.005) 2.304 1.545 ( -4.420 -1.350 6.185) 7.721 1.545 ( -4.420 1.350 6.185) 7.721 1.630 ( -3.523 -3.816 5.336) 7.446 1.630 ( -3.523 3.816 5.336) 7.446 1.887 ( -8.180 -2.108 22.831) 24.343 1.887 ( -8.180 2.108 22.831) 24.343 2.199 ( 11.333 -8.623 2.775) 14.508 2.199 ( 11.333 8.623 2.775) 14.508 2.344 ( -1.988 -5.725 -1.760) 6.310 2.344 ( -1.988 5.725 -1.760) 6.310 2.494 ( -7.368 -7.092 0.229) 10.229 2.494 ( -7.368 7.092 0.229) 10.229 2.868 ( 1.066 -2.923 -0.955) 3.255 2.868 ( 1.066 2.923 -0.955) 3.255 3.737 ( 2.193 -1.198 -6.691) 7.143 3.737 ( 2.193 1.198 -6.691) 7.143 3.774 ( -0.087 -2.616 -2.540) 3.647 3.774 ( -0.087 2.616 -2.540) 3.647 5.125 ( 2.805 -0.659 -10.216) 10.615 5.125 ( 2.805 0.659 -10.216) 10.615 6.652 ( 0.307 -0.283 -0.948) 1.036 6.652 ( 0.307 0.283 -0.948) 1.036 6.947 ( -0.660 -0.973 3.288) 3.491 6.947 ( -0.660 0.973 3.288) 3.491 7.170 ( -2.593 -0.618 10.751) 11.076 7.170 ( -2.593 0.618 10.751) 11.076 7.277 ( 1.023 -0.632 -4.531) 4.688 7.277 ( 1.023 0.632 -4.531) 4.688 7.684 ( -2.047 -0.393 7.230) 7.524 7.684 ( -2.047 0.393 7.230) 7.524 9.502 ( 0.330 -0.373 -1.284) 1.377 9.502 ( 0.330 0.373 -1.284) 1.377 9.906 ( 0.058 -0.462 -0.426) 0.631 9.906 ( 0.058 0.462 -0.426) 0.631 11.386 ( 0.306 -0.895 -0.734) 1.198 11.386 ( 0.306 0.895 -0.734) 1.198 11.807 ( 1.158 -0.206 -4.534) 4.684 11.807 ( 1.158 0.206 -4.534) 4.684 14.387 ( -0.326 -0.223 1.086) 1.156 14.387 ( -0.326 0.223 1.086) 1.156 14.728 ( 0.238 -0.292 -1.066) 1.131 14.728 ( 0.238 0.292 -1.066) 1.131 18.316 ( -0.161 -1.010 1.637) 1.930 18.316 ( -0.161 1.010 1.637) 1.930 18.722 ( -0.568 -0.624 0.445) 0.954 18.722 ( -0.568 0.624 0.445) 0.954 19.489 ( -0.776 -1.241 13.716) 13.794 19.489 ( -0.776 1.241 13.716) 13.794 20.497 ( -0.981 -2.307 2.850) 3.795 20.497 ( -0.981 2.307 2.850) 3.795 22.286 ( -0.569 -3.113 -0.509) 3.205 22.286 ( -0.569 3.113 -0.509) 3.205 22.582 ( 0.160 -2.518 -2.151) 3.315 22.582 ( 0.160 2.518 -2.151) 3.315 ======================= Grid point 57 (31/96) ======================= q-point: (-0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -4.908 -4.316 3.208) 7.281 1.040 ( -4.908 4.316 3.208) 7.281 1.278 ( -6.249 -4.446 5.053) 9.184 1.278 ( -6.249 4.446 5.053) 9.184 1.386 ( 0.847 -1.660 0.242) 1.879 1.386 ( 0.847 1.660 0.242) 1.879 1.538 ( 1.075 -5.574 12.135) 13.397 1.538 ( 1.075 5.574 12.135) 13.397 1.680 ( 3.551 -2.528 3.789) 5.776 1.680 ( 3.551 2.528 3.789) 5.776 1.855 ( -6.817 -1.076 20.897) 22.008 1.855 ( -6.817 1.076 20.897) 22.008 2.129 ( -13.942 -8.393 4.265) 16.823 2.129 ( -13.942 8.393 4.265) 16.823 2.367 ( -0.359 -3.182 -2.524) 4.077 2.367 ( -0.359 3.182 -2.524) 4.077 2.505 ( 7.779 -9.242 1.370) 12.158 2.505 ( 7.779 9.242 1.370) 12.158 2.887 ( 1.611 -3.207 -1.003) 3.727 2.887 ( 1.611 3.207 -1.003) 3.727 3.744 ( -0.557 -2.636 -3.387) 4.328 3.744 ( -0.557 2.636 -3.387) 4.328 3.761 ( 2.907 -0.887 -6.173) 6.881 3.761 ( 2.907 0.887 -6.173) 6.881 5.124 ( 2.626 -0.854 -10.173) 10.541 5.124 ( 2.626 0.854 -10.173) 10.541 6.655 ( 0.448 -0.450 -0.927) 1.123 6.655 ( 0.448 0.450 -0.927) 1.123 6.949 ( -0.969 -1.118 3.161) 3.490 6.949 ( -0.969 1.118 3.161) 3.490 7.178 ( -2.644 -0.780 11.010) 11.350 7.178 ( -2.644 0.780 11.010) 11.350 7.277 ( 1.307 -0.488 -4.201) 4.426 7.277 ( 1.307 0.488 -4.201) 4.426 7.689 ( -1.422 -0.225 7.181) 7.324 7.689 ( -1.422 0.225 7.181) 7.324 9.504 ( 0.586 -0.514 -1.174) 1.409 9.504 ( 0.586 0.514 -1.174) 1.409 9.904 ( 0.040 -0.485 -0.503) 0.700 9.904 ( 0.040 0.485 -0.503) 0.700 11.390 ( 0.431 -0.907 -0.532) 1.136 11.390 ( 0.431 0.907 -0.532) 1.136 11.804 ( 1.028 -0.195 -4.679) 4.795 11.804 ( 1.028 0.195 -4.679) 4.795 14.387 ( -0.249 -0.212 1.092) 1.140 14.387 ( -0.249 0.212 1.092) 1.140 14.727 ( 0.328 -0.267 -1.074) 1.154 14.727 ( 0.328 0.267 -1.074) 1.154 18.311 ( -1.092 -0.600 1.400) 1.874 18.311 ( -1.092 0.600 1.400) 1.874 18.720 ( 0.094 -1.468 1.054) 1.810 18.720 ( 0.094 1.468 1.054) 1.810 19.549 ( -1.664 -2.186 15.594) 15.834 19.549 ( -1.664 2.186 15.594) 15.834 20.517 ( 1.079 -2.407 3.708) 4.551 20.517 ( 1.079 2.407 3.708) 4.551 22.269 ( -0.671 -2.440 -1.042) 2.737 22.269 ( -0.671 2.440 -1.042) 2.737 22.564 ( -0.391 -2.392 -2.976) 3.838 22.564 ( -0.391 2.392 -2.976) 3.838 ======================= Grid point 59 (32/96) ======================= q-point: (-0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -5.353 -10.436 2.104) 11.916 0.944 ( -5.353 10.436 2.104) 11.916 1.145 ( -9.020 -6.083 8.240) 13.648 1.145 ( -9.020 6.083 8.240) 13.648 1.404 ( 0.676 -2.343 -1.712) 2.980 1.404 ( 0.676 2.343 -1.712) 2.980 1.635 ( 0.702 -4.281 8.019) 9.117 1.635 ( 0.702 4.281 8.019) 9.117 1.734 ( -5.984 -4.340 4.456) 8.632 1.734 ( -5.984 4.340 4.456) 8.632 1.802 ( -2.612 -7.217 6.792) 10.249 1.802 ( -2.612 7.217 6.792) 10.249 1.973 ( -4.748 -1.911 22.423) 22.999 1.973 ( -4.748 1.911 22.423) 22.999 2.324 ( -2.210 -4.590 -2.716) 5.773 2.324 ( -2.210 4.590 -2.716) 5.773 2.611 ( 1.067 -5.735 2.355) 6.291 2.611 ( 1.067 5.735 2.355) 6.291 2.949 ( 5.857 -7.134 -3.839) 9.997 2.949 ( 5.857 7.134 -3.839) 9.997 3.705 ( -0.863 -1.849 -3.870) 4.375 3.705 ( -0.863 1.849 -3.870) 4.375 3.797 ( 3.484 -1.289 -6.056) 7.105 3.797 ( 3.484 1.289 -6.056) 7.105 5.121 ( 2.586 -0.843 -9.973) 10.337 5.121 ( 2.586 0.843 -9.973) 10.337 6.660 ( 0.502 -0.831 -0.822) 1.272 6.660 ( 0.502 0.831 -0.822) 1.272 6.944 ( -1.201 -1.355 3.121) 3.608 6.944 ( -1.201 1.355 3.121) 3.608 7.182 ( -2.975 -0.871 11.047) 11.473 7.182 ( -2.975 0.871 11.047) 11.473 7.283 ( 1.411 -0.391 -3.998) 4.258 7.283 ( 1.411 0.391 -3.998) 4.258 7.703 ( -1.100 -0.330 6.940) 7.035 7.703 ( -1.100 0.330 6.940) 7.035 9.511 ( 0.717 -0.639 -1.169) 1.513 9.511 ( 0.717 0.639 -1.169) 1.513 9.901 ( -0.022 -0.493 -0.594) 0.772 9.901 ( -0.022 0.493 -0.594) 0.772 11.396 ( 0.351 -0.878 -0.391) 1.023 11.396 ( 0.351 0.878 -0.391) 1.023 11.799 ( 1.097 -0.293 -4.753) 4.887 11.799 ( 1.097 0.293 -4.753) 4.887 14.389 ( -0.218 -0.237 1.105) 1.151 14.389 ( -0.218 0.237 1.105) 1.151 14.729 ( 0.393 -0.248 -1.091) 1.186 14.729 ( 0.393 0.248 -1.091) 1.186 18.291 ( -1.554 -0.284 1.403) 2.112 18.291 ( -1.554 0.284 1.403) 2.112 18.740 ( 0.741 -2.837 3.069) 4.245 18.740 ( 0.741 2.837 3.069) 4.245 19.580 ( -4.186 -3.743 16.402) 17.336 19.580 ( -4.186 3.743 16.402) 17.336 20.577 ( 2.724 -2.355 3.646) 5.124 20.577 ( 2.724 2.355 3.646) 5.124 22.247 ( -0.847 -1.376 -1.004) 1.902 22.247 ( -0.847 1.376 -1.004) 1.902 22.539 ( -0.303 -1.953 -3.048) 3.633 22.539 ( -0.303 1.953 -3.048) 3.633 ======================= Grid point 61 (33/96) ======================= q-point: (-0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -4.973 -13.961 2.684) 15.061 0.853 ( -4.973 13.961 2.684) 15.061 1.032 ( -6.509 -8.537 9.225) 14.154 1.032 ( -6.509 8.537 9.225) 14.154 1.386 ( -1.879 -6.173 -0.113) 6.454 1.386 ( -1.879 6.173 -0.113) 6.454 1.555 ( -4.922 -12.372 1.955) 13.458 1.555 ( -4.922 12.372 1.955) 13.458 1.692 ( -1.054 -4.605 3.892) 6.121 1.692 ( -1.054 4.605 3.892) 6.121 1.855 ( -2.429 -1.495 21.128) 21.320 1.855 ( -2.429 1.495 21.128) 21.320 2.057 ( 1.270 -5.084 11.625) 12.752 2.057 ( 1.270 5.084 11.625) 12.752 2.254 ( -3.990 -5.495 1.749) 7.012 2.254 ( -3.990 5.495 1.749) 7.012 2.616 ( -1.062 -3.201 2.865) 4.425 2.616 ( -1.062 3.201 2.865) 4.425 3.035 ( 4.698 -7.115 -8.228) 11.849 3.035 ( 4.698 7.115 -8.228) 11.849 3.679 ( 0.468 -1.085 -3.037) 3.259 3.679 ( 0.468 1.085 -3.037) 3.259 3.828 ( 2.857 -1.589 -6.430) 7.213 3.828 ( 2.857 1.589 -6.430) 7.213 5.120 ( 2.667 -0.539 -9.840) 10.209 5.120 ( 2.667 0.539 -9.840) 10.209 6.665 ( 0.302 -1.103 -0.689) 1.335 6.665 ( 0.302 1.103 -0.689) 1.335 6.937 ( -1.090 -1.537 3.086) 3.615 6.937 ( -1.090 1.537 3.086) 3.615 7.179 ( -3.235 -0.867 11.027) 11.525 7.179 ( -3.235 0.867 11.027) 11.525 7.289 ( 1.467 -0.457 -4.242) 4.512 7.289 ( 1.467 0.457 -4.242) 4.512 7.715 ( -1.574 -0.384 6.666) 6.860 7.715 ( -1.574 0.384 6.666) 6.860 9.518 ( 0.538 -0.602 -1.409) 1.624 9.518 ( 0.538 0.602 -1.409) 1.624 9.897 ( -0.017 -0.467 -0.509) 0.691 9.897 ( -0.017 0.467 -0.509) 0.691 11.399 ( 0.151 -0.790 -0.414) 0.905 11.399 ( 0.151 0.790 -0.414) 0.905 11.798 ( 1.338 -0.421 -4.714) 4.918 11.798 ( 1.338 0.421 -4.714) 4.918 14.390 ( -0.261 -0.255 1.124) 1.182 14.390 ( -0.261 0.255 1.124) 1.182 14.731 ( 0.384 -0.253 -1.106) 1.197 14.731 ( 0.384 0.253 -1.106) 1.197 18.270 ( -1.204 -0.652 1.634) 2.132 18.270 ( -1.204 0.652 1.634) 2.132 18.772 ( -0.230 -4.148 4.866) 6.398 18.772 ( -0.230 4.148 4.866) 6.398 19.553 ( -7.054 -4.535 15.604) 17.715 19.553 ( -7.054 4.535 15.604) 17.715 20.648 ( 2.033 -1.253 1.737) 2.953 20.648 ( 2.033 1.253 1.737) 2.953 22.232 ( -0.151 -0.081 0.574) 0.599 22.232 ( -0.151 0.081 0.574) 0.599 22.525 ( 0.443 -1.541 -2.287) 2.793 22.525 ( 0.443 1.541 -2.287) 2.793 ======================= Grid point 70 (34/96) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 1.059 0.000 18.783) 18.813 0.669 ( 0.474 0.000 14.292) 14.300 1.250 ( -0.074 0.000 6.356) 6.356 1.256 ( 2.898 0.000 5.803) 6.486 1.423 ( 0.116 0.000 0.728) 0.738 1.449 ( -1.794 0.000 1.187) 2.151 1.514 ( -2.999 0.000 9.264) 9.737 1.609 ( 2.262 0.000 1.709) 2.834 1.708 ( -1.951 0.000 -1.629) 2.542 1.809 ( -2.479 0.000 -3.427) 4.230 2.081 ( 3.829 0.000 -4.324) 5.776 2.091 ( -3.390 0.000 3.825) 5.111 2.145 ( 1.781 0.000 0.077) 1.782 2.475 ( 2.108 0.000 -0.880) 2.284 2.532 ( 3.279 0.000 8.568) 9.174 2.565 ( 0.467 0.000 4.331) 4.356 2.673 ( -5.884 0.000 -1.606) 6.099 2.730 ( 1.298 0.000 5.387) 5.541 2.815 ( -7.480 0.000 23.743) 24.894 2.844 ( -5.154 0.000 10.253) 11.476 3.610 ( 1.408 0.000 -8.096) 8.218 3.661 ( 0.190 0.000 -10.560) 10.561 3.719 ( -2.621 0.000 11.207) 11.510 3.810 ( -1.223 0.000 9.979) 10.054 4.878 ( 3.831 0.000 -12.295) 12.878 4.916 ( 2.031 0.000 -10.360) 10.557 6.559 ( 2.024 0.000 -7.165) 7.445 6.590 ( 2.280 0.000 -8.945) 9.231 6.986 ( -0.985 0.000 4.834) 4.933 7.050 ( -1.115 0.000 3.884) 4.041 7.212 ( 0.009 0.000 -1.419) 1.419 7.224 ( 0.491 0.000 -2.154) 2.209 7.436 ( -4.451 0.000 16.133) 16.736 7.473 ( -4.509 0.000 15.400) 16.046 7.835 ( -2.027 0.000 7.461) 7.731 7.875 ( -2.059 0.000 7.595) 7.869 9.470 ( 0.564 0.000 -1.757) 1.846 9.498 ( 0.177 0.000 -1.600) 1.609 9.863 ( 0.661 0.000 -2.187) 2.284 9.887 ( 0.876 0.000 -2.148) 2.319 11.361 ( -0.341 0.000 -0.916) 0.977 11.402 ( 0.062 0.000 -1.067) 1.069 11.664 ( 2.182 0.000 -7.149) 7.475 11.684 ( 2.398 0.000 -7.516) 7.889 14.416 ( -0.582 0.000 2.076) 2.156 14.430 ( -0.596 0.000 2.113) 2.196 14.691 ( 0.546 0.000 -2.121) 2.190 14.708 ( 0.607 0.000 -2.006) 2.096 18.292 ( -1.336 0.000 4.091) 4.303 18.348 ( 0.049 0.000 3.807) 3.807 18.749 ( 0.204 0.000 0.309) 0.371 18.912 ( -2.276 0.000 -4.594) 5.127 19.726 ( -5.844 0.000 16.713) 17.706 20.045 ( -16.717 0.000 9.876) 19.416 20.538 ( -1.674 0.000 3.229) 3.637 20.704 ( -2.387 0.000 1.348) 2.741 22.231 ( -0.259 0.000 0.032) 0.261 22.430 ( 3.601 0.000 2.174) 4.206 22.432 ( 1.285 0.000 -3.746) 3.960 22.540 ( 2.462 0.000 -1.434) 2.849 ======================= Grid point 71 (35/96) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.296 0.000 13.204) 15.085 0.864 ( 12.147 0.000 8.535) 14.846 1.302 ( 1.637 0.000 5.444) 5.685 1.335 ( 1.507 0.000 -0.962) 1.789 1.419 ( -2.397 0.000 3.456) 4.206 1.475 ( 4.224 0.000 5.401) 6.856 1.508 ( -1.761 0.000 10.447) 10.594 1.599 ( -3.024 0.000 -0.030) 3.024 1.691 ( -0.131 0.000 0.902) 0.911 1.755 ( -1.385 0.000 -3.552) 3.812 2.013 ( -5.225 0.000 0.826) 5.290 2.134 ( 4.199 0.000 -6.907) 8.084 2.171 ( -0.213 0.000 3.966) 3.972 2.468 ( -1.396 0.000 -2.921) 3.238 2.498 ( -9.416 0.000 0.346) 9.422 2.603 ( -0.470 0.000 5.314) 5.335 2.645 ( 3.635 0.000 5.376) 6.490 2.772 ( -5.890 0.000 13.170) 14.427 2.833 ( -6.786 0.000 26.287) 27.149 2.833 ( 4.672 0.000 3.613) 5.906 3.587 ( 0.589 0.000 -8.661) 8.681 3.607 ( 0.902 0.000 -10.356) 10.395 3.728 ( -2.516 0.000 10.545) 10.841 3.837 ( -0.788 0.000 7.795) 7.835 4.887 ( 3.485 0.000 -11.637) 12.147 4.902 ( 2.433 0.000 -10.547) 10.824 6.560 ( 2.074 0.000 -7.367) 7.654 6.584 ( 1.997 0.000 -8.687) 8.914 6.994 ( -0.837 0.000 4.839) 4.911 7.051 ( -0.928 0.000 4.259) 4.359 7.202 ( -0.218 0.000 -1.106) 1.128 7.221 ( 0.501 0.000 -2.563) 2.611 7.436 ( -4.232 0.000 15.885) 16.439 7.462 ( -4.865 0.000 15.072) 15.838 7.833 ( -2.352 0.000 7.787) 8.135 7.870 ( -2.503 0.000 7.629) 8.029 9.471 ( 0.431 0.000 -1.766) 1.818 9.491 ( 0.081 0.000 -1.613) 1.615 9.865 ( 0.748 0.000 -2.175) 2.300 9.893 ( 0.738 0.000 -2.016) 2.147 11.350 ( -0.212 0.000 -0.940) 0.964 11.395 ( -0.054 0.000 -1.158) 1.159 11.670 ( 2.321 0.000 -7.208) 7.573 11.690 ( 2.220 0.000 -7.376) 7.703 14.415 ( -0.659 0.000 2.041) 2.145 14.429 ( -0.655 0.000 2.125) 2.224 14.690 ( 0.491 0.000 -2.099) 2.156 14.708 ( 0.515 0.000 -2.004) 2.069 18.298 ( -0.406 0.000 4.102) 4.123 18.373 ( 0.243 0.000 3.941) 3.949 18.746 ( -0.400 0.000 -0.522) 0.657 18.822 ( -3.987 0.000 -2.240) 4.574 19.726 ( -3.516 0.000 18.007) 18.347 19.829 ( -11.109 0.000 17.835) 21.012 20.520 ( -1.798 0.000 3.247) 3.712 20.657 ( -2.698 0.000 1.425) 3.051 22.222 ( -0.536 0.000 -0.312) 0.620 22.437 ( 1.178 0.000 -3.796) 3.974 22.467 ( -0.441 0.000 0.780) 0.896 22.578 ( 1.958 0.000 -1.658) 2.566 ======================= Grid point 72 (36/96) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 9.013 0.000 9.040) 12.765 1.129 ( 10.080 0.000 -0.848) 10.116 1.332 ( 0.857 0.000 -2.429) 2.576 1.356 ( -0.592 0.000 5.059) 5.093 1.388 ( -1.035 0.000 2.696) 2.888 1.493 ( -0.313 0.000 -1.160) 1.202 1.561 ( -0.643 0.000 2.925) 2.995 1.649 ( 1.047 0.000 9.816) 9.872 1.661 ( -3.898 0.000 2.254) 4.503 1.740 ( 4.801 0.000 1.533) 5.040 1.889 ( -7.165 0.000 -1.168) 7.260 2.187 ( -1.005 0.000 7.127) 7.198 2.190 ( 5.184 0.000 -6.974) 8.690 2.318 ( -7.847 0.000 0.364) 7.856 2.394 ( -4.206 0.000 -2.912) 5.115 2.606 ( -2.052 0.000 8.137) 8.392 2.712 ( -8.064 0.000 16.079) 17.987 2.740 ( 3.143 0.000 3.864) 4.981 2.842 ( -6.774 0.000 25.157) 26.053 2.923 ( 2.739 0.000 0.083) 2.740 3.552 ( 1.756 0.000 -9.935) 10.089 3.594 ( 2.251 0.000 -7.058) 7.408 3.730 ( -2.940 0.000 10.219) 10.633 3.857 ( -1.447 0.000 6.391) 6.553 4.883 ( 2.435 0.000 -10.825) 11.095 4.906 ( 3.687 0.000 -11.455) 12.034 6.561 ( 2.257 0.000 -8.125) 8.433 6.577 ( 1.836 0.000 -7.982) 8.191 7.002 ( -0.990 0.000 4.713) 4.816 7.058 ( -0.879 0.000 4.448) 4.534 7.193 ( 0.033 0.000 -1.212) 1.213 7.217 ( 0.414 0.000 -2.087) 2.128 7.438 ( -4.258 0.000 15.437) 16.014 7.451 ( -4.110 0.000 15.210) 15.755 7.827 ( -2.369 0.000 7.983) 8.327 7.858 ( -2.760 0.000 7.608) 8.093 9.468 ( 0.259 0.000 -1.612) 1.633 9.485 ( 0.241 0.000 -1.611) 1.629 9.868 ( 0.657 0.000 -2.098) 2.198 9.894 ( 0.536 0.000 -2.034) 2.103 11.345 ( 0.205 0.000 -0.894) 0.917 11.389 ( 0.151 0.000 -1.179) 1.189 11.677 ( 2.209 0.000 -7.244) 7.573 11.692 ( 1.934 0.000 -7.399) 7.647 14.413 ( -0.628 0.000 2.018) 2.114 14.427 ( -0.687 0.000 2.098) 2.208 14.689 ( 0.492 0.000 -2.067) 2.125 14.707 ( 0.445 0.000 -2.000) 2.049 18.316 ( -0.138 0.000 3.806) 3.808 18.395 ( -0.319 0.000 3.758) 3.772 18.735 ( -0.063 0.000 -0.995) 0.997 18.746 ( -2.584 0.000 -1.086) 2.803 19.761 ( -4.169 0.000 19.117) 19.566 19.800 ( -1.961 0.000 20.018) 20.114 20.506 ( -1.363 0.000 3.702) 3.945 20.622 ( -1.639 0.000 2.816) 3.259 22.209 ( -0.498 0.000 -0.477) 0.690 22.437 ( 0.922 0.000 -3.982) 4.088 22.438 ( -2.368 0.000 0.105) 2.370 22.594 ( 0.770 0.000 -2.969) 3.067 ======================= Grid point 73 (37/96) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.535 0.000 -7.448) 7.467 1.224 ( 1.291 0.000 1.399) 1.904 1.322 ( -2.689 0.000 3.804) 4.659 1.338 ( -2.454 0.000 -2.317) 3.375 1.451 ( 3.028 0.000 3.867) 4.911 1.507 ( 4.025 0.000 -0.637) 4.075 1.583 ( -2.477 0.000 1.591) 2.944 1.595 ( -1.018 0.000 7.350) 7.420 1.662 ( 0.048 0.000 3.557) 3.557 1.733 ( -5.613 0.000 0.766) 5.665 1.924 ( 8.311 0.000 2.913) 8.807 2.179 ( -4.193 0.000 1.161) 4.351 2.195 ( -6.053 0.000 1.185) 6.168 2.229 ( -1.222 0.000 7.595) 7.692 2.317 ( 0.499 0.000 -4.468) 4.496 2.595 ( -2.563 0.000 -0.717) 2.661 2.681 ( -2.572 0.000 21.218) 21.373 2.810 ( 1.821 0.000 2.769) 3.314 2.829 ( -8.662 0.000 27.884) 29.198 2.938 ( -0.188 0.000 -3.236) 3.241 3.556 ( 3.579 0.000 -8.949) 9.638 3.616 ( 3.099 0.000 -5.327) 6.163 3.721 ( -3.576 0.000 10.558) 11.147 3.842 ( -3.397 0.000 6.079) 6.964 4.872 ( 2.517 0.000 -11.248) 11.526 4.918 ( 3.618 0.000 -11.391) 11.952 6.562 ( 2.362 0.000 -8.693) 9.008 6.572 ( 1.953 0.000 -7.552) 7.800 7.005 ( -1.280 0.000 4.561) 4.737 7.062 ( -1.048 0.000 4.280) 4.407 7.191 ( 0.491 0.000 -1.512) 1.590 7.217 ( 0.446 0.000 -1.223) 1.302 7.436 ( -4.069 0.000 15.271) 15.804 7.463 ( -3.162 0.000 15.274) 15.598 7.826 ( -2.076 0.000 7.942) 8.209 7.845 ( -2.566 0.000 7.535) 7.960 9.464 ( 0.205 0.000 -1.526) 1.540 9.486 ( 0.673 0.000 -1.439) 1.588 9.867 ( 0.417 0.000 -2.129) 2.170 9.893 ( 0.503 0.000 -2.078) 2.138 11.347 ( 0.517 0.000 -0.850) 0.994 11.391 ( 0.582 0.000 -1.059) 1.208 11.679 ( 1.881 0.000 -7.306) 7.545 11.688 ( 1.752 0.000 -7.495) 7.697 14.412 ( -0.535 0.000 2.016) 2.085 14.425 ( -0.636 0.000 2.085) 2.180 14.688 ( 0.552 0.000 -2.050) 2.123 14.705 ( 0.448 0.000 -1.998) 2.047 18.330 ( -0.485 0.000 3.378) 3.413 18.398 ( -1.391 0.000 3.422) 3.694 18.702 ( -1.248 0.000 -0.668) 1.415 18.743 ( 1.416 0.000 -0.745) 1.600 19.792 ( -3.137 0.000 18.783) 19.043 19.908 ( 0.859 0.000 21.381) 21.399 20.507 ( -0.668 0.000 4.188) 4.240 20.626 ( -0.051 0.000 4.613) 4.614 22.201 ( -0.026 0.000 -0.359) 0.360 22.381 ( -2.906 0.000 -0.742) 2.999 22.432 ( 0.770 0.000 -4.067) 4.140 22.577 ( -0.348 0.000 -4.528) 4.541 ======================= Grid point 74 (38/96) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.549 0.000 -5.110) 9.115 1.115 ( -10.395 0.000 -1.264) 10.471 1.261 ( -1.131 0.000 -5.160) 5.283 1.312 ( -0.579 0.000 3.019) 3.074 1.456 ( -2.033 0.000 -1.655) 2.621 1.533 ( -5.275 0.000 10.016) 11.320 1.576 ( 1.047 0.000 1.330) 1.693 1.636 ( 3.633 0.000 2.669) 4.508 1.674 ( -2.529 0.000 4.233) 4.931 1.804 ( 7.932 0.000 3.888) 8.834 2.022 ( -6.559 0.000 5.737) 8.714 2.099 ( 5.389 0.000 -4.670) 7.131 2.103 ( -2.896 0.000 -0.598) 2.957 2.269 ( -0.388 0.000 10.418) 10.425 2.275 ( -3.009 0.000 -2.062) 3.647 2.556 ( -2.976 0.000 8.757) 9.249 2.791 ( 1.211 0.000 12.983) 13.039 2.817 ( -4.606 0.000 22.714) 23.177 2.829 ( -1.326 0.000 -0.110) 1.331 2.901 ( -1.214 0.000 -1.708) 2.095 3.587 ( 3.815 0.000 -8.228) 9.070 3.655 ( 3.464 0.000 -5.227) 6.271 3.708 ( -3.523 0.000 11.734) 12.252 3.793 ( -4.675 0.000 7.028) 8.441 4.863 ( 2.841 0.000 -11.796) 12.133 4.926 ( 3.341 0.000 -11.088) 11.581 6.560 ( 2.080 0.000 -8.189) 8.449 6.575 ( 2.528 0.000 -8.180) 8.562 7.000 ( -1.618 0.000 4.481) 4.765 7.062 ( -1.233 0.000 3.959) 4.147 7.196 ( 0.900 0.000 -1.783) 1.998 7.221 ( 0.454 0.000 -0.623) 0.771 7.440 ( -3.941 0.000 15.217) 15.719 7.484 ( -3.255 0.000 15.262) 15.606 7.828 ( -2.048 0.000 7.473) 7.749 7.843 ( -1.657 0.000 7.677) 7.854 9.462 ( 0.423 0.000 -1.485) 1.544 9.494 ( 0.827 0.000 -1.354) 1.586 9.863 ( 0.400 0.000 -2.251) 2.286 9.892 ( 0.429 0.000 -2.138) 2.181 11.356 ( 0.708 0.000 -0.713) 1.004 11.399 ( 0.675 0.000 -0.987) 1.196 11.673 ( 1.615 0.000 -7.440) 7.613 11.682 ( 1.757 0.000 -7.504) 7.707 14.413 ( -0.483 0.000 2.033) 2.089 14.425 ( -0.499 0.000 2.074) 2.133 14.688 ( 0.622 0.000 -2.061) 2.153 14.704 ( 0.522 0.000 -1.999) 2.066 18.333 ( -0.926 0.000 3.118) 3.253 18.377 ( -2.367 0.000 3.245) 4.017 18.688 ( 0.082 0.000 0.094) 0.125 18.790 ( 3.652 0.000 -0.468) 3.682 19.823 ( -4.114 0.000 17.724) 18.195 20.060 ( 2.491 0.000 21.416) 21.561 20.523 ( -0.238 0.000 4.444) 4.450 20.664 ( 0.912 0.000 5.406) 5.483 22.206 ( 0.612 0.000 0.249) 0.661 22.317 ( -2.817 0.000 -1.184) 3.055 22.426 ( 0.856 0.000 -3.803) 3.898 22.538 ( -0.624 0.000 -5.387) 5.424 ======================= Grid point 75 (39/96) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -12.574 0.000 2.631) 12.846 0.879 ( -12.114 0.000 1.842) 12.253 1.222 ( -0.856 0.000 -3.447) 3.552 1.293 ( -3.879 0.000 4.562) 5.988 1.424 ( 1.189 0.000 -0.474) 1.280 1.529 ( -6.355 0.000 2.420) 6.800 1.530 ( -0.658 0.000 4.945) 4.989 1.609 ( -5.988 0.000 8.557) 10.445 1.714 ( 2.870 0.000 0.664) 2.945 1.938 ( -3.216 0.000 2.182) 3.886 1.984 ( 6.404 0.000 4.579) 7.872 2.067 ( 0.120 0.000 -1.085) 1.092 2.119 ( -0.825 0.000 -8.210) 8.251 2.286 ( 4.671 0.000 1.573) 4.929 2.328 ( 0.429 0.000 11.631) 11.639 2.552 ( -2.894 0.000 10.429) 10.823 2.761 ( -3.512 0.000 -2.769) 4.472 2.812 ( -7.355 0.000 29.035) 29.952 2.873 ( -2.405 0.000 1.962) 3.104 2.902 ( 3.327 0.000 -2.259) 4.021 3.611 ( 2.963 0.000 -7.960) 8.493 3.691 ( 3.090 0.000 -6.676) 7.357 3.719 ( -1.944 0.000 12.989) 13.134 3.743 ( -4.411 0.000 9.411) 10.393 4.860 ( 3.462 0.000 -12.243) 12.723 4.931 ( 2.977 0.000 -10.708) 11.114 6.558 ( 2.029 0.000 -7.779) 8.040 6.582 ( 2.744 0.000 -8.589) 9.017 6.991 ( -1.714 0.000 4.516) 4.830 7.058 ( -1.243 0.000 3.722) 3.924 7.206 ( 1.036 0.000 -2.036) 2.284 7.226 ( 0.295 0.000 -0.525) 0.602 7.441 ( -4.271 0.000 15.434) 16.014 7.492 ( -4.259 0.000 15.173) 15.759 7.828 ( -1.797 0.000 7.184) 7.405 7.857 ( -1.312 0.000 7.645) 7.757 9.465 ( 0.620 0.000 -1.517) 1.639 9.501 ( 0.583 0.000 -1.510) 1.618 9.860 ( 0.591 0.000 -2.260) 2.336 9.887 ( 0.375 0.000 -2.263) 2.294 11.366 ( 0.586 0.000 -0.621) 0.854 11.404 ( 0.415 0.000 -1.006) 1.088 11.665 ( 1.673 0.000 -7.362) 7.550 11.678 ( 1.944 0.000 -7.593) 7.838 14.415 ( -0.490 0.000 2.066) 2.123 14.427 ( -0.408 0.000 2.047) 2.087 14.690 ( 0.648 0.000 -2.091) 2.189 14.704 ( 0.614 0.000 -2.002) 2.094 18.329 ( -1.103 0.000 3.257) 3.438 18.343 ( -2.638 0.000 3.328) 4.247 18.704 ( 1.082 0.000 0.806) 1.350 18.875 ( 4.802 0.000 -1.751) 5.111 19.814 ( -6.053 0.000 16.654) 17.720 20.227 ( 2.822 0.000 16.224) 16.467 20.541 ( -0.440 0.000 4.254) 4.276 20.710 ( 0.571 0.000 4.535) 4.571 22.233 ( 1.698 0.000 2.170) 2.756 22.261 ( -1.988 0.000 -0.493) 2.048 22.425 ( 1.042 0.000 -3.446) 3.600 22.504 ( 0.320 0.000 -4.779) 4.789 ======================= Grid point 76 (40/96) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -12.096 0.000 14.294) 18.725 0.683 ( -8.351 0.000 9.508) 12.654 1.202 ( -0.026 0.000 2.305) 2.305 1.245 ( -2.903 0.000 5.986) 6.652 1.436 ( -2.813 0.000 1.620) 3.246 1.461 ( 1.289 0.000 -1.083) 1.683 1.540 ( -5.457 0.000 10.634) 11.952 1.549 ( 1.055 0.000 3.360) 3.522 1.743 ( -0.165 0.000 -0.936) 0.950 1.885 ( -2.591 0.000 -2.744) 3.774 2.063 ( -0.257 0.000 -4.278) 4.286 2.085 ( 1.604 0.000 4.183) 4.480 2.102 ( 2.689 0.000 -0.426) 2.723 2.398 ( 4.463 0.000 2.638) 5.184 2.419 ( 2.445 0.000 10.607) 10.885 2.552 ( -1.589 0.000 6.267) 6.465 2.694 ( -1.646 0.000 -0.005) 1.646 2.809 ( -5.130 0.000 1.727) 5.413 2.819 ( -7.233 0.000 27.136) 28.084 2.903 ( -1.869 0.000 -1.316) 2.285 3.619 ( 2.137 0.000 -8.033) 8.313 3.698 ( 1.632 0.000 -8.706) 8.858 3.718 ( -3.418 0.000 11.023) 11.541 3.769 ( -0.826 0.000 12.496) 12.523 4.867 ( 3.896 0.000 -12.515) 13.108 4.928 ( 2.493 0.000 -10.508) 10.799 6.557 ( 2.033 0.000 -7.421) 7.695 6.589 ( 2.606 0.000 -8.825) 9.202 6.984 ( -1.421 0.000 4.651) 4.863 7.053 ( -1.210 0.000 3.661) 3.855 7.214 ( 0.789 0.000 -2.141) 2.282 7.227 ( 0.146 0.000 -0.939) 0.950 7.438 ( -4.455 0.000 15.912) 16.524 7.482 ( -4.835 0.000 15.505) 16.241 7.833 ( -1.737 0.000 7.204) 7.410 7.870 ( -1.587 0.000 7.575) 7.739 9.468 ( 0.572 0.000 -1.665) 1.761 9.501 ( 0.331 0.000 -1.605) 1.639 9.861 ( 0.669 0.000 -2.166) 2.267 9.884 ( 0.612 0.000 -2.320) 2.400 11.369 ( 0.076 0.000 -0.738) 0.741 11.405 ( 0.200 0.000 -1.029) 1.048 11.662 ( 1.929 0.000 -7.174) 7.429 11.678 ( 2.254 0.000 -7.654) 7.979 14.416 ( -0.514 0.000 2.093) 2.155 14.430 ( -0.479 0.000 2.050) 2.105 14.691 ( 0.614 0.000 -2.118) 2.205 14.706 ( 0.652 0.000 -2.005) 2.109 18.308 ( -2.329 0.000 3.822) 4.475 18.333 ( -0.564 0.000 3.440) 3.486 18.732 ( 1.061 0.000 0.901) 1.392 18.937 ( 2.387 0.000 -4.247) 4.871 19.769 ( -6.979 0.000 16.203) 17.642 20.272 ( -6.489 0.000 5.555) 8.542 20.548 ( -1.082 0.000 3.701) 3.856 20.727 ( -0.906 0.000 2.692) 2.840 22.236 ( -0.552 0.000 0.247) 0.605 22.315 ( 4.653 0.000 4.541) 6.502 22.428 ( 1.140 0.000 -3.659) 3.833 22.505 ( 1.839 0.000 -2.742) 3.301 ======================= Grid point 77 (41/96) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.058 8.553 16.296) 18.519 0.831 ( 3.719 11.974 6.023) 13.910 1.176 ( 1.242 -7.354 6.426) 9.844 1.223 ( -0.366 -3.370 5.327) 6.314 1.413 ( -1.685 0.514 6.192) 6.437 1.433 ( 0.889 0.241 -0.429) 1.017 1.522 ( 0.273 0.161 4.982) 4.993 1.624 ( -0.779 0.039 0.213) 0.808 1.707 ( -2.400 0.332 0.589) 2.493 1.858 ( -0.109 1.743 -2.635) 3.161 1.953 ( 0.990 -6.843 1.182) 7.015 2.093 ( 0.989 -2.588 -0.973) 2.937 2.167 ( -1.753 3.810 3.298) 5.335 2.414 ( 0.744 -5.282 0.461) 5.354 2.518 ( 0.598 -0.025 10.670) 10.687 2.572 ( -0.903 -0.879 8.038) 8.136 2.688 ( -4.034 2.092 3.666) 5.838 2.772 ( 1.243 1.540 1.765) 2.652 2.833 ( -5.119 1.949 20.016) 20.752 2.883 ( -4.368 2.624 2.229) 5.562 3.622 ( 1.242 0.938 -8.426) 8.569 3.657 ( 0.149 -0.443 -9.543) 9.554 3.730 ( -1.979 0.979 10.611) 10.839 3.794 ( -0.896 -1.370 9.893) 10.028 4.880 ( 3.620 0.231 -11.997) 12.533 4.905 ( 2.383 -0.836 -10.532) 10.830 6.568 ( 2.058 0.768 -7.647) 7.956 6.590 ( 2.233 -0.065 -8.853) 9.131 6.991 ( -1.006 0.531 4.613) 4.752 7.035 ( -1.092 -1.186 3.911) 4.230 7.218 ( 0.072 0.432 -1.434) 1.500 7.226 ( 0.315 0.078 -1.768) 1.798 7.441 ( -4.502 0.461 16.007) 16.634 7.467 ( -4.567 -0.518 15.508) 16.175 7.843 ( -2.084 0.622 7.398) 7.711 7.870 ( -2.082 -0.426 7.545) 7.839 9.472 ( 0.430 0.239 -1.693) 1.763 9.492 ( 0.190 -0.463 -1.623) 1.698 9.867 ( 0.697 0.374 -2.164) 2.304 9.884 ( 0.853 -0.274 -2.145) 2.325 11.367 ( -0.266 0.489 -0.921) 1.077 11.395 ( 0.016 -0.567 -1.040) 1.184 11.668 ( 2.218 0.361 -7.225) 7.567 11.683 ( 2.375 -0.155 -7.510) 7.879 14.418 ( -0.583 0.161 2.083) 2.169 14.428 ( -0.587 -0.207 2.113) 2.202 14.694 ( 0.555 0.229 -2.106) 2.190 14.706 ( 0.599 -0.207 -2.027) 2.123 18.301 ( -1.119 0.785 4.045) 4.270 18.340 ( -0.127 -0.664 3.837) 3.896 18.766 ( -0.145 1.571 0.189) 1.589 18.880 ( -1.969 -2.767 -2.998) 4.530 19.743 ( -6.598 1.762 17.114) 18.427 19.941 ( -13.269 -7.330 14.975) 21.308 20.589 ( -2.333 3.519 1.244) 4.401 20.694 ( -2.335 -1.019 1.010) 2.740 22.244 ( 0.029 1.253 0.328) 1.296 22.359 ( 2.012 -3.784 0.606) 4.328 22.474 ( 2.225 1.608 -1.298) 3.037 22.530 ( 2.361 -0.869 -1.447) 2.902 ======================= Grid point 78 (42/96) ======================= q-point: ( 0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 4.389 4.302 13.357) 14.703 1.020 ( 10.256 8.967 4.273) 14.278 1.227 ( 0.141 -9.342 4.747) 10.480 1.274 ( 2.315 -2.519 4.822) 5.913 1.422 ( -1.317 1.770 -0.446) 2.251 1.475 ( 3.303 -0.066 3.660) 4.931 1.554 ( 0.693 1.885 8.560) 8.792 1.587 ( -2.434 -0.521 -0.160) 2.494 1.674 ( -1.326 0.562 1.239) 1.900 1.831 ( -2.135 5.365 -0.957) 5.853 1.994 ( 2.494 -8.447 -0.170) 8.809 2.060 ( -3.107 -0.726 -0.211) 3.198 2.158 ( -0.752 0.793 0.705) 1.300 2.390 ( -2.129 -5.066 -3.047) 6.284 2.563 ( -4.696 2.324 5.339) 7.481 2.579 ( -0.759 -0.914 9.232) 9.308 2.667 ( 1.025 2.023 5.221) 5.692 2.799 ( -4.225 -2.024 17.285) 17.909 2.819 ( -4.376 3.021 7.623) 9.294 2.864 ( 0.128 1.480 8.398) 8.528 3.593 ( 0.514 0.399 -8.853) 8.877 3.604 ( 0.544 -0.178 -9.780) 9.797 3.749 ( -1.797 1.744 9.684) 10.003 3.826 ( -0.809 -1.118 8.020) 8.138 4.887 ( 3.361 0.024 -11.454) 11.937 4.897 ( 2.691 -0.379 -10.677) 11.017 6.567 ( 2.018 0.568 -7.707) 7.987 6.584 ( 1.962 -0.069 -8.578) 8.800 6.998 ( -0.836 0.394 4.608) 4.700 7.037 ( -0.887 -1.136 4.140) 4.384 7.209 ( -0.169 0.535 -1.062) 1.201 7.222 ( 0.351 -0.016 -2.148) 2.176 7.439 ( -4.337 0.269 15.759) 16.348 7.457 ( -4.776 -0.428 15.206) 15.944 7.839 ( -2.390 0.544 7.761) 8.139 7.865 ( -2.483 -0.438 7.649) 8.054 9.471 ( 0.360 0.096 -1.658) 1.699 9.486 ( 0.108 -0.419 -1.597) 1.655 9.870 ( 0.770 0.436 -2.177) 2.350 9.890 ( 0.764 -0.295 -2.079) 2.234 11.356 ( -0.181 0.579 -0.976) 1.149 11.388 ( -0.069 -0.619 -1.133) 1.293 11.674 ( 2.288 0.340 -7.237) 7.598 11.689 ( 2.212 -0.178 -7.375) 7.702 14.417 ( -0.655 0.170 2.051) 2.159 14.427 ( -0.652 -0.205 2.109) 2.217 14.693 ( 0.494 0.249 -2.085) 2.157 14.706 ( 0.512 -0.227 -2.019) 2.095 18.310 ( -0.307 1.059 4.083) 4.229 18.363 ( 0.156 -0.900 3.960) 4.064 18.754 ( -0.792 0.779 -0.552) 1.240 18.807 ( -3.299 -1.253 -1.654) 3.897 19.731 ( -4.112 0.575 18.279) 18.744 19.799 ( -9.015 -2.285 18.525) 20.728 20.551 ( -2.281 2.541 2.387) 4.166 20.646 ( -2.750 -1.106 1.316) 3.243 22.241 ( -0.331 1.812 -0.185) 1.851 22.379 ( 0.366 -3.809 -1.133) 3.991 22.499 ( 0.701 1.739 -1.231) 2.243 22.566 ( 1.784 -1.113 -1.661) 2.680 ======================= Grid point 79 (43/96) ======================= q-point: ( 0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 7.441 -0.458 8.527) 11.326 1.213 ( 4.830 1.986 0.443) 5.241 1.268 ( 2.170 -5.004 5.617) 7.829 1.342 ( 0.912 -1.163 3.912) 4.182 1.370 ( -0.813 1.219 -2.684) 3.058 1.469 ( -2.992 -2.387 -2.802) 4.743 1.561 ( 0.286 0.330 2.361) 2.401 1.643 ( -0.271 -2.249 0.151) 2.270 1.736 ( 2.408 6.119 12.036) 13.715 1.765 ( 0.014 4.743 2.477) 5.351 1.932 ( -6.006 0.647 -1.343) 6.188 2.106 ( 3.186 -6.938 3.994) 8.616 2.147 ( 1.886 -0.299 -2.968) 3.529 2.306 ( -3.948 -2.352 -3.277) 5.645 2.474 ( -5.084 5.670 -0.389) 7.625 2.594 ( -2.197 -0.891 8.151) 8.489 2.725 ( -1.151 0.015 8.732) 8.808 2.757 ( -7.043 2.187 19.889) 21.212 2.827 ( -2.433 -1.077 12.950) 13.220 2.903 ( 0.182 -1.731 3.736) 4.122 3.558 ( 1.687 0.450 -9.715) 9.871 3.584 ( 1.833 -0.765 -7.292) 7.558 3.759 ( -2.392 2.261 9.246) 9.814 3.845 ( -1.588 -1.139 6.908) 7.179 4.885 ( 2.623 0.175 -10.891) 11.204 4.901 ( 3.503 -0.419 -11.333) 11.870 6.566 ( 2.181 0.373 -8.190) 8.483 6.577 ( 1.877 -0.037 -8.059) 8.275 7.006 ( -0.935 0.346 4.513) 4.622 7.043 ( -0.837 -1.137 4.234) 4.463 7.202 ( 0.024 0.619 -1.041) 1.211 7.217 ( 0.315 -0.055 -1.742) 1.771 7.438 ( -4.230 0.095 15.392) 15.963 7.448 ( -4.124 -0.246 15.234) 15.784 7.833 ( -2.410 0.461 7.927) 8.298 7.855 ( -2.687 -0.339 7.657) 8.122 9.469 ( 0.276 0.069 -1.558) 1.584 9.481 ( 0.242 -0.361 -1.573) 1.632 9.873 ( 0.658 0.437 -2.123) 2.266 9.892 ( 0.572 -0.261 -2.082) 2.175 11.351 ( 0.189 0.560 -0.948) 1.117 11.382 ( 0.152 -0.610 -1.153) 1.313 11.680 ( 2.155 0.247 -7.255) 7.573 11.690 ( 1.960 -0.141 -7.370) 7.628 14.415 ( -0.635 0.173 2.027) 2.131 14.425 ( -0.677 -0.203 2.083) 2.199 14.691 ( 0.485 0.252 -2.056) 2.127 14.704 ( 0.452 -0.230 -2.009) 2.072 18.328 ( -0.171 1.111 3.799) 3.962 18.384 ( -0.304 -0.958 3.760) 3.892 18.736 ( -0.400 0.099 -0.974) 1.058 18.743 ( -2.170 -0.187 -1.028) 2.409 19.763 ( -3.696 0.274 19.329) 19.681 19.791 ( -2.147 -0.730 19.935) 20.064 20.528 ( -1.534 1.868 3.392) 4.165 20.610 ( -1.712 -1.182 2.783) 3.475 22.230 ( -0.490 2.001 -0.486) 2.116 22.368 ( -0.759 -3.641 -1.233) 3.918 22.491 ( -0.283 2.347 -2.449) 3.404 22.578 ( 0.634 -1.411 -2.931) 3.314 ======================= Grid point 80 (44/96) ======================= q-point: ( 0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 2.990 -2.222 -0.305) 3.738 1.220 ( -6.469 -1.987 -0.486) 6.785 1.271 ( 2.052 -2.060 2.035) 3.549 1.326 ( -3.192 -1.465 -1.908) 3.997 1.419 ( 1.970 -1.745 2.123) 3.381 1.442 ( 2.259 -2.311 -0.574) 3.282 1.609 ( -0.851 1.719 6.146) 6.439 1.628 ( -0.250 -0.234 4.098) 4.113 1.679 ( -2.145 4.001 3.787) 5.912 1.818 ( -3.806 1.437 2.119) 4.587 1.958 ( 6.912 4.943 2.286) 8.800 2.108 ( -1.818 -1.954 3.750) 4.603 2.195 ( -3.664 -1.014 -1.172) 3.979 2.265 ( 5.147 -2.253 -2.775) 6.266 2.359 ( -5.532 6.210 0.354) 8.324 2.573 ( -1.876 -2.533 -2.465) 4.001 2.708 ( -5.163 2.440 23.845) 24.519 2.776 ( -5.062 -1.466 21.214) 21.859 2.846 ( -1.540 0.312 9.050) 9.186 2.908 ( -0.435 -2.515 -0.905) 2.708 3.560 ( 3.429 0.392 -8.736) 9.393 3.596 ( 2.885 -1.298 -5.843) 6.644 3.752 ( -3.327 2.278 9.379) 10.209 3.831 ( -3.432 -1.009 6.712) 7.606 4.877 ( 2.658 0.461 -11.239) 11.558 4.909 ( 3.433 -0.723 -11.348) 11.877 6.566 ( 2.322 0.276 -8.587) 8.900 6.573 ( 2.034 0.012 -7.781) 8.042 7.009 ( -1.185 0.390 4.392) 4.566 7.048 ( -0.985 -1.148 4.111) 4.381 7.199 ( 0.370 0.633 -1.217) 1.421 7.217 ( 0.388 -0.072 -1.038) 1.110 7.439 ( -3.937 0.280 15.261) 15.763 7.458 ( -3.311 -0.437 15.276) 15.637 7.830 ( -2.117 0.336 7.865) 8.152 7.843 ( -2.460 -0.152 7.571) 7.962 9.466 ( 0.291 0.171 -1.492) 1.529 9.481 ( 0.619 -0.401 -1.434) 1.613 9.872 ( 0.439 0.444 -2.145) 2.234 9.891 ( 0.504 -0.247 -2.108) 2.181 11.353 ( 0.512 0.519 -0.891) 1.152 11.384 ( 0.559 -0.615 -1.043) 1.334 11.681 ( 1.860 0.170 -7.318) 7.553 11.687 ( 1.771 -0.074 -7.452) 7.660 14.414 ( -0.550 0.155 2.024) 2.103 14.423 ( -0.622 -0.185 2.072) 2.172 14.690 ( 0.535 0.235 -2.041) 2.123 14.703 ( 0.463 -0.214 -2.005) 2.068 18.340 ( -0.630 0.943 3.371) 3.557 18.388 ( -1.275 -0.836 3.395) 3.722 18.707 ( -0.901 0.494 -0.638) 1.210 18.736 ( 0.969 -0.580 -0.694) 1.325 19.806 ( -2.707 1.273 19.154) 19.386 19.888 ( 0.049 -1.768 20.980) 21.054 20.528 ( -0.522 1.788 4.186) 4.581 20.611 ( -0.115 -1.328 4.477) 4.671 22.220 ( -0.220 1.781 -0.437) 1.847 22.338 ( -1.576 -2.983 -1.069) 3.539 22.467 ( -0.240 2.338 -3.709) 4.391 22.560 ( -0.352 -1.508 -4.401) 4.666 ======================= Grid point 81 (45/96) ======================= q-point: (-0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -10.053 -1.476 -0.212) 10.163 1.137 ( -2.829 -1.162 -4.849) 5.733 1.242 ( -4.292 -0.585 -0.678) 4.384 1.319 ( 1.862 -0.236 -0.196) 1.887 1.415 ( -4.305 -3.242 -0.066) 5.390 1.469 ( 0.236 -3.526 1.452) 3.821 1.593 ( -0.358 4.316 9.275) 10.236 1.689 ( 0.142 2.687 2.152) 3.445 1.726 ( 3.569 1.124 4.800) 6.086 1.815 ( 0.621 1.587 2.035) 2.655 1.959 ( -5.249 -3.778 5.144) 8.264 2.080 ( -5.185 -2.909 1.384) 6.104 2.175 ( 4.468 5.482 -4.976) 8.647 2.288 ( -0.896 1.629 -3.000) 3.530 2.315 ( -0.934 3.388 8.000) 8.738 2.536 ( -1.214 -2.962 3.306) 4.602 2.775 ( 0.079 -0.027 10.626) 10.627 2.788 ( -5.988 -0.635 26.431) 27.108 2.845 ( -2.987 0.290 6.313) 6.990 2.901 ( 1.478 -1.146 -1.683) 2.516 3.590 ( 3.777 0.321 -8.100) 8.942 3.630 ( 3.241 -1.554 -4.965) 6.129 3.733 ( -3.517 1.642 9.719) 10.466 3.786 ( -4.607 -0.663 7.585) 8.899 4.870 ( 2.896 0.679 -11.665) 12.038 4.915 ( 3.221 -0.995 -11.179) 11.676 6.565 ( 2.202 0.363 -8.239) 8.536 6.575 ( 2.535 -0.005 -8.272) 8.652 7.006 ( -1.503 0.502 4.335) 4.616 7.048 ( -1.195 -1.130 3.921) 4.252 7.203 ( 0.714 0.559 -1.403) 1.671 7.221 ( 0.452 -0.092 -0.571) 0.734 7.445 ( -3.845 0.486 15.221) 15.707 7.476 ( -3.388 -0.687 15.294) 15.680 7.832 ( -1.930 0.345 7.449) 7.703 7.843 ( -1.663 -0.060 7.585) 7.766 9.466 ( 0.503 0.344 -1.457) 1.580 9.488 ( 0.792 -0.506 -1.368) 1.660 9.869 ( 0.406 0.478 -2.248) 2.334 9.889 ( 0.428 -0.273 -2.171) 2.230 11.361 ( 0.691 0.492 -0.757) 1.138 11.391 ( 0.673 -0.632 -0.957) 1.329 11.675 ( 1.635 0.169 -7.437) 7.616 11.682 ( 1.740 -0.059 -7.484) 7.683 14.415 ( -0.488 0.138 2.040) 2.102 14.423 ( -0.502 -0.174 2.070) 2.137 14.691 ( 0.607 0.210 -2.051) 2.149 14.702 ( 0.537 -0.190 -2.008) 2.087 18.340 ( -1.147 0.608 3.113) 3.373 18.371 ( -2.160 -0.556 3.195) 3.897 18.701 ( 0.446 1.177 0.140) 1.267 18.773 ( 2.945 -1.511 -0.238) 3.319 19.847 ( -3.796 2.247 18.261) 18.787 20.010 ( 0.351 -4.141 20.873) 21.283 20.551 ( 0.454 2.344 4.542) 5.132 20.649 ( 0.958 -1.457 5.172) 5.458 22.219 ( 0.267 1.218 0.127) 1.253 22.296 ( -1.937 -1.737 -0.884) 2.748 22.446 ( 0.301 1.647 -4.065) 4.396 22.523 ( -0.516 -1.321 -5.184) 5.375 ======================= Grid point 82 (46/96) ======================= q-point: (-0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -9.748 2.822 4.264) 11.008 1.006 ( -7.602 5.586 -2.325) 9.715 1.177 ( -2.088 -3.698 0.620) 4.292 1.305 ( -5.755 -0.352 3.289) 6.638 1.359 ( 1.899 -3.827 -0.568) 4.310 1.463 ( -1.192 -2.873 0.192) 3.117 1.611 ( -5.629 4.729 4.976) 8.878 1.652 ( -3.380 3.725 5.741) 7.632 1.752 ( -0.961 2.613 2.239) 3.573 1.858 ( 2.681 -3.030 2.638) 4.830 1.951 ( -2.411 -5.620 3.883) 7.244 2.014 ( 1.436 -3.416 0.718) 3.774 2.195 ( 0.478 3.798 -4.244) 5.715 2.277 ( 1.090 -0.120 1.725) 2.045 2.377 ( 1.569 3.723 8.876) 9.752 2.542 ( -1.500 -1.755 7.747) 8.084 2.759 ( -2.712 0.792 -0.995) 2.995 2.813 ( -5.273 1.262 23.859) 24.467 2.835 ( -2.990 -1.220 7.997) 8.624 2.946 ( 2.868 0.307 -2.450) 3.784 3.617 ( 3.157 0.538 -7.794) 8.427 3.669 ( 3.151 -1.591 -4.576) 5.780 3.725 ( -2.535 0.370 9.911) 10.237 3.741 ( -4.233 -0.230 9.533) 10.433 4.868 ( 3.343 0.719 -12.007) 12.484 4.917 ( 2.934 -1.169 -10.912) 11.360 6.565 ( 2.243 0.587 -7.990) 8.320 6.583 ( 2.753 -0.049 -8.613) 9.042 6.997 ( -1.639 0.611 4.380) 4.716 7.044 ( -1.302 -1.155 3.790) 4.171 7.212 ( 0.872 0.467 -1.624) 1.901 7.227 ( 0.381 -0.028 -0.521) 0.646 7.447 ( -4.233 0.600 15.418) 15.999 7.483 ( -4.236 -0.766 15.302) 15.896 7.835 ( -1.648 0.570 7.115) 7.326 7.855 ( -1.351 -0.184 7.480) 7.603 9.469 ( 0.631 0.431 -1.518) 1.699 9.495 ( 0.610 -0.524 -1.518) 1.718 9.866 ( 0.540 0.441 -2.255) 2.361 9.885 ( 0.389 -0.266 -2.266) 2.315 11.370 ( 0.558 0.426 -0.668) 0.969 11.398 ( 0.444 -0.580 -0.950) 1.198 11.668 ( 1.720 0.226 -7.392) 7.593 11.677 ( 1.918 -0.098 -7.563) 7.803 14.416 ( -0.482 0.145 2.069) 2.130 14.425 ( -0.431 -0.194 2.061) 2.115 14.692 ( 0.644 0.197 -2.079) 2.186 14.702 ( 0.620 -0.176 -2.018) 2.119 18.332 ( -1.321 0.190 3.243) 3.507 18.341 ( -2.401 -0.157 3.293) 4.078 18.724 ( 1.346 1.826 0.779) 2.399 18.844 ( 3.932 -2.684 -0.931) 4.851 19.845 ( -6.052 2.958 17.220) 18.491 20.110 ( -1.722 -8.492 17.892) 19.880 20.592 ( 1.085 3.323 3.718) 5.103 20.695 ( 0.786 -1.346 4.254) 4.531 22.236 ( 1.136 0.322 1.720) 2.087 22.257 ( -1.433 -0.425 -0.126) 1.500 22.437 ( 0.935 1.052 -3.634) 3.897 22.493 ( 0.442 -0.996 -4.586) 4.713 ======================= Grid point 83 (47/96) ======================= q-point: (-0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -6.063 7.592 11.161) 14.797 0.850 ( -7.148 10.796 4.118) 13.587 1.150 ( -1.606 -5.255 4.116) 6.866 1.230 ( -3.240 -2.155 4.502) 5.951 1.401 ( 1.813 -1.955 0.006) 2.666 1.441 ( -1.261 -1.897 1.097) 2.528 1.508 ( -4.548 1.839 7.823) 9.234 1.636 ( -1.296 2.943 1.943) 3.757 1.743 ( -1.346 0.070 1.268) 1.850 1.880 ( -0.538 -2.368 -2.001) 3.147 1.934 ( 0.126 -4.419 1.959) 4.835 2.067 ( 1.743 -2.657 0.140) 3.181 2.178 ( -1.131 3.731 2.521) 4.643 2.350 ( 3.480 -3.327 4.237) 6.413 2.453 ( 0.780 2.139 9.366) 9.638 2.555 ( -1.388 -0.917 7.313) 7.500 2.714 ( -1.245 1.859 1.190) 2.535 2.792 ( -3.412 0.003 2.705) 4.354 2.832 ( -5.654 1.869 21.482) 22.292 2.949 ( -1.261 1.561 -2.833) 3.472 3.630 ( 2.429 1.038 -8.114) 8.533 3.689 ( 1.664 -0.893 -7.887) 8.109 3.720 ( -2.926 0.236 10.420) 10.825 3.752 ( -1.210 -1.293 12.426) 12.552 4.873 ( 3.647 0.501 -12.203) 12.747 4.913 ( 2.604 -1.163 -10.696) 11.070 6.567 ( 2.223 0.781 -7.812) 8.160 6.590 ( 2.610 -0.057 -8.826) 9.204 6.990 ( -1.402 0.628 4.499) 4.754 7.038 ( -1.268 -1.213 3.772) 4.160 7.219 ( 0.730 0.399 -1.874) 2.050 7.229 ( 0.147 0.098 -0.840) 0.859 7.444 ( -4.482 0.581 15.837) 16.469 7.475 ( -4.734 -0.577 15.576) 16.290 7.841 ( -1.703 0.678 7.083) 7.316 7.866 ( -1.630 -0.323 7.435) 7.618 9.472 ( 0.507 0.386 -1.668) 1.786 9.496 ( 0.354 -0.479 -1.635) 1.740 9.866 ( 0.635 0.354 -2.156) 2.275 9.881 ( 0.595 -0.241 -2.271) 2.360 11.374 ( 0.103 0.397 -0.756) 0.860 11.399 ( 0.194 -0.525 -0.979) 1.128 11.665 ( 1.998 0.300 -7.258) 7.534 11.677 ( 2.238 -0.127 -7.614) 7.937 14.418 ( -0.511 0.158 2.093) 2.160 14.427 ( -0.487 -0.213 2.075) 2.142 14.694 ( 0.621 0.206 -2.104) 2.203 14.704 ( 0.647 -0.184 -2.027) 2.136 18.312 ( -2.050 0.357 3.749) 4.288 18.330 ( -0.801 -0.291 3.480) 3.583 18.754 ( 1.015 2.041 0.770) 2.406 18.898 ( 1.873 -3.375 -2.674) 4.695 19.797 ( -7.484 2.817 16.694) 18.511 20.100 ( -8.380 -11.328 13.462) 19.488 20.616 ( -0.503 3.780 1.276) 4.021 20.717 ( -0.625 -1.082 2.339) 2.652 22.242 ( -0.257 0.518 0.574) 0.815 22.292 ( 2.886 -1.648 3.293) 4.678 22.444 ( 1.623 1.242 -2.965) 3.602 22.497 ( 1.864 -0.814 -2.697) 3.378 ======================= Grid point 84 (48/96) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.256 -9.481 9.726) 13.584 0.936 ( -0.256 9.481 9.726) 13.584 1.104 ( 0.924 -7.331 2.314) 7.743 1.104 ( 0.924 7.331 2.314) 7.743 1.440 ( 1.561 -0.309 0.662) 1.724 1.440 ( 1.561 0.309 0.662) 1.724 1.563 ( -0.806 -4.542 3.738) 5.937 1.563 ( -0.806 4.542 3.738) 5.937 1.752 ( -1.860 -4.451 4.172) 6.378 1.752 ( -1.860 4.451 4.172) 6.378 2.003 ( 0.770 -5.143 -1.859) 5.523 2.003 ( 0.770 5.143 -1.859) 5.523 2.283 ( -1.195 -6.385 3.143) 7.216 2.283 ( -1.195 6.385 3.143) 7.216 2.538 ( -1.113 -1.700 11.158) 11.342 2.538 ( -1.113 1.700 11.158) 11.342 2.745 ( -2.573 -2.675 6.992) 7.916 2.745 ( -2.573 2.675 6.992) 7.916 2.895 ( -2.357 -1.854 3.213) 4.395 2.895 ( -2.357 1.854 3.213) 4.395 3.643 ( 0.563 -0.885 -8.667) 8.730 3.643 ( 0.563 0.885 -8.667) 8.730 3.759 ( -0.944 -1.716 9.945) 10.136 3.759 ( -0.944 1.716 9.945) 10.136 4.889 ( 3.063 -0.612 -11.241) 11.667 4.889 ( 3.063 0.612 -11.241) 11.667 6.584 ( 2.141 -0.558 -8.392) 8.678 6.584 ( 2.141 0.558 -8.392) 8.678 7.009 ( -1.055 -1.128 4.175) 4.452 7.009 ( -1.055 1.128 4.175) 4.452 7.225 ( 0.147 -0.175 -1.429) 1.448 7.225 ( 0.147 0.175 -1.429) 1.448 7.454 ( -4.583 -0.678 15.744) 16.412 7.454 ( -4.583 0.678 15.744) 16.412 7.858 ( -2.120 -0.698 7.434) 7.762 7.858 ( -2.120 0.698 7.434) 7.762 9.481 ( 0.258 -0.544 -1.654) 1.760 9.481 ( 0.258 0.544 -1.654) 1.760 9.876 ( 0.779 -0.454 -2.141) 2.323 9.876 ( 0.779 0.454 -2.141) 2.323 11.381 ( -0.111 -0.746 -0.973) 1.231 11.381 ( -0.111 0.746 -0.973) 1.231 11.677 ( 2.302 -0.391 -7.389) 7.749 11.677 ( 2.302 0.391 -7.389) 7.749 14.423 ( -0.581 -0.257 2.098) 2.192 14.423 ( -0.581 0.257 2.098) 2.192 14.700 ( 0.577 -0.307 -2.068) 2.169 14.700 ( 0.577 0.307 -2.068) 2.169 18.322 ( -0.604 -1.026 3.935) 4.111 18.322 ( -0.604 1.026 3.935) 4.111 18.815 ( -1.057 -2.920 -0.690) 3.181 18.815 ( -1.057 2.920 -0.690) 3.181 19.809 ( -8.997 -4.615 17.613) 20.309 19.809 ( -8.997 4.615 17.613) 20.309 20.656 ( -2.340 -2.561 0.618) 3.524 20.656 ( -2.340 2.561 0.618) 3.524 22.287 ( 0.887 -2.810 0.836) 3.062 22.287 ( 0.887 2.810 0.836) 3.062 22.506 ( 2.216 -1.401 -1.393) 2.969 22.506 ( 2.216 1.401 -1.393) 2.969 ======================= Grid point 86 (49/96) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.044 -10.435 9.699) 14.285 0.999 ( 1.044 10.435 9.699) 14.285 1.189 ( 5.264 -5.784 2.856) 8.326 1.189 ( 5.264 5.784 2.856) 8.326 1.464 ( 0.200 -1.463 -0.689) 1.629 1.464 ( 0.200 1.463 -0.689) 1.629 1.570 ( -0.289 -1.174 1.354) 1.815 1.570 ( -0.289 1.174 1.354) 1.815 1.780 ( 2.793 -8.484 5.677) 10.584 1.780 ( 2.793 8.484 5.677) 10.584 1.969 ( -3.915 -5.860 0.033) 7.048 1.969 ( -3.915 5.860 0.033) 7.048 2.261 ( -1.123 -6.561 -1.294) 6.781 2.261 ( -1.123 6.561 -1.294) 6.781 2.576 ( -1.778 -0.371 10.580) 10.735 2.576 ( -1.778 0.371 10.580) 10.735 2.734 ( -2.193 -3.638 8.437) 9.446 2.734 ( -2.193 3.638 8.437) 9.446 2.871 ( -2.904 -1.165 6.786) 7.472 2.871 ( -2.904 1.165 6.786) 7.472 3.600 ( 0.365 -0.249 -9.175) 9.186 3.600 ( 0.365 0.249 -9.175) 9.186 3.791 ( -1.006 -2.012 8.608) 8.897 3.791 ( -1.006 2.012 8.608) 8.897 4.890 ( 3.085 -0.246 -11.048) 11.474 4.890 ( 3.085 0.246 -11.048) 11.474 6.579 ( 1.952 -0.438 -8.242) 8.482 6.579 ( 1.952 0.438 -8.242) 8.482 7.013 ( -0.847 -0.994 4.229) 4.426 7.013 ( -0.847 0.994 4.229) 4.426 7.219 ( 0.047 -0.295 -1.405) 1.436 7.219 ( 0.047 0.295 -1.405) 1.436 7.447 ( -4.564 -0.475 15.481) 16.147 7.447 ( -4.564 0.475 15.481) 16.147 7.853 ( -2.444 -0.694 7.705) 8.113 7.853 ( -2.444 0.694 7.705) 8.113 9.477 ( 0.211 -0.417 -1.579) 1.647 9.477 ( 0.211 0.417 -1.579) 1.647 9.881 ( 0.789 -0.512 -2.156) 2.352 9.881 ( 0.789 0.512 -2.156) 2.352 11.372 ( -0.118 -0.841 -1.060) 1.358 11.372 ( -0.118 0.841 -1.060) 1.358 11.683 ( 2.231 -0.381 -7.315) 7.657 11.683 ( 2.231 0.381 -7.315) 7.657 14.422 ( -0.650 -0.266 2.076) 2.191 14.422 ( -0.650 0.266 2.076) 2.191 14.700 ( 0.503 -0.335 -2.052) 2.139 14.700 ( 0.503 0.335 -2.052) 2.139 18.338 ( -0.070 -1.398 4.023) 4.260 18.338 ( -0.070 1.398 4.023) 4.260 18.777 ( -1.898 -1.372 -0.845) 2.490 18.777 ( -1.898 1.372 -0.845) 2.490 19.754 ( -5.939 -1.674 18.748) 19.737 19.754 ( -5.939 1.674 18.748) 19.737 20.608 ( -2.701 -2.439 1.471) 3.925 20.608 ( -2.701 2.439 1.471) 3.925 22.298 ( 0.071 -3.461 -0.198) 3.467 22.298 ( 0.071 3.461 -0.198) 3.467 22.535 ( 1.340 -1.667 -1.590) 2.665 22.535 ( 1.340 1.667 -1.590) 2.665 ======================= Grid point 88 (50/96) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 2.708 -6.486 7.508) 10.285 1.086 ( 2.708 6.486 7.508) 10.285 1.304 ( 3.377 -2.418 2.743) 4.977 1.304 ( 3.377 2.418 2.743) 4.977 1.415 ( -3.127 -2.541 -2.880) 4.952 1.415 ( -3.127 2.541 -2.880) 4.952 1.587 ( 1.287 -2.191 1.638) 3.023 1.587 ( 1.287 2.191 1.638) 3.023 1.862 ( -6.914 -4.523 4.360) 9.342 1.862 ( -6.914 4.523 4.360) 9.342 1.929 ( 8.346 -8.375 3.389) 12.300 1.929 ( 8.346 8.375 3.389) 12.300 2.220 ( -1.690 -5.117 -3.474) 6.412 2.220 ( -1.690 5.117 -3.474) 6.412 2.566 ( -3.296 -2.381 4.302) 5.919 2.566 ( -3.296 2.381 4.302) 5.919 2.747 ( -3.733 -2.250 15.290) 15.900 2.747 ( -3.733 2.250 15.290) 15.900 2.853 ( -2.282 -2.798 7.217) 8.070 2.853 ( -2.282 2.798 7.217) 8.070 3.569 ( 1.620 -0.604 -8.651) 8.822 3.569 ( 1.620 0.604 -8.651) 8.822 3.809 ( -1.889 -2.174 8.006) 8.508 3.809 ( -1.889 2.174 8.006) 8.508 4.891 ( 3.065 -0.430 -11.085) 11.509 4.891 ( 3.065 0.430 -11.085) 11.509 6.574 ( 2.014 -0.288 -8.193) 8.442 6.574 ( 2.014 0.288 -8.193) 8.442 7.019 ( -0.846 -0.955 4.211) 4.400 7.019 ( -0.846 0.955 4.211) 4.400 7.213 ( 0.124 -0.374 -1.176) 1.240 7.213 ( 0.124 0.374 -1.176) 1.240 7.442 ( -4.170 -0.245 15.301) 15.861 7.442 ( -4.170 0.245 15.301) 15.861 7.844 ( -2.532 -0.572 7.789) 8.210 7.844 ( -2.532 0.572 7.789) 8.210 9.473 ( 0.266 -0.321 -1.523) 1.579 9.473 ( 0.266 0.321 -1.523) 1.579 9.884 ( 0.633 -0.483 -2.138) 2.281 9.884 ( 0.633 0.483 -2.138) 2.281 11.366 ( 0.162 -0.823 -1.064) 1.354 11.366 ( 0.162 0.823 -1.064) 1.354 11.686 ( 2.044 -0.279 -7.304) 7.590 11.686 ( 2.044 0.279 -7.304) 7.590 14.420 ( -0.654 -0.266 2.051) 2.169 14.420 ( -0.654 0.266 2.051) 2.169 14.698 ( 0.468 -0.340 -2.031) 2.112 14.698 ( 0.468 0.340 -2.031) 2.112 18.357 ( -0.246 -1.471 3.778) 4.061 18.357 ( -0.246 1.471 3.778) 4.061 18.739 ( -1.248 -0.194 -0.963) 1.588 18.739 ( -1.248 0.194 -0.963) 1.588 19.774 ( -2.789 -0.752 19.690) 19.900 19.774 ( -2.789 0.752 19.690) 19.900 20.573 ( -1.736 -2.146 2.925) 4.022 20.573 ( -1.736 2.146 2.925) 4.022 22.290 ( -0.569 -3.459 -0.670) 3.569 22.290 ( -0.569 3.459 -0.670) 3.569 22.539 ( 0.251 -2.154 -2.773) 3.521 22.539 ( 0.251 2.154 -2.773) 3.521 ======================= Grid point 90 (51/96) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -1.334 -1.737 3.439) 4.077 1.153 ( -1.334 1.737 3.439) 4.077 1.287 ( -1.332 -1.905 -2.484) 3.402 1.287 ( -1.332 1.905 -2.484) 3.402 1.409 ( 1.147 -0.680 1.009) 1.672 1.409 ( 1.147 0.680 1.009) 1.672 1.633 ( 1.824 -0.284 3.498) 3.956 1.633 ( 1.824 0.284 3.498) 3.956 1.763 ( -4.920 -4.494 6.680) 9.436 1.763 ( -4.920 4.494 6.680) 9.436 2.081 ( 0.710 -3.789 1.941) 4.316 2.081 ( 0.710 3.789 1.941) 4.316 2.193 ( 4.488 -2.764 -4.874) 7.179 2.193 ( 4.488 2.764 -4.874) 7.179 2.490 ( -4.689 -5.197 -0.662) 7.031 2.490 ( -4.689 5.197 -0.662) 7.031 2.753 ( -6.042 -1.392 25.705) 26.442 2.753 ( -6.042 1.392 25.705) 26.442 2.857 ( -0.284 -1.581 1.850) 2.450 2.857 ( -0.284 1.581 1.850) 2.450 3.573 ( 3.125 -0.841 -7.706) 8.358 3.573 ( 3.125 0.841 -7.706) 8.358 3.799 ( -3.415 -1.972 8.059) 8.972 3.799 ( -3.415 1.972 8.059) 8.972 4.891 ( 3.024 -0.840 -11.267) 11.696 4.891 ( 3.024 0.840 -11.267) 11.696 6.571 ( 2.198 -0.183 -8.246) 8.536 6.571 ( 2.198 0.183 -8.246) 8.536 7.023 ( -1.022 -0.997 4.123) 4.363 7.023 ( -1.022 0.997 4.123) 4.363 7.212 ( 0.307 -0.429 -0.926) 1.066 7.212 ( 0.307 0.429 -0.926) 1.066 7.447 ( -3.633 -0.498 15.263) 15.697 7.447 ( -3.633 0.498 15.263) 15.697 7.838 ( -2.256 -0.350 7.699) 8.030 7.838 ( -2.256 0.350 7.699) 8.030 9.472 ( 0.470 -0.399 -1.444) 1.570 9.472 ( 0.470 0.399 -1.444) 1.570 9.883 ( 0.483 -0.480 -2.149) 2.254 9.883 ( 0.483 0.480 -2.149) 2.254 11.368 ( 0.522 -0.797 -0.980) 1.366 11.368 ( 0.522 0.797 -0.980) 1.366 11.685 ( 1.814 -0.178 -7.370) 7.592 11.685 ( 1.814 0.178 -7.370) 7.592 14.418 ( -0.586 -0.240 2.046) 2.142 14.418 ( -0.586 0.240 2.046) 2.142 14.697 ( 0.498 -0.317 -2.022) 2.106 14.697 ( 0.498 0.317 -2.022) 2.106 18.365 ( -0.968 -1.255 3.366) 3.721 18.365 ( -0.968 1.255 3.366) 3.721 18.721 ( -0.016 -0.744 -0.626) 0.972 18.721 ( -0.016 0.744 -0.626) 0.972 19.843 ( -1.510 -2.120 20.052) 20.221 19.843 ( -1.510 2.120 20.052) 20.221 20.573 ( -0.284 -2.190 4.261) 4.799 20.573 ( -0.284 2.190 4.261) 4.799 22.272 ( -0.762 -2.965 -0.711) 3.143 22.272 ( -0.762 2.965 -0.711) 3.143 22.518 ( -0.370 -2.317 -4.058) 4.687 22.518 ( -0.370 2.317 -4.058) 4.687 ======================= Grid point 92 (52/96) ======================= q-point: (-0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.482 -3.468 -0.158) 6.489 1.067 ( -5.482 3.468 -0.158) 6.489 1.272 ( -1.504 -2.887 -1.837) 3.738 1.272 ( -1.504 2.887 -1.837) 3.738 1.411 ( -1.135 -2.114 1.406) 2.781 1.411 ( -1.135 2.114 1.406) 2.781 1.690 ( 1.088 -3.006 4.696) 5.681 1.690 ( 1.088 3.006 4.696) 5.681 1.769 ( 2.195 -4.424 5.557) 7.435 1.769 ( 2.195 4.424 5.557) 7.435 1.988 ( -7.882 -4.993 1.243) 9.413 1.988 ( -7.882 4.993 1.243) 9.413 2.273 ( 1.967 -2.849 -3.874) 5.196 2.273 ( 1.967 2.849 -3.874) 5.196 2.428 ( -0.595 -6.119 3.476) 7.062 2.428 ( -0.595 6.119 3.476) 7.062 2.794 ( -4.003 -0.457 24.070) 24.405 2.794 ( -4.003 0.457 24.070) 24.405 2.854 ( 0.173 -1.928 -1.016) 2.186 2.854 ( 0.173 1.928 -1.016) 2.186 3.603 ( 3.642 -0.948 -7.154) 8.083 3.603 ( 3.642 0.948 -7.154) 8.083 3.765 ( -4.261 -1.317 8.719) 9.793 3.765 ( -4.261 1.317 8.719) 9.793 4.890 ( 3.030 -1.162 -11.402) 11.855 4.890 ( 3.030 1.162 -11.402) 11.855 6.572 ( 2.429 -0.266 -8.326) 8.677 6.572 ( 2.429 0.266 -8.326) 8.677 7.023 ( -1.286 -1.090 4.056) 4.392 7.023 ( -1.286 1.090 4.056) 4.392 7.215 ( 0.505 -0.465 -0.795) 1.050 7.215 ( 0.505 0.465 -0.795) 1.050 7.459 ( -3.634 -0.796 15.276) 15.722 7.459 ( -3.634 0.796 15.276) 15.722 7.839 ( -1.744 -0.292 7.463) 7.670 7.839 ( -1.744 0.292 7.463) 7.670 9.476 ( 0.670 -0.597 -1.406) 1.668 9.476 ( 0.670 0.597 -1.406) 1.668 9.880 ( 0.419 -0.527 -2.225) 2.324 9.880 ( 0.419 0.527 -2.225) 2.324 11.375 ( 0.674 -0.792 -0.864) 1.352 11.375 ( 0.674 0.792 -0.864) 1.352 11.679 ( 1.689 -0.171 -7.449) 7.639 11.679 ( 1.689 0.171 -7.449) 7.639 14.419 ( -0.499 -0.219 2.056) 2.127 14.419 ( -0.499 0.219 2.056) 2.127 14.696 ( 0.572 -0.283 -2.029) 2.127 14.696 ( 0.572 0.283 -2.029) 2.127 18.356 ( -1.661 -0.817 3.128) 3.634 18.356 ( -1.661 0.817 3.128) 3.634 18.735 ( 1.527 -1.858 0.086) 2.406 18.735 ( 1.527 1.858 0.086) 2.406 19.916 ( -2.484 -4.147 19.578) 20.166 19.916 ( -2.484 4.147 19.578) 20.166 20.606 ( 0.962 -2.485 4.765) 5.459 20.606 ( 0.962 2.485 4.765) 5.459 22.254 ( -0.670 -1.966 -0.292) 2.098 22.254 ( -0.670 1.966 -0.292) 2.098 22.486 ( -0.228 -1.981 -4.654) 5.063 22.486 ( -0.228 1.981 -4.654) 5.063 ======================= Grid point 94 (53/96) ======================= q-point: (-0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -4.045 -7.300 1.226) 8.435 0.972 ( -4.045 7.300 1.226) 8.435 1.200 ( -4.349 -5.648 0.653) 7.158 1.200 ( -4.349 5.648 0.653) 7.158 1.394 ( -0.808 -3.539 0.415) 3.654 1.394 ( -0.808 3.539 0.415) 3.654 1.693 ( -3.524 -1.888 1.125) 4.153 1.693 ( -3.524 1.888 1.125) 4.153 1.819 ( -4.994 -5.399 6.439) 9.775 1.819 ( -4.994 5.399 6.439) 9.775 1.899 ( 3.468 -5.935 2.385) 7.276 1.899 ( 3.468 5.935 2.385) 7.276 2.258 ( -0.649 -2.075 -0.544) 2.241 2.258 ( -0.649 2.075 -0.544) 2.241 2.469 ( 0.070 -4.505 8.222) 9.376 2.469 ( 0.070 4.505 8.222) 9.376 2.797 ( -4.028 -2.265 8.409) 9.595 2.797 ( -4.028 2.265 8.409) 9.595 2.893 ( 1.330 -4.634 5.538) 7.342 2.893 ( 1.330 4.634 5.538) 7.342 3.636 ( 3.356 -1.322 -6.493) 7.428 3.636 ( 3.356 1.322 -6.493) 7.428 3.734 ( -3.631 -0.424 9.569) 10.244 3.734 ( -3.631 0.424 9.569) 10.244 4.889 ( 3.075 -1.238 -11.452) 11.922 4.889 ( 3.075 1.238 -11.452) 11.922 6.578 ( 2.592 -0.456 -8.405) 8.807 6.578 ( 2.592 0.456 -8.405) 8.807 7.017 ( -1.455 -1.203 4.053) 4.471 7.017 ( -1.455 1.203 4.053) 4.471 7.222 ( 0.583 -0.428 -0.879) 1.138 7.222 ( 0.583 0.428 -0.879) 1.138 7.464 ( -4.203 -0.920 15.411) 16.000 7.464 ( -4.203 0.920 15.411) 16.000 7.848 ( -1.456 -0.502 7.197) 7.360 7.848 ( -1.456 0.502 7.197) 7.360 9.482 ( 0.640 -0.676 -1.523) 1.785 9.482 ( 0.640 0.676 -1.523) 1.785 9.876 ( 0.445 -0.496 -2.258) 2.354 9.876 ( 0.445 0.496 -2.258) 2.354 11.383 ( 0.502 -0.715 -0.807) 1.190 11.383 ( 0.502 0.715 -0.807) 1.190 11.673 ( 1.827 -0.245 -7.475) 7.700 11.673 ( 1.827 0.245 -7.475) 7.700 14.420 ( -0.462 -0.232 2.073) 2.136 14.420 ( -0.462 0.232 2.073) 2.136 14.697 ( 0.633 -0.264 -2.050) 2.162 14.697 ( 0.633 0.264 -2.050) 2.162 18.337 ( -1.852 -0.249 3.244) 3.744 18.337 ( -1.852 0.249 3.244) 3.744 18.778 ( 2.331 -3.111 0.318) 3.901 18.778 ( 2.331 3.111 0.318) 3.901 19.944 ( -5.327 -6.432 18.336) 20.148 19.944 ( -5.327 6.432 18.336) 20.148 20.654 ( 1.229 -2.471 3.704) 4.619 20.654 ( 1.229 2.471 3.704) 4.619 22.246 ( -0.150 -0.531 0.760) 0.939 22.246 ( -0.150 0.531 0.760) 0.939 22.465 ( 0.693 -1.459 -4.105) 4.411 22.465 ( 0.693 1.459 -4.105) 4.411 ======================= Grid point 96 (54/96) ======================= q-point: (-0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -2.356 -8.428 4.680) 9.924 0.921 ( -2.356 8.428 4.680) 9.924 1.125 ( -3.922 -6.925 3.412) 8.659 1.125 ( -3.922 6.925 3.412) 8.659 1.401 ( 1.486 -1.611 0.432) 2.234 1.401 ( 1.486 1.611 0.432) 2.234 1.598 ( -4.722 -5.497 2.722) 7.741 1.598 ( -4.722 5.497 2.722) 7.741 1.778 ( -2.747 -3.485 4.780) 6.522 1.778 ( -2.747 3.485 4.780) 6.522 1.977 ( 2.535 -4.670 -0.554) 5.342 1.977 ( 2.535 4.670 -0.554) 5.342 2.266 ( 0.263 -4.356 4.276) 6.109 2.266 ( 0.263 4.356 4.276) 6.109 2.507 ( -1.198 -2.881 9.960) 10.438 2.507 ( -1.198 2.881 9.960) 10.438 2.762 ( -2.922 -2.381 5.966) 7.057 2.762 ( -2.922 2.381 5.966) 7.057 2.920 ( -1.031 -4.101 2.553) 4.939 2.920 ( -1.031 4.101 2.553) 4.939 3.660 ( 2.410 -1.610 -7.734) 8.260 3.660 ( 2.410 1.610 -7.734) 8.260 3.729 ( -2.224 -0.709 11.103) 11.346 3.729 ( -2.224 0.709 11.103) 11.346 4.889 ( 3.079 -1.005 -11.429) 11.879 4.889 ( 3.079 1.005 -11.429) 11.879 6.583 ( 2.488 -0.576 -8.462) 8.839 6.583 ( 2.488 0.576 -8.462) 8.839 7.010 ( -1.346 -1.233 4.105) 4.493 7.010 ( -1.346 1.233 4.105) 4.493 7.227 ( 0.401 -0.290 -1.176) 1.276 7.227 ( 0.401 0.290 -1.176) 1.276 7.460 ( -4.573 -0.806 15.704) 16.376 7.460 ( -4.573 0.806 15.704) 16.376 7.856 ( -1.681 -0.636 7.161) 7.383 7.856 ( -1.681 0.636 7.161) 7.383 9.484 ( 0.415 -0.625 -1.672) 1.833 9.484 ( 0.415 0.625 -1.672) 1.833 9.874 ( 0.590 -0.416 -2.183) 2.299 9.874 ( 0.590 0.416 -2.183) 2.299 11.385 ( 0.160 -0.659 -0.857) 1.093 11.385 ( 0.160 0.659 -0.857) 1.093 11.672 ( 2.138 -0.325 -7.449) 7.757 11.672 ( 2.138 0.325 -7.449) 7.757 14.422 ( -0.501 -0.252 2.093) 2.167 14.422 ( -0.501 0.252 2.093) 2.167 14.699 ( 0.635 -0.275 -2.068) 2.180 14.699 ( 0.635 0.275 -2.068) 2.180 18.321 ( -1.404 -0.448 3.599) 3.889 18.321 ( -1.404 0.448 3.599) 3.889 18.817 ( 1.158 -3.716 -0.215) 3.898 18.817 ( 1.158 3.716 -0.215) 3.898 19.899 ( -8.583 -7.021 17.257) 20.512 19.899 ( -8.583 7.021 17.257) 20.512 20.680 ( -0.355 -2.330 1.508) 2.798 20.680 ( -0.355 2.330 1.508) 2.798 22.260 ( 0.835 -1.221 1.597) 2.177 22.260 ( 0.835 1.221 1.597) 2.177 22.473 ( 1.852 -1.343 -2.627) 3.484 22.473 ( 1.852 1.343 -2.627) 3.484 ======================= Grid point 105 (55/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 3.959 0.000 9.216) 10.031 1.000 ( -4.300 0.000 17.532) 18.052 1.298 ( 0.848 0.000 -1.817) 2.005 1.394 ( -1.293 0.000 7.607) 7.716 1.485 ( 0.525 0.000 2.450) 2.505 1.493 ( 1.909 0.000 7.443) 7.684 1.617 ( -1.491 0.000 1.796) 2.334 1.646 ( -0.155 0.000 1.640) 1.648 1.667 ( -0.313 0.000 -1.910) 1.935 1.750 ( -1.449 0.000 -2.225) 2.656 1.986 ( 0.866 0.000 -4.654) 4.734 2.102 ( -1.067 0.000 -1.612) 1.933 2.194 ( 0.874 0.000 3.436) 3.546 2.400 ( 1.176 0.000 -5.148) 5.280 2.609 ( -3.570 0.000 -2.964) 4.640 2.612 ( 0.801 0.000 2.178) 2.321 2.737 ( 0.263 0.000 8.673) 8.677 2.848 ( -0.599 0.000 5.346) 5.379 2.851 ( 2.147 0.000 -5.094) 5.528 3.059 ( 2.822 0.000 0.968) 2.983 3.497 ( -0.248 0.000 -2.328) 2.341 3.509 ( -2.249 0.000 -2.064) 3.053 3.982 ( -1.974 0.000 3.967) 4.431 4.058 ( -1.279 0.000 3.741) 3.954 4.822 ( -3.062 0.000 14.491) 14.811 4.886 ( -4.065 0.000 12.499) 13.143 6.310 ( 4.528 0.000 -17.697) 18.267 6.325 ( 4.967 0.000 -17.291) 17.990 7.082 ( -0.897 0.000 4.596) 4.683 7.128 ( -0.797 0.000 3.769) 3.853 7.203 ( -0.021 0.000 0.080) 0.082 7.218 ( -0.822 0.000 0.627) 1.034 7.752 ( -4.093 0.000 14.696) 15.256 7.773 ( -4.544 0.000 13.933) 14.655 7.970 ( -1.229 0.000 5.708) 5.839 8.010 ( -1.424 0.000 5.602) 5.780 9.452 ( -0.134 0.000 0.487) 0.505 9.484 ( -0.468 0.000 0.656) 0.806 9.786 ( 1.590 0.000 -5.647) 5.866 9.811 ( 2.028 0.000 -5.652) 6.005 11.347 ( -0.524 0.000 -0.331) 0.619 11.382 ( -0.059 0.000 -0.766) 0.769 11.521 ( 1.926 0.000 -6.693) 6.965 11.533 ( 2.469 0.000 -7.071) 7.490 14.465 ( -0.795 0.000 2.719) 2.833 14.480 ( -0.762 0.000 2.798) 2.900 14.642 ( 0.752 0.000 -2.779) 2.879 14.660 ( 0.794 0.000 -2.730) 2.844 18.395 ( -1.573 0.000 6.074) 6.274 18.441 ( -0.239 0.000 5.517) 5.522 18.726 ( 0.294 0.000 -2.656) 2.673 18.811 ( -0.859 0.000 -5.607) 5.672 20.063 ( -4.412 0.000 16.297) 16.884 20.259 ( -9.518 0.000 11.161) 14.669 20.578 ( -1.050 0.000 0.183) 1.066 20.706 ( -1.859 0.000 -1.575) 2.437 22.232 ( -0.530 0.000 0.128) 0.545 22.351 ( 1.482 0.000 -4.091) 4.352 22.471 ( 1.701 0.000 1.737) 2.431 22.517 ( 2.230 0.000 -0.827) 2.379 ======================= Grid point 106 (56/96) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.528 0.000 6.818) 6.838 1.063 ( 6.246 0.000 9.317) 11.217 1.285 ( 0.430 0.000 -1.813) 1.864 1.416 ( -0.110 0.000 6.403) 6.404 1.492 ( -2.356 0.000 3.604) 4.306 1.524 ( -2.068 0.000 2.397) 3.166 1.601 ( -1.016 0.000 -0.104) 1.021 1.678 ( 3.117 0.000 0.475) 3.154 1.706 ( 1.310 0.000 0.581) 1.433 1.739 ( 1.875 0.000 6.367) 6.637 1.985 ( 2.796 0.000 -7.375) 7.887 2.022 ( -5.612 0.000 0.457) 5.631 2.253 ( 2.416 0.000 3.068) 3.905 2.377 ( -0.557 0.000 -5.341) 5.370 2.481 ( -7.220 0.000 -0.893) 7.275 2.629 ( -0.418 0.000 1.432) 1.491 2.772 ( -0.241 0.000 5.629) 5.634 2.861 ( 1.001 0.000 -3.273) 3.423 2.883 ( 1.356 0.000 -0.142) 1.363 3.114 ( 1.328 0.000 2.418) 2.759 3.447 ( -1.604 0.000 -1.566) 2.242 3.506 ( 0.854 0.000 0.355) 0.925 3.970 ( -1.232 0.000 3.507) 3.717 4.058 ( -0.692 0.000 3.991) 4.050 4.840 ( -2.912 0.000 13.835) 14.138 4.871 ( -4.306 0.000 12.923) 13.621 6.304 ( 4.548 0.000 -17.757) 18.331 6.330 ( 4.772 0.000 -16.988) 17.645 7.090 ( -0.851 0.000 4.507) 4.587 7.135 ( -0.626 0.000 3.953) 4.002 7.200 ( -0.398 0.000 -0.061) 0.402 7.209 ( -0.292 0.000 0.889) 0.935 7.747 ( -4.263 0.000 14.539) 15.151 7.755 ( -4.602 0.000 13.592) 14.350 7.973 ( -1.613 0.000 5.943) 6.158 8.007 ( -1.991 0.000 5.682) 6.021 9.453 ( -0.075 0.000 0.510) 0.515 9.476 ( -0.577 0.000 0.528) 0.782 9.790 ( 1.761 0.000 -5.573) 5.845 9.819 ( 1.748 0.000 -5.539) 5.808 11.336 ( -0.355 0.000 -0.262) 0.441 11.375 ( -0.168 0.000 -0.749) 0.768 11.526 ( 2.113 0.000 -6.840) 7.159 11.542 ( 2.160 0.000 -6.988) 7.314 14.463 ( -0.858 0.000 2.699) 2.832 14.479 ( -0.849 0.000 2.790) 2.917 14.642 ( 0.701 0.000 -2.736) 2.824 14.661 ( 0.715 0.000 -2.741) 2.833 18.402 ( -1.096 0.000 6.237) 6.332 18.467 ( -0.323 0.000 5.446) 5.456 18.711 ( -0.093 0.000 -2.919) 2.921 18.754 ( -1.750 0.000 -4.366) 4.704 20.089 ( -2.379 0.000 17.355) 17.518 20.169 ( -6.321 0.000 16.246) 17.432 20.560 ( -0.715 0.000 0.153) 0.731 20.672 ( -0.816 0.000 -0.217) 0.845 22.218 ( -0.772 0.000 0.051) 0.774 22.356 ( 1.162 0.000 -4.072) 4.235 22.479 ( -1.273 0.000 0.298) 1.307 22.541 ( 0.757 0.000 -2.026) 2.163 ======================= Grid point 107 (57/96) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.951 0.000 -5.873) 5.949 1.211 ( 3.462 0.000 4.124) 5.384 1.330 ( 2.709 0.000 1.717) 3.207 1.430 ( -4.036 0.000 1.477) 4.298 1.467 ( 1.574 0.000 6.361) 6.553 1.480 ( -2.009 0.000 0.850) 2.181 1.620 ( 1.197 0.000 2.466) 2.741 1.684 ( 0.229 0.000 -0.103) 0.251 1.706 ( -1.289 0.000 2.353) 2.683 1.862 ( 3.543 0.000 4.087) 5.409 1.900 ( -6.966 0.000 2.552) 7.419 2.057 ( 8.285 0.000 -4.979) 9.666 2.312 ( 0.264 0.000 1.800) 1.820 2.319 ( -2.674 0.000 -3.843) 4.682 2.339 ( -5.654 0.000 4.607) 7.293 2.597 ( -3.124 0.000 -0.557) 3.173 2.799 ( 1.147 0.000 0.886) 1.450 2.854 ( -0.007 0.000 -2.700) 2.700 2.883 ( 0.100 0.000 -4.226) 4.228 3.131 ( -0.930 0.000 2.430) 2.602 3.429 ( 0.220 0.000 -0.037) 0.223 3.540 ( 1.635 0.000 2.305) 2.826 3.971 ( -0.609 0.000 3.662) 3.712 4.070 ( -0.717 0.000 4.720) 4.774 4.849 ( -3.852 0.000 12.703) 13.274 4.861 ( -3.649 0.000 14.201) 14.662 6.301 ( 4.725 0.000 -17.432) 18.061 6.331 ( 4.446 0.000 -16.907) 17.482 7.096 ( -1.025 0.000 4.416) 4.533 7.143 ( -0.799 0.000 3.958) 4.038 7.191 ( -0.433 0.000 0.423) 0.605 7.213 ( 0.161 0.000 0.795) 0.811 7.737 ( -4.335 0.000 13.806) 14.470 7.747 ( -3.587 0.000 13.815) 14.273 7.972 ( -1.767 0.000 6.043) 6.296 7.993 ( -2.383 0.000 5.531) 6.022 9.454 ( -0.206 0.000 0.694) 0.724 9.470 ( -0.249 0.000 0.491) 0.551 9.794 ( 1.600 0.000 -5.540) 5.767 9.821 ( 1.469 0.000 -5.499) 5.692 11.331 ( 0.009 0.000 -0.302) 0.302 11.370 ( 0.128 0.000 -0.593) 0.607 11.529 ( 1.971 0.000 -7.110) 7.378 11.544 ( 1.849 0.000 -6.874) 7.118 14.460 ( -0.816 0.000 2.706) 2.826 14.476 ( -0.881 0.000 2.793) 2.928 14.641 ( 0.687 0.000 -2.711) 2.797 14.659 ( 0.653 0.000 -2.739) 2.816 18.414 ( -1.153 0.000 5.901) 6.012 18.482 ( -1.076 0.000 5.020) 5.134 18.698 ( 0.495 0.000 -2.723) 2.768 18.703 ( -1.087 0.000 -3.108) 3.292 20.127 ( -3.324 0.000 16.948) 17.271 20.201 ( -0.625 0.000 19.229) 19.239 20.554 ( 0.010 0.000 0.587) 0.587 20.676 ( 0.653 0.000 2.165) 2.261 22.205 ( -0.557 0.000 0.150) 0.577 22.354 ( 0.890 0.000 -4.087) 4.182 22.433 ( -2.955 0.000 -0.629) 3.021 22.524 ( -0.742 0.000 -3.909) 3.979 ======================= Grid point 108 (58/96) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 1.077 0.000 -7.471) 7.548 1.214 ( -3.680 0.000 -2.525) 4.463 1.299 ( -4.766 0.000 -0.861) 4.843 1.373 ( -2.014 0.000 1.037) 2.265 1.492 ( -2.136 0.000 1.060) 2.385 1.533 ( 4.637 0.000 2.387) 5.216 1.649 ( 0.366 0.000 4.720) 4.735 1.712 ( 1.846 0.000 1.832) 2.601 1.756 ( 1.452 0.000 2.964) 3.300 1.792 ( -3.072 0.000 9.963) 10.425 1.926 ( 3.349 0.000 -2.950) 4.463 2.185 ( -0.112 0.000 -2.129) 2.132 2.210 ( -6.072 0.000 3.048) 6.794 2.256 ( 2.074 0.000 -0.046) 2.074 2.386 ( 1.938 0.000 5.900) 6.210 2.507 ( -3.891 0.000 -3.362) 5.142 2.799 ( -0.529 0.000 -5.839) 5.863 2.837 ( 0.191 0.000 -3.636) 3.641 2.880 ( 1.706 0.000 -0.346) 1.740 3.107 ( -2.270 0.000 1.044) 2.498 3.448 ( 1.455 0.000 -0.117) 1.460 3.586 ( 1.261 0.000 2.763) 3.037 3.983 ( -0.410 0.000 4.404) 4.423 4.074 ( -1.810 0.000 5.955) 6.224 4.833 ( -4.665 0.000 13.754) 14.523 4.870 ( -3.137 0.000 13.468) 13.829 6.303 ( 4.827 0.000 -17.149) 17.816 6.326 ( 4.319 0.000 -16.934) 17.477 7.096 ( -1.303 0.000 4.358) 4.549 7.144 ( -1.171 0.000 3.792) 3.969 7.189 ( -0.107 0.000 0.720) 0.727 7.222 ( 0.248 0.000 0.867) 0.901 7.730 ( -3.709 0.000 13.639) 14.134 7.757 ( -2.854 0.000 13.552) 13.849 7.969 ( -1.905 0.000 6.004) 6.299 7.976 ( -1.936 0.000 5.209) 5.557 9.451 ( -0.361 0.000 0.688) 0.777 9.474 ( 0.266 0.000 0.768) 0.813 9.792 ( 1.246 0.000 -5.641) 5.777 9.820 ( 1.388 0.000 -5.504) 5.677 11.333 ( 0.416 0.000 -0.382) 0.565 11.374 ( 0.499 0.000 -0.451) 0.673 11.526 ( 1.679 0.000 -7.443) 7.630 11.542 ( 1.646 0.000 -6.685) 6.885 14.460 ( -0.715 0.000 2.720) 2.812 14.474 ( -0.825 0.000 2.814) 2.933 14.640 ( 0.721 0.000 -2.723) 2.817 14.657 ( 0.656 0.000 -2.726) 2.804 18.418 ( -1.468 0.000 5.345) 5.543 18.477 ( -2.012 0.000 4.545) 4.971 18.675 ( -0.056 0.000 -2.097) 2.098 18.710 ( 2.078 0.000 -2.573) 3.307 20.153 ( -3.420 0.000 16.588) 16.937 20.313 ( 1.034 0.000 18.384) 18.413 20.567 ( 0.632 0.000 1.375) 1.513 20.714 ( 1.348 0.000 3.638) 3.880 22.202 ( 0.250 0.000 0.630) 0.678 22.350 ( 0.965 0.000 -3.819) 3.939 22.363 ( -3.245 0.000 -1.065) 3.415 22.475 ( -1.307 0.000 -5.448) 5.602 ======================= Grid point 109 (59/96) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.670 0.000 -1.973) 2.084 1.065 ( -8.032 0.000 -3.789) 8.881 1.212 ( -2.827 0.000 0.703) 2.913 1.364 ( 0.522 0.000 0.964) 1.096 1.442 ( -2.756 0.000 1.314) 3.053 1.613 ( 1.464 0.000 1.435) 2.050 1.657 ( -2.407 0.000 2.652) 3.581 1.716 ( -1.479 0.000 5.324) 5.526 1.749 ( -0.160 0.000 3.079) 3.083 1.946 ( 6.371 0.000 9.373) 11.333 1.961 ( 1.096 0.000 -7.294) 7.376 2.093 ( -4.124 0.000 1.881) 4.532 2.119 ( -4.301 0.000 2.348) 4.900 2.280 ( -2.748 0.000 2.244) 3.548 2.464 ( 2.174 0.000 7.241) 7.560 2.486 ( 4.852 0.000 -6.352) 7.993 2.739 ( -1.523 0.000 -6.237) 6.420 2.825 ( 1.203 0.000 -5.694) 5.820 2.919 ( 0.993 0.000 1.844) 2.095 3.059 ( -2.200 0.000 -1.100) 2.460 3.478 ( 1.685 0.000 -1.078) 2.000 3.614 ( 0.213 0.000 1.723) 1.736 4.002 ( -0.554 0.000 5.589) 5.616 4.064 ( -2.431 0.000 6.482) 6.923 4.815 ( -4.792 0.000 14.802) 15.558 4.881 ( -2.940 0.000 12.856) 13.188 6.307 ( 4.765 0.000 -17.068) 17.721 6.322 ( 4.542 0.000 -17.070) 17.664 7.091 ( -1.572 0.000 4.362) 4.636 7.138 ( -1.365 0.000 3.602) 3.852 7.193 ( 0.093 0.000 0.780) 0.785 7.231 ( 0.115 0.000 0.857) 0.865 7.735 ( -3.360 0.000 13.760) 14.165 7.775 ( -2.813 0.000 13.368) 13.661 7.958 ( -1.872 0.000 5.227) 5.552 7.979 ( -1.013 0.000 5.567) 5.658 9.450 ( -0.148 0.000 0.767) 0.781 9.484 ( 0.164 0.000 0.811) 0.827 9.785 ( 1.286 0.000 -5.707) 5.850 9.816 ( 1.223 0.000 -5.659) 5.790 11.343 ( 0.706 0.000 -0.369) 0.796 11.382 ( 0.482 0.000 -0.505) 0.698 11.518 ( 1.684 0.000 -7.489) 7.676 11.537 ( 1.468 0.000 -6.661) 6.821 14.461 ( -0.648 0.000 2.735) 2.811 14.474 ( -0.713 0.000 2.831) 2.919 14.640 ( 0.776 0.000 -2.764) 2.871 14.656 ( 0.722 0.000 -2.711) 2.805 18.415 ( -1.574 0.000 4.993) 5.235 18.454 ( -2.616 0.000 4.435) 5.149 18.677 ( 1.131 0.000 -1.448) 1.837 18.753 ( 3.586 0.000 -3.107) 4.745 20.161 ( -4.687 0.000 15.448) 16.143 20.425 ( 0.429 0.000 14.899) 14.905 20.589 ( 0.534 0.000 1.704) 1.785 20.758 ( 0.827 0.000 3.204) 3.309 22.227 ( 1.625 0.000 1.827) 2.445 22.298 ( -2.526 0.000 -0.771) 2.641 22.351 ( 1.043 0.000 -3.527) 3.677 22.426 ( -0.175 0.000 -5.351) 5.354 ======================= Grid point 110 (60/96) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -6.504 0.000 -0.119) 6.505 0.999 ( -2.382 0.000 9.238) 9.540 1.197 ( 0.407 0.000 1.434) 1.491 1.394 ( -0.247 0.000 3.818) 3.826 1.406 ( -0.068 0.000 0.731) 0.735 1.583 ( -5.383 0.000 2.770) 6.054 1.625 ( -2.041 0.000 3.764) 4.282 1.723 ( -0.215 0.000 1.222) 1.240 1.736 ( -3.013 0.000 3.944) 4.963 1.882 ( -2.805 0.000 -6.424) 7.010 2.037 ( -2.999 0.000 -0.340) 3.018 2.069 ( -1.152 0.000 0.702) 1.349 2.104 ( 4.336 0.000 6.687) 7.970 2.299 ( 4.003 0.000 0.523) 4.037 2.548 ( 3.262 0.000 -3.703) 4.934 2.553 ( 2.278 0.000 8.741) 9.033 2.684 ( -1.019 0.000 -3.700) 3.838 2.824 ( 2.209 0.000 -7.432) 7.753 2.924 ( -2.034 0.000 3.189) 3.782 3.016 ( -0.794 0.000 -2.427) 2.554 3.499 ( 1.153 0.000 -1.883) 2.208 3.611 ( -0.923 0.000 -0.242) 0.954 4.015 ( -1.760 0.000 6.570) 6.801 4.056 ( -1.269 0.000 4.929) 5.090 4.804 ( -4.372 0.000 15.391) 15.999 4.891 ( -2.983 0.000 12.542) 12.892 6.309 ( 4.740 0.000 -17.083) 17.728 6.322 ( 4.789 0.000 -17.384) 18.031 7.083 ( -1.588 0.000 4.444) 4.719 7.131 ( -1.273 0.000 3.517) 3.740 7.199 ( 0.074 0.000 0.591) 0.596 7.235 ( -0.226 0.000 0.747) 0.781 7.743 ( -3.429 0.000 14.191) 14.600 7.786 ( -3.493 0.000 13.591) 14.033 7.955 ( -1.258 0.000 5.178) 5.328 7.991 ( -0.798 0.000 5.443) 5.501 9.452 ( -0.108 0.000 0.759) 0.767 9.488 ( -0.125 0.000 0.731) 0.741 9.783 ( 1.601 0.000 -5.639) 5.862 9.808 ( 1.193 0.000 -5.879) 5.999 11.355 ( 0.515 0.000 -0.344) 0.619 11.386 ( 0.228 0.000 -0.650) 0.689 11.515 ( 2.010 0.000 -7.255) 7.528 11.530 ( 1.480 0.000 -6.765) 6.925 14.463 ( -0.648 0.000 2.753) 2.829 14.476 ( -0.637 0.000 2.822) 2.893 14.641 ( 0.809 0.000 -2.803) 2.917 14.657 ( 0.801 0.000 -2.705) 2.821 18.413 ( -1.296 0.000 5.028) 5.192 18.425 ( -2.695 0.000 4.813) 5.517 18.700 ( 1.728 0.000 -1.400) 2.224 18.809 ( 3.634 0.000 -4.496) 5.781 20.132 ( -6.104 0.000 14.647) 15.868 20.470 ( -3.045 0.000 9.357) 9.840 20.602 ( -0.163 0.000 1.293) 1.303 20.774 ( -0.502 0.000 1.181) 1.284 22.256 ( -1.199 0.000 -0.191) 1.214 22.294 ( 3.379 0.000 3.582) 4.924 22.347 ( 0.797 0.000 -4.400) 4.471 22.425 ( 2.132 0.000 -2.659) 3.408 ======================= Grid point 111 (61/96) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -1.295 0.000 5.326) 5.481 1.006 ( -5.133 0.000 18.329) 19.034 1.243 ( 3.151 0.000 2.064) 3.767 1.385 ( -2.078 0.000 7.541) 7.822 1.451 ( 2.378 0.000 -0.252) 2.391 1.484 ( -4.379 0.000 3.630) 5.688 1.617 ( -0.595 0.000 3.853) 3.899 1.673 ( -4.535 0.000 3.054) 5.468 1.711 ( -1.026 0.000 -1.783) 2.057 1.805 ( -1.989 0.000 -4.746) 5.146 1.997 ( -0.314 0.000 -2.075) 2.099 2.081 ( 2.031 0.000 -0.664) 2.137 2.180 ( 0.387 0.000 3.590) 3.611 2.378 ( 3.410 0.000 -2.810) 4.419 2.582 ( 1.391 0.000 0.233) 1.410 2.641 ( 0.015 0.000 8.052) 8.052 2.668 ( 2.041 0.000 -0.858) 2.214 2.834 ( 2.758 0.000 -7.182) 7.694 2.878 ( -4.327 0.000 5.354) 6.884 3.011 ( 1.498 0.000 -1.325) 2.000 3.504 ( 0.476 0.000 -2.179) 2.231 3.573 ( -2.157 0.000 -2.171) 3.060 4.002 ( -2.421 0.000 5.291) 5.819 4.061 ( -0.955 0.000 3.930) 4.045 4.808 ( -3.637 0.000 15.157) 15.587 4.895 ( -3.478 0.000 12.428) 12.906 6.311 ( 4.798 0.000 -17.151) 17.810 6.323 ( 4.806 0.000 -17.702) 18.343 7.078 ( -1.245 0.000 4.568) 4.734 7.127 ( -1.069 0.000 3.575) 3.731 7.202 ( -0.019 0.000 0.311) 0.312 7.230 ( -0.609 0.000 0.617) 0.867 7.750 ( -3.711 0.000 14.613) 15.077 7.784 ( -4.153 0.000 13.996) 14.600 7.962 ( -1.007 0.000 5.400) 5.493 8.004 ( -0.969 0.000 5.451) 5.537 9.453 ( -0.189 0.000 0.622) 0.650 9.488 ( -0.292 0.000 0.713) 0.771 9.786 ( 1.586 0.000 -5.574) 5.795 9.804 ( 1.709 0.000 -5.904) 6.146 11.357 ( -0.134 0.000 -0.344) 0.369 11.385 ( 0.100 0.000 -0.747) 0.753 11.519 ( 2.105 0.000 -6.678) 7.002 11.525 ( 1.961 0.000 -7.166) 7.429 14.465 ( -0.699 0.000 2.751) 2.839 14.479 ( -0.667 0.000 2.805) 2.884 14.642 ( 0.799 0.000 -2.809) 2.921 14.659 ( 0.833 0.000 -2.714) 2.839 18.402 ( -2.277 0.000 5.497) 5.950 18.421 ( -0.722 0.000 5.283) 5.332 18.723 ( 1.266 0.000 -1.964) 2.337 18.836 ( 1.626 0.000 -5.725) 5.951 20.086 ( -6.132 0.000 14.977) 16.184 20.398 ( -8.128 0.000 7.130) 10.811 20.596 ( -0.848 0.000 0.601) 1.039 20.752 ( -1.681 0.000 -0.918) 1.915 22.240 ( -0.481 0.000 0.169) 0.510 22.344 ( 1.361 0.000 -4.343) 4.551 22.395 ( 4.031 0.000 3.487) 5.330 22.468 ( 2.842 0.000 -0.952) 2.998 ======================= Grid point 112 (62/96) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 4.270 5.594 7.001) 9.926 1.058 ( -4.368 5.065 15.819) 17.175 1.269 ( 1.450 -3.711 2.551) 4.731 1.323 ( 0.307 -5.444 3.345) 6.397 1.446 ( -0.970 -2.597 4.169) 5.006 1.477 ( 1.729 -1.476 2.430) 3.327 1.604 ( -0.824 -0.074 1.706) 1.896 1.634 ( -1.136 -0.770 1.289) 1.883 1.719 ( -1.392 3.762 -0.285) 4.021 1.811 ( 0.119 3.424 -1.776) 3.859 1.946 ( 0.122 -2.094 -1.729) 2.718 2.075 ( 1.258 -2.996 -1.077) 3.423 2.224 ( -1.796 3.023 3.200) 4.754 2.373 ( -0.298 -2.406 -2.936) 3.808 2.632 ( 1.009 1.494 0.137) 1.808 2.650 ( -2.929 2.974 -2.430) 4.830 2.719 ( 0.964 -1.032 8.216) 8.336 2.817 ( -0.182 -2.311 2.172) 3.177 2.896 ( 1.853 3.155 -2.575) 4.474 3.035 ( 2.670 -2.146 0.379) 3.446 3.502 ( -0.274 0.391 -2.232) 2.282 3.510 ( -1.977 0.091 -2.209) 2.965 3.993 ( -1.810 0.967 4.116) 4.599 4.046 ( -1.303 -1.005 3.925) 4.256 4.829 ( -3.166 0.629 14.245) 14.606 4.873 ( -3.861 -1.092 12.887) 13.498 6.314 ( 4.603 0.296 -17.770) 18.359 6.325 ( 4.916 -0.090 -17.488) 18.166 7.082 ( -0.916 0.110 4.302) 4.399 7.113 ( -0.864 -1.121 3.656) 3.920 7.212 ( -0.167 0.707 0.448) 0.853 7.224 ( -0.683 0.343 0.714) 1.046 7.755 ( -4.180 0.253 14.601) 15.190 7.769 ( -4.502 -0.284 14.064) 14.770 7.977 ( -1.266 0.570 5.664) 5.831 8.005 ( -1.399 -0.483 5.598) 5.790 9.456 ( -0.201 0.333 0.542) 0.667 9.478 ( -0.429 -0.490 0.646) 0.917 9.791 ( 1.632 0.389 -5.644) 5.888 9.808 ( 1.939 -0.264 -5.645) 5.974 11.352 ( -0.451 0.423 -0.387) 0.730 11.376 ( -0.124 -0.483 -0.696) 0.856 11.524 ( 2.020 0.214 -6.772) 7.070 11.532 ( 2.402 -0.095 -7.049) 7.448 14.467 ( -0.790 0.175 2.728) 2.845 14.477 ( -0.765 -0.223 2.782) 2.894 14.645 ( 0.757 0.254 -2.765) 2.878 14.658 ( 0.788 -0.228 -2.733) 2.853 18.402 ( -1.357 0.663 5.989) 6.177 18.435 ( -0.408 -0.558 5.595) 5.637 18.737 ( 0.112 1.050 -2.949) 3.132 18.798 ( -0.708 -1.181 -5.024) 5.209 20.083 ( -4.997 1.847 16.180) 17.034 20.217 ( -8.443 -3.400 12.935) 15.816 20.605 ( -1.324 2.204 -0.511) 2.621 20.694 ( -1.766 -1.204 -1.591) 2.664 22.246 ( -0.267 1.381 0.071) 1.409 22.333 ( 1.162 -1.683 -2.615) 3.320 22.471 ( 1.776 0.237 0.716) 1.930 22.507 ( 2.142 -0.889 -0.885) 2.482 ======================= Grid point 113 (63/96) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.267 3.332 8.136) 8.796 1.118 ( 5.512 4.210 5.173) 8.652 1.286 ( 1.035 -0.699 -0.273) 1.278 1.371 ( 0.771 -4.997 6.226) 8.020 1.438 ( -2.497 -2.007 4.489) 5.515 1.505 ( -1.456 -2.353 0.950) 2.926 1.589 ( -1.164 -0.569 0.182) 1.308 1.627 ( 1.077 -2.580 0.210) 2.803 1.744 ( 3.181 3.251 2.058) 4.993 1.829 ( 2.180 4.239 1.193) 4.913 1.948 ( 1.012 -1.281 -2.767) 3.213 2.050 ( -2.761 0.875 -1.068) 3.087 2.228 ( -0.375 -1.198 5.429) 5.572 2.332 ( -2.347 -3.266 -1.963) 4.475 2.543 ( -4.892 4.363 -3.434) 7.400 2.640 ( -0.896 0.446 0.549) 1.141 2.765 ( 0.374 -0.372 4.658) 4.687 2.830 ( 0.937 -2.638 -2.451) 3.721 2.925 ( 1.373 3.571 -0.432) 3.851 3.086 ( 1.422 -2.523 1.640) 3.328 3.459 ( -1.378 1.021 -1.222) 2.106 3.500 ( 0.363 -0.541 0.085) 0.657 3.985 ( -1.014 1.330 3.581) 3.953 4.047 ( -0.656 -0.986 3.901) 4.077 4.843 ( -3.075 0.290 13.756) 14.098 4.865 ( -4.045 -0.532 13.128) 13.747 6.309 ( 4.590 0.411 -17.746) 18.335 6.328 ( 4.746 -0.276 -17.212) 17.857 7.088 ( -0.826 -0.017 4.204) 4.284 7.117 ( -0.710 -1.246 3.658) 3.929 7.211 ( -0.261 0.698 0.469) 0.881 7.217 ( -0.431 0.510 1.037) 1.233 7.748 ( -4.332 0.060 14.432) 15.069 7.753 ( -4.570 -0.135 13.766) 14.505 7.979 ( -1.664 0.474 5.895) 6.144 8.002 ( -1.928 -0.400 5.712) 6.042 9.455 ( -0.167 0.212 0.550) 0.613 9.472 ( -0.520 -0.394 0.549) 0.853 9.795 ( 1.766 0.438 -5.565) 5.855 9.815 ( 1.754 -0.340 -5.541) 5.822 11.341 ( -0.333 0.477 -0.341) 0.674 11.369 ( -0.201 -0.541 -0.689) 0.899 11.529 ( 2.123 0.279 -6.867) 7.193 11.540 ( 2.156 -0.151 -6.980) 7.307 14.465 ( -0.854 0.188 2.709) 2.846 14.476 ( -0.847 -0.234 2.771) 2.907 14.645 ( 0.702 0.265 -2.730) 2.831 14.658 ( 0.712 -0.236 -2.735) 2.836 18.413 ( -0.980 0.916 6.112) 6.258 18.459 ( -0.431 -0.771 5.550) 5.619 18.717 ( -0.323 0.546 -3.062) 3.127 18.747 ( -1.494 -0.585 -4.080) 4.384 20.097 ( -2.839 0.779 17.449) 17.696 20.153 ( -5.552 -1.335 16.745) 17.692 20.581 ( -0.819 1.764 -0.093) 1.947 20.659 ( -0.865 -1.163 -0.334) 1.487 22.237 ( -0.609 1.712 -0.099) 1.819 22.337 ( 0.635 -1.809 -2.773) 3.371 22.482 ( -0.661 0.436 -0.612) 1.001 22.528 ( 0.636 -1.107 -2.045) 2.411 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.517 2.839 -3.159) 4.279 1.223 ( 2.617 0.520 1.641) 3.133 1.329 ( 0.583 -0.725 -1.277) 1.580 1.388 ( -1.025 -5.749 2.595) 6.390 1.416 ( -4.084 -1.355 2.465) 4.959 1.444 ( 0.096 -1.135 5.018) 5.146 1.614 ( 2.441 -0.165 3.190) 4.020 1.659 ( 1.495 -0.724 1.614) 2.316 1.802 ( 0.631 4.104 1.267) 4.342 1.904 ( 1.331 3.991 2.395) 4.842 1.926 ( -2.769 1.654 2.350) 3.990 2.041 ( 5.916 -0.789 -3.643) 6.992 2.235 ( -3.054 -3.967 4.537) 6.756 2.273 ( -1.965 -3.232 1.698) 4.146 2.435 ( -3.979 5.384 -2.240) 7.059 2.597 ( -3.137 -0.754 -1.405) 3.519 2.791 ( 0.854 -0.426 -0.236) 0.983 2.826 ( 0.939 -1.907 -4.229) 4.733 2.934 ( -0.147 3.915 -0.845) 4.007 3.102 ( -0.692 -2.622 1.524) 3.111 3.445 ( 0.143 1.400 0.483) 1.488 3.522 ( 1.127 -1.539 2.078) 2.821 3.990 ( -0.502 1.629 3.718) 4.090 4.059 ( -0.621 -0.984 4.475) 4.624 4.850 ( -3.828 0.087 12.976) 13.530 4.858 ( -3.693 -0.221 14.043) 14.522 6.306 ( 4.701 0.433 -17.425) 18.053 6.327 ( 4.500 -0.337 -17.058) 17.644 7.094 ( -0.929 -0.057 4.087) 4.192 7.123 ( -0.750 -1.344 3.489) 3.814 7.207 ( -0.418 0.961 1.024) 1.465 7.219 ( -0.011 0.369 1.074) 1.135 7.737 ( -4.238 0.087 13.829) 14.464 7.745 ( -3.709 -0.183 13.831) 14.321 7.975 ( -1.844 0.330 5.973) 6.259 7.991 ( -2.280 -0.227 5.608) 6.058 9.455 ( -0.217 0.093 0.670) 0.711 9.466 ( -0.259 -0.307 0.516) 0.654 9.799 ( 1.597 0.431 -5.513) 5.755 9.818 ( 1.505 -0.284 -5.486) 5.696 11.336 ( 0.016 0.460 -0.365) 0.587 11.364 ( 0.101 -0.564 -0.580) 0.815 11.532 ( 1.953 0.262 -7.055) 7.325 11.543 ( 1.867 -0.128 -6.902) 7.151 14.462 ( -0.822 0.190 2.714) 2.843 14.474 ( -0.868 -0.231 2.774) 2.916 14.644 ( 0.680 0.261 -2.709) 2.805 14.657 ( 0.657 -0.232 -2.731) 2.818 18.425 ( -1.157 0.948 5.740) 5.932 18.473 ( -1.109 -0.845 5.107) 5.294 18.699 ( 0.273 0.083 -2.727) 2.742 18.702 ( -0.843 -0.035 -2.991) 3.108 20.137 ( -2.926 0.858 17.363) 17.629 20.188 ( -1.026 -1.059 18.959) 19.016 20.574 ( 0.071 1.759 0.745) 1.911 20.660 ( 0.526 -1.420 1.857) 2.396 22.224 ( -0.556 1.765 -0.061) 1.852 22.329 ( 0.060 -2.144 -2.507) 3.300 22.446 ( -1.939 1.142 -2.022) 3.025 22.510 ( -0.787 -1.262 -3.796) 4.077 ======================= Grid point 115 (65/96) ======================= q-point: (-0.57 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.042 2.271 -6.167) 6.572 1.218 ( -5.978 -0.493 -1.610) 6.211 1.251 ( -2.103 -3.191 -2.005) 4.316 1.337 ( -1.192 -3.180 -0.460) 3.428 1.448 ( 0.057 -1.379 1.953) 2.392 1.482 ( 1.294 -2.791 3.672) 4.790 1.699 ( 2.055 0.184 3.540) 4.097 1.710 ( 2.418 1.509 4.426) 5.264 1.804 ( -2.087 2.750 7.278) 8.055 1.848 ( -1.775 4.347 1.309) 4.875 1.974 ( 3.563 4.409 -0.885) 5.737 2.126 ( -2.113 -2.410 -0.629) 3.266 2.219 ( 3.311 -2.005 1.450) 4.134 2.249 ( -2.571 -2.459 2.640) 4.430 2.376 ( -0.904 2.152 1.585) 2.822 2.511 ( -3.417 -0.845 -2.641) 4.400 2.779 ( -0.082 -0.077 -5.304) 5.305 2.847 ( 2.230 -1.576 -1.533) 3.131 2.917 ( -0.471 4.124 -2.104) 4.653 3.079 ( -1.909 -2.466 0.264) 3.129 3.463 ( 1.166 1.436 0.601) 1.945 3.560 ( 1.070 -2.214 2.602) 3.580 4.002 ( -0.607 1.577 4.543) 4.847 4.065 ( -1.604 -0.846 5.652) 5.936 4.837 ( -4.483 0.398 13.761) 14.478 4.863 ( -3.410 -0.581 13.559) 13.993 6.307 ( 4.783 0.355 -17.167) 17.824 6.323 ( 4.419 -0.243 -17.014) 17.580 7.095 ( -1.141 0.003 4.030) 4.188 7.125 ( -0.916 -1.301 3.352) 3.710 7.206 ( -0.318 1.080 1.300) 1.720 7.226 ( 0.063 0.187 1.124) 1.142 7.734 ( -3.593 0.291 13.624) 14.093 7.753 ( -2.989 -0.415 13.563) 13.894 7.971 ( -1.897 0.155 5.897) 6.197 7.976 ( -1.922 -0.008 5.335) 5.671 9.453 ( -0.260 0.190 0.680) 0.753 9.469 ( 0.184 -0.418 0.728) 0.859 9.797 ( 1.272 0.471 -5.584) 5.747 9.817 ( 1.375 -0.265 -5.494) 5.670 11.338 ( 0.422 0.461 -0.412) 0.749 11.367 ( 0.484 -0.610 -0.477) 0.913 11.529 ( 1.668 0.289 -7.298) 7.491 11.541 ( 1.649 -0.143 -6.782) 6.981 14.462 ( -0.730 0.174 2.730) 2.832 14.472 ( -0.807 -0.211 2.796) 2.917 14.643 ( 0.709 0.245 -2.718) 2.820 14.655 ( 0.664 -0.218 -2.722) 2.810 18.427 ( -1.562 0.776 5.177) 5.463 18.468 ( -1.951 -0.773 4.591) 5.048 18.681 ( 0.242 0.507 -2.071) 2.146 18.705 ( 1.743 -0.406 -2.423) 3.012 20.174 ( -2.942 1.885 16.878) 17.235 20.286 ( 0.124 -2.342 18.093) 18.244 20.591 ( 0.838 2.102 1.737) 2.853 20.695 ( 1.280 -1.776 3.279) 3.942 22.219 ( 0.071 1.494 0.403) 1.550 22.312 ( -0.659 -2.281 -1.444) 2.779 22.394 ( -1.384 1.678 -3.405) 4.040 22.462 ( -1.247 -1.169 -5.203) 5.477 ======================= Grid point 116 (66/96) ======================= q-point: (-0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.459 1.046 -1.077) 2.094 1.066 ( -6.715 -0.016 -1.937) 6.989 1.202 ( -1.490 -0.357 -1.526) 2.163 1.326 ( 0.399 -4.065 -1.091) 4.228 1.427 ( -2.418 -0.231 2.415) 3.425 1.512 ( -0.679 -4.168 2.346) 4.831 1.731 ( -0.412 1.369 3.541) 3.819 1.743 ( -1.181 2.976 4.022) 5.141 1.808 ( -0.103 3.225 2.405) 4.025 1.887 ( 1.409 0.068 3.691) 3.951 2.012 ( -2.986 -2.881 1.894) 4.561 2.076 ( 1.859 3.620 -1.507) 4.340 2.158 ( -5.379 0.702 3.953) 6.713 2.273 ( -0.252 -0.100 1.298) 1.326 2.433 ( 4.477 -1.394 1.517) 4.928 2.484 ( 2.232 -1.179 -1.627) 3.004 2.745 ( -0.548 1.642 -4.471) 4.794 2.869 ( 0.894 0.360 -4.013) 4.127 2.907 ( 0.549 1.140 -0.656) 1.425 3.036 ( -1.808 -2.092 -1.723) 3.258 3.491 ( 1.357 1.259 -0.407) 1.896 3.587 ( 0.423 -2.285 1.550) 2.794 4.015 ( -1.011 1.090 5.809) 5.996 4.058 ( -2.270 -0.573 6.406) 6.821 4.823 ( -4.558 0.720 14.513) 15.229 4.869 ( -3.267 -1.020 13.143) 13.581 6.310 ( 4.773 0.287 -17.120) 17.775 6.321 ( 4.610 -0.115 -17.117) 17.727 7.092 ( -1.395 0.138 4.059) 4.294 7.122 ( -1.113 -1.152 3.328) 3.693 7.208 ( -0.174 1.034 1.220) 1.609 7.233 ( 0.002 0.029 1.045) 1.046 7.740 ( -3.268 0.466 13.696) 14.088 7.769 ( -2.884 -0.598 13.424) 13.744 7.962 ( -1.740 0.363 5.278) 5.570 7.977 ( -1.133 -0.186 5.513) 5.632 9.454 ( -0.080 0.344 0.741) 0.821 9.477 ( 0.145 -0.543 0.763) 0.948 9.792 ( 1.272 0.518 -5.654) 5.819 9.813 ( 1.230 -0.278 -5.629) 5.768 11.348 ( 0.675 0.428 -0.401) 0.894 11.375 ( 0.525 -0.596 -0.513) 0.946 11.522 ( 1.635 0.318 -7.339) 7.526 11.535 ( 1.493 -0.177 -6.774) 6.939 14.463 ( -0.657 0.157 2.747) 2.829 14.472 ( -0.703 -0.193 2.814) 2.907 14.642 ( 0.766 0.228 -2.751) 2.865 14.654 ( 0.728 -0.204 -2.716) 2.819 18.421 ( -1.724 0.485 4.867) 5.187 18.448 ( -2.450 -0.543 4.457) 5.115 18.689 ( 1.421 1.030 -1.563) 2.350 18.742 ( 3.162 -0.971 -2.743) 4.297 20.191 ( -4.325 2.817 15.576) 16.409 20.373 ( -1.034 -4.205 15.087) 15.697 20.621 ( 0.957 2.580 2.022) 3.415 20.737 ( 0.908 -1.927 2.926) 3.619 22.235 ( 1.151 0.803 1.496) 2.051 22.285 ( -1.497 -1.094 -0.287) 1.876 22.364 ( 0.468 1.074 -3.899) 4.071 22.416 ( -0.109 -0.912 -5.142) 5.223 ======================= Grid point 117 (67/96) ======================= q-point: (-0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.279 3.122 1.502) 6.315 1.017 ( -0.998 1.086 5.846) 6.030 1.195 ( 0.742 -0.011 1.287) 1.485 1.335 ( 0.190 -6.207 -0.285) 6.216 1.396 ( -1.698 0.451 4.139) 4.497 1.489 ( -2.468 -3.749 2.521) 5.147 1.703 ( -4.747 2.068 4.324) 6.746 1.726 ( -2.728 0.985 2.359) 3.739 1.800 ( -1.683 4.647 1.111) 5.066 1.868 ( -2.091 0.417 -0.908) 2.318 1.991 ( 0.593 -3.486 -1.379) 3.796 2.033 ( -4.009 -3.684 2.444) 5.968 2.181 ( 3.071 5.581 3.525) 7.281 2.312 ( 3.135 0.531 1.127) 3.373 2.528 ( 3.729 -1.441 2.745) 4.850 2.542 ( 3.156 -0.982 0.099) 3.306 2.711 ( -0.988 2.973 -1.799) 3.613 2.855 ( 0.591 0.681 -5.259) 5.335 2.908 ( -0.773 -0.177 0.332) 0.860 2.998 ( -0.418 -1.686 -2.888) 3.370 3.509 ( 0.960 1.057 -1.536) 2.098 3.591 ( -0.405 -1.790 -0.440) 1.887 4.021 ( -1.932 0.568 6.633) 6.932 4.050 ( -1.563 -0.495 5.445) 5.686 4.814 ( -4.198 0.921 14.922) 15.529 4.875 ( -3.250 -1.375 12.950) 13.422 6.312 ( 4.787 0.298 -17.213) 17.868 6.322 ( 4.821 -0.063 -17.419) 18.074 7.085 ( -1.473 0.252 4.158) 4.419 7.117 ( -1.183 -1.053 3.389) 3.740 7.211 ( -0.120 0.926 0.923) 1.313 7.236 ( -0.205 0.008 0.852) 0.876 7.749 ( -3.408 0.527 14.100) 14.516 7.779 ( -3.455 -0.592 13.682) 14.124 7.961 ( -1.188 0.567 5.191) 5.356 7.987 ( -0.868 -0.390 5.378) 5.462 9.456 ( -0.091 0.396 0.717) 0.824 9.482 ( -0.096 -0.552 0.689) 0.888 9.789 ( 1.524 0.447 -5.627) 5.847 9.806 ( 1.238 -0.198 -5.801) 5.935 11.358 ( 0.485 0.343 -0.386) 0.709 11.381 ( 0.289 -0.488 -0.611) 0.834 11.518 ( 1.920 0.253 -7.179) 7.435 11.528 ( 1.554 -0.139 -6.845) 7.021 14.465 ( -0.647 0.156 2.761) 2.840 14.474 ( -0.640 -0.194 2.810) 2.889 14.643 ( 0.807 0.225 -2.784) 2.907 14.655 ( 0.801 -0.202 -2.716) 2.839 18.414 ( -1.484 0.134 4.974) 5.192 18.423 ( -2.458 -0.175 4.814) 5.408 18.716 ( 1.915 1.397 -1.689) 2.911 18.792 ( 3.272 -1.459 -3.873) 5.276 20.168 ( -6.067 3.263 14.562) 16.109 20.394 ( -4.215 -5.754 11.203) 13.281 20.643 ( 0.113 2.849 0.945) 3.004 20.755 ( -0.289 -1.769 1.021) 2.063 22.257 ( -0.815 0.201 0.059) 0.841 22.282 ( 1.981 -0.867 2.116) 3.025 22.363 ( 1.598 1.250 -3.286) 3.862 22.415 ( 2.143 -0.834 -2.675) 3.528 ======================= Grid point 118 (68/96) ======================= q-point: (-0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.444 5.187 4.742) 7.042 1.049 ( -2.379 2.857 14.811) 15.271 1.226 ( 0.669 -1.353 3.272) 3.604 1.316 ( -1.488 -5.400 3.016) 6.362 1.426 ( 2.273 -1.559 1.253) 3.028 1.455 ( -2.188 -2.498 3.538) 4.853 1.630 ( -3.720 0.714 4.300) 5.730 1.665 ( -3.294 -0.187 1.515) 3.631 1.763 ( -2.177 3.734 -0.065) 4.323 1.832 ( -0.839 2.467 -2.394) 3.539 1.964 ( -1.560 -2.458 0.369) 2.934 2.037 ( 2.377 -3.580 -1.263) 4.479 2.234 ( 0.137 4.172 2.315) 4.773 2.370 ( 1.990 -1.057 -1.416) 2.662 2.591 ( 2.576 0.595 -0.096) 2.645 2.632 ( 3.031 -1.405 7.314) 8.041 2.689 ( -0.639 3.062 -0.845) 3.240 2.834 ( -1.472 -1.695 0.154) 2.250 2.889 ( 0.137 2.109 -2.673) 3.408 2.994 ( 1.437 -1.613 -1.776) 2.797 3.512 ( 0.355 0.816 -2.193) 2.367 3.564 ( -1.544 -0.890 -2.269) 2.885 4.010 ( -2.310 0.660 5.430) 5.938 4.051 ( -1.280 -0.872 4.462) 4.723 4.817 ( -3.619 0.882 14.751) 15.214 4.878 ( -3.525 -1.444 12.890) 13.441 6.315 ( 4.823 0.274 -17.369) 18.028 6.323 ( 4.838 -0.021 -17.737) 18.385 7.080 ( -1.223 0.241 4.278) 4.456 7.113 ( -1.085 -1.058 3.518) 3.831 7.213 ( -0.170 0.821 0.610) 1.036 7.233 ( -0.507 0.132 0.680) 0.858 7.755 ( -3.770 0.438 14.518) 15.006 7.779 ( -4.082 -0.441 14.083) 14.669 7.969 ( -1.008 0.623 5.366) 5.495 7.999 ( -0.984 -0.485 5.413) 5.523 9.457 ( -0.204 0.387 0.619) 0.758 9.482 ( -0.269 -0.529 0.675) 0.899 9.790 ( 1.570 0.335 -5.594) 5.819 9.802 ( 1.659 -0.130 -5.825) 6.058 11.360 ( -0.086 0.325 -0.391) 0.516 11.381 ( 0.079 -0.420 -0.678) 0.801 11.521 ( 2.090 0.121 -6.771) 7.087 11.525 ( 1.994 -0.017 -7.122) 7.396 14.466 ( -0.696 0.164 2.756) 2.848 14.476 ( -0.673 -0.208 2.795) 2.883 14.644 ( 0.803 0.236 -2.790) 2.913 14.656 ( 0.827 -0.213 -2.724) 2.854 18.405 ( -2.018 0.262 5.454) 5.822 18.418 ( -0.923 -0.235 5.306) 5.391 18.739 ( 1.254 1.409 -2.332) 3.000 18.819 ( 1.510 -1.560 -4.983) 5.435 20.117 ( -6.508 2.881 14.783) 16.407 20.327 ( -7.824 -5.508 10.003) 13.842 20.633 ( -1.065 2.728 -0.317) 2.945 20.736 ( -1.469 -1.456 -0.989) 2.293 22.249 ( -0.188 0.885 0.213) 0.930 22.319 ( 1.425 -1.915 -1.467) 2.802 22.410 ( 3.328 1.133 0.710) 3.587 22.459 ( 2.843 -0.824 -0.986) 3.119 ======================= Grid point 119 (69/96) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.582 -8.200 5.252) 10.762 1.119 ( 4.582 8.200 5.252) 10.762 1.194 ( -4.036 -6.555 9.148) 11.956 1.194 ( -4.036 6.555 9.148) 11.956 1.437 ( 1.414 -1.598 0.240) 2.147 1.437 ( 1.414 1.598 0.240) 2.147 1.616 ( -1.637 -0.906 1.620) 2.475 1.616 ( -1.637 0.906 1.620) 2.475 1.800 ( -0.863 -3.452 -0.878) 3.665 1.800 ( -0.863 3.452 -0.878) 3.665 1.987 ( 1.288 -4.676 0.544) 4.880 1.987 ( 1.288 4.676 0.544) 4.880 2.303 ( -2.094 -3.906 0.747) 4.495 2.303 ( -2.094 3.906 0.747) 4.495 2.664 ( 0.235 -1.394 0.518) 1.506 2.664 ( 0.235 1.394 0.518) 1.506 2.751 ( -0.408 -3.532 2.436) 4.310 2.751 ( -0.408 3.532 2.436) 4.310 2.972 ( 2.411 -3.620 -1.398) 4.569 2.972 ( 2.411 3.620 -1.398) 4.569 3.510 ( -1.006 -0.230 -2.247) 2.473 3.510 ( -1.006 0.230 -2.247) 2.473 4.019 ( -1.486 -1.398 4.189) 4.659 4.019 ( -1.486 1.398 4.189) 4.659 4.848 ( -3.465 -1.156 13.630) 14.111 4.848 ( -3.465 1.156 13.630) 14.111 6.321 ( 4.772 -0.289 -17.759) 18.391 6.321 ( 4.772 0.289 -17.759) 18.391 7.091 ( -0.929 -0.767 3.850) 4.034 7.091 ( -0.929 0.767 3.850) 4.034 7.225 ( -0.431 -0.353 0.735) 0.922 7.225 ( -0.431 0.353 0.735) 0.922 7.762 ( -4.364 -0.379 14.351) 15.004 7.762 ( -4.364 0.379 14.351) 15.004 7.991 ( -1.338 -0.736 5.608) 5.812 7.991 ( -1.338 0.736 5.608) 5.812 9.466 ( -0.328 -0.591 0.614) 0.913 9.466 ( -0.328 0.591 0.614) 0.913 9.800 ( 1.761 -0.457 -5.639) 5.925 9.800 ( 1.761 0.457 -5.639) 5.925 11.364 ( -0.284 -0.634 -0.535) 0.877 11.364 ( -0.284 0.634 -0.535) 0.877 11.529 ( 2.224 -0.219 -6.938) 7.289 11.529 ( 2.224 0.219 -6.938) 7.289 14.472 ( -0.777 -0.279 2.751) 2.872 14.472 ( -0.777 0.279 2.751) 2.872 14.652 ( 0.772 -0.338 -2.743) 2.870 14.652 ( 0.772 0.338 -2.743) 2.870 18.419 ( -0.859 -0.859 5.789) 5.915 18.419 ( -0.859 0.859 5.789) 5.915 18.767 ( -0.313 -1.571 -3.841) 4.162 18.767 ( -0.313 1.571 -3.841) 4.162 20.140 ( -6.538 -3.417 15.284) 16.971 20.140 ( -6.538 3.417 15.284) 16.971 20.656 ( -1.573 -2.276 -1.326) 3.068 20.656 ( -1.573 2.276 -1.326) 3.068 22.287 ( 0.413 -2.307 -0.586) 2.416 22.287 ( 0.413 2.307 -0.586) 2.416 22.485 ( 1.958 -1.010 -0.620) 2.288 22.485 ( 1.958 1.010 -0.620) 2.288 ======================= Grid point 121 (70/96) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.942 -4.005 3.887) 5.660 1.165 ( -0.942 4.005 3.887) 5.660 1.261 ( 4.199 -2.933 6.290) 8.112 1.261 ( 4.199 2.933 6.290) 8.112 1.448 ( -1.414 -2.358 0.601) 2.815 1.448 ( -1.414 2.358 0.601) 2.815 1.589 ( -0.500 -0.789 0.754) 1.201 1.589 ( -0.500 0.789 0.754) 1.201 1.819 ( 3.247 -3.293 -1.414) 4.835 1.819 ( 3.247 3.293 -1.414) 4.835 2.008 ( -0.129 -4.452 1.887) 4.838 2.008 ( -0.129 4.452 1.887) 4.838 2.255 ( -3.401 -3.412 2.618) 5.483 2.255 ( -3.401 3.412 2.618) 5.483 2.624 ( -2.711 -2.446 -2.556) 4.457 2.624 ( -2.711 2.446 -2.556) 4.457 2.775 ( 0.951 -1.750 1.229) 2.341 2.775 ( 0.951 1.750 1.229) 2.341 3.013 ( 1.519 -4.183 0.198) 4.455 3.013 ( 1.519 4.183 0.198) 4.455 3.483 ( -0.638 -1.066 -0.551) 1.359 3.483 ( -0.638 1.066 -0.551) 1.359 4.019 ( -0.710 -1.624 3.733) 4.133 4.019 ( -0.710 1.624 3.733) 4.133 4.852 ( -3.513 -0.561 13.503) 13.964 4.852 ( -3.513 0.561 13.503) 13.964 6.319 ( 4.676 -0.496 -17.584) 18.202 6.319 ( 4.676 0.496 -17.584) 18.202 7.095 ( -0.787 -0.710 3.779) 3.924 7.095 ( -0.787 0.710 3.779) 3.924 7.221 ( -0.356 -0.165 0.946) 1.025 7.221 ( -0.356 0.165 0.946) 1.025 7.750 ( -4.470 -0.136 14.132) 14.823 7.750 ( -4.470 0.136 14.132) 14.823 7.991 ( -1.790 -0.619 5.796) 6.097 7.991 ( -1.790 0.619 5.796) 6.097 9.462 ( -0.362 -0.440 0.578) 0.812 9.462 ( -0.362 0.440 0.578) 0.812 9.806 ( 1.765 -0.539 -5.550) 5.849 9.806 ( 1.765 0.539 -5.550) 5.849 11.355 ( -0.273 -0.709 -0.524) 0.923 11.355 ( -0.273 0.709 -0.524) 0.923 11.535 ( 2.144 -0.300 -6.933) 7.263 11.535 ( 2.144 0.300 -6.933) 7.263 14.470 ( -0.848 -0.297 2.734) 2.878 14.470 ( -0.848 0.297 2.734) 2.878 14.651 ( 0.706 -0.352 -2.727) 2.839 14.651 ( 0.706 0.352 -2.727) 2.839 18.437 ( -0.701 -1.196 5.821) 5.984 18.437 ( -0.701 1.196 5.821) 5.984 18.732 ( -0.895 -0.793 -3.500) 3.699 18.732 ( -0.895 0.793 -3.500) 3.699 20.122 ( -4.054 -1.445 17.379) 17.904 20.122 ( -4.054 1.445 17.379) 17.904 20.624 ( -0.907 -2.050 -0.383) 2.274 20.624 ( -0.907 2.050 -0.383) 2.274 22.286 ( -0.147 -2.648 -0.890) 2.797 22.286 ( -0.147 2.648 -0.890) 2.797 22.501 ( 0.209 -1.271 -1.770) 2.189 22.501 ( 0.209 1.271 -1.770) 2.189 ======================= Grid point 123 (71/96) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.048 -5.092 0.059) 5.092 1.174 ( 0.048 5.092 0.059) 5.092 1.313 ( -1.444 -1.164 -2.009) 2.734 1.313 ( -1.444 1.164 -2.009) 2.734 1.421 ( -0.521 -1.040 5.137) 5.267 1.421 ( -0.521 1.040 5.137) 5.267 1.629 ( 2.761 -1.476 2.930) 4.288 1.629 ( 2.761 1.476 2.930) 4.288 1.883 ( 1.782 -3.378 0.002) 3.819 1.883 ( 1.782 3.378 0.002) 3.819 2.016 ( 1.637 -3.140 0.998) 3.679 2.016 ( 1.637 3.140 0.998) 3.679 2.204 ( -3.407 -1.981 4.311) 5.840 2.204 ( -3.407 1.981 4.311) 5.840 2.544 ( -3.495 -4.264 -3.315) 6.433 2.544 ( -3.495 4.264 -3.315) 6.433 2.793 ( 1.082 -0.836 -1.770) 2.237 2.793 ( 1.082 0.836 -1.770) 2.237 3.026 ( -0.283 -4.328 0.219) 4.343 3.026 ( -0.283 4.328 0.219) 4.343 3.483 ( 0.361 -1.992 1.396) 2.459 3.483 ( 0.361 1.992 1.396) 2.459 4.029 ( -0.470 -1.774 4.005) 4.405 4.029 ( -0.470 1.774 4.005) 4.405 4.853 ( -3.771 -0.212 13.567) 14.083 4.853 ( -3.771 0.212 13.567) 14.083 6.317 ( 4.616 -0.547 -17.313) 17.926 6.317 ( 4.616 0.547 -17.313) 17.926 7.100 ( -0.798 -0.695 3.626) 3.777 7.100 ( -0.798 0.695 3.626) 3.777 7.221 ( -0.261 -0.271 1.252) 1.308 7.221 ( -0.261 0.271 1.252) 1.308 7.740 ( -3.986 -0.192 13.849) 14.413 7.740 ( -3.986 0.192 13.849) 14.413 7.984 ( -2.049 -0.396 5.794) 6.158 7.984 ( -2.049 0.396 5.794) 6.158 9.459 ( -0.248 -0.282 0.594) 0.703 9.459 ( -0.248 0.282 0.594) 0.703 9.809 ( 1.567 -0.493 -5.480) 5.721 9.809 ( 1.567 0.493 -5.480) 5.721 11.349 ( 0.048 -0.711 -0.495) 0.868 11.349 ( 0.048 0.711 -0.495) 0.868 11.538 ( 1.911 -0.268 -6.966) 7.229 11.538 ( 1.911 0.268 -6.966) 7.229 14.468 ( -0.842 -0.296 2.739) 2.881 14.468 ( -0.842 0.296 2.739) 2.881 14.650 ( 0.667 -0.346 -2.715) 2.817 14.650 ( 0.667 0.346 -2.715) 2.817 18.450 ( -1.151 -1.265 5.388) 5.653 18.450 ( -1.151 1.265 5.388) 5.653 18.701 ( -0.274 -0.086 -2.804) 2.818 18.701 ( -0.274 0.086 -2.804) 2.818 20.161 ( -1.978 -1.361 18.234) 18.392 20.161 ( -1.978 1.361 18.234) 18.392 20.620 ( 0.266 -2.245 1.225) 2.572 20.620 ( 0.266 2.245 1.225) 2.572 22.274 ( -0.478 -2.734 -0.845) 2.901 22.274 ( -0.478 2.734 -0.845) 2.901 22.477 ( -1.062 -1.670 -3.304) 3.852 22.477 ( -1.062 1.670 -3.304) 3.852 ======================= Grid point 125 (72/96) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.113 -4.570 -3.253) 6.415 1.132 ( -3.113 4.570 -3.253) 6.415 1.269 ( -1.175 -2.667 -1.609) 3.329 1.269 ( -1.175 2.667 -1.609) 3.329 1.445 ( -0.043 -0.802 3.017) 3.123 1.445 ( -0.043 0.802 3.017) 3.123 1.708 ( 2.646 -0.629 4.035) 4.866 1.708 ( 2.646 0.629 4.035) 4.866 1.872 ( -2.498 -1.993 4.515) 5.531 1.872 ( -2.498 1.993 4.515) 5.531 2.083 ( 2.355 -3.857 -2.816) 5.324 2.083 ( 2.355 3.857 -2.816) 5.324 2.182 ( -0.099 -0.517 4.833) 4.862 2.182 ( -0.099 0.517 4.833) 4.862 2.457 ( -2.926 -3.909 -2.208) 5.359 2.457 ( -2.926 3.909 -2.208) 5.359 2.803 ( 1.246 -2.015 -2.982) 3.809 2.803 ( 1.246 2.015 -2.982) 3.809 3.008 ( -1.086 -4.066 -1.130) 4.358 3.008 ( -1.086 4.066 -1.130) 4.358 3.506 ( 0.889 -2.492 1.862) 3.236 3.506 ( 0.889 2.492 1.862) 3.236 4.039 ( -1.104 -1.605 5.020) 5.385 4.039 ( -1.104 1.605 5.020) 5.385 4.849 ( -3.991 -0.677 13.708) 14.293 4.849 ( -3.991 0.677 13.708) 14.293 6.316 ( 4.628 -0.417 -17.138) 17.757 6.316 ( 4.628 0.417 -17.138) 17.757 7.102 ( -0.921 -0.712 3.532) 3.719 7.102 ( -0.921 0.712 3.532) 3.719 7.224 ( -0.224 -0.473 1.406) 1.500 7.224 ( -0.224 0.473 1.406) 1.500 7.742 ( -3.301 -0.500 13.592) 13.995 7.742 ( -3.301 0.500 13.592) 13.995 7.974 ( -1.899 -0.114 5.626) 5.939 7.974 ( -1.899 0.114 5.626) 5.939 9.460 ( -0.029 -0.416 0.681) 0.799 9.460 ( -0.029 0.416 0.681) 0.799 9.809 ( 1.330 -0.510 -5.507) 5.688 9.809 ( 1.330 0.510 -5.507) 5.688 11.352 ( 0.448 -0.740 -0.469) 0.984 11.352 ( 0.448 0.740 -0.469) 0.984 11.536 ( 1.655 -0.293 -7.019) 7.218 11.536 ( 1.655 0.293 -7.019) 7.218 14.467 ( -0.766 -0.271 2.759) 2.876 14.467 ( -0.766 0.271 2.759) 2.876 14.649 ( 0.685 -0.325 -2.716) 2.820 14.649 ( 0.685 0.325 -2.716) 2.820 18.448 ( -1.772 -1.075 4.826) 5.252 18.448 ( -1.772 1.075 4.826) 5.252 18.694 ( 0.974 -0.620 -2.162) 2.451 18.694 ( 0.974 0.620 -2.162) 2.451 20.227 ( -1.602 -2.932 17.510) 17.826 20.227 ( -1.602 2.932 17.510) 17.826 20.645 ( 1.106 -2.700 2.483) 3.832 20.645 ( 1.106 2.700 2.483) 3.832 22.261 ( -0.363 -2.366 -0.290) 2.411 22.261 ( -0.363 2.366 -0.290) 2.411 22.430 ( -1.188 -1.709 -4.508) 4.966 22.430 ( -1.188 1.709 -4.508) 4.966 ======================= Grid point 127 (73/96) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -3.205 -1.272 -0.216) 3.455 1.053 ( -3.205 1.272 -0.216) 3.455 1.231 ( -1.126 -3.513 -2.659) 4.548 1.231 ( -1.126 3.513 -2.659) 4.548 1.449 ( -1.207 -2.051 2.537) 3.479 1.449 ( -1.207 2.051 2.537) 3.479 1.756 ( -0.102 -0.856 2.732) 2.865 1.756 ( -0.102 0.856 2.732) 2.865 1.874 ( 0.507 -3.048 3.712) 4.830 1.874 ( 0.507 3.048 3.712) 4.830 2.034 ( -5.866 -4.600 2.724) 7.937 2.034 ( -5.866 4.600 2.724) 7.937 2.233 ( 2.305 -4.138 0.278) 4.745 2.233 ( 2.305 4.138 0.278) 4.745 2.443 ( 2.546 -2.056 -0.326) 3.289 2.443 ( 2.546 2.056 -0.326) 3.289 2.809 ( 0.575 -3.790 -2.147) 4.394 2.809 ( 0.575 3.790 -2.147) 4.394 2.976 ( -0.753 -3.401 -3.174) 4.713 2.976 ( -0.753 3.401 -3.174) 4.713 3.532 ( 0.821 -2.521 0.833) 2.779 3.532 ( 0.821 2.521 0.833) 2.779 4.040 ( -1.776 -1.107 6.176) 6.521 4.040 ( -1.776 1.107 6.176) 6.521 4.844 ( -3.957 -1.197 13.824) 14.429 4.844 ( -3.957 1.197 13.824) 14.429 6.316 ( 4.727 -0.270 -17.166) 17.807 6.316 ( 4.727 0.270 -17.166) 17.807 7.101 ( -1.130 -0.758 3.546) 3.798 7.101 ( -1.130 0.758 3.546) 3.798 7.227 ( -0.185 -0.614 1.306) 1.455 7.227 ( -0.185 0.614 1.306) 1.455 7.753 ( -3.066 -0.753 13.557) 13.920 7.753 ( -3.066 0.753 13.557) 13.920 7.971 ( -1.430 -0.387 5.394) 5.594 7.971 ( -1.430 0.387 5.394) 5.594 9.464 ( 0.057 -0.615 0.717) 0.946 9.464 ( 0.057 0.615 0.717) 0.946 9.804 ( 1.248 -0.553 -5.602) 5.766 9.804 ( 1.248 0.553 -5.602) 5.766 11.360 ( 0.604 -0.709 -0.473) 1.045 11.360 ( 0.604 0.709 -0.473) 1.045 11.529 ( 1.554 -0.341 -7.042) 7.220 11.529 ( 1.554 0.341 -7.042) 7.220 14.467 ( -0.680 -0.245 2.778) 2.870 14.467 ( -0.680 0.245 2.778) 2.870 14.648 ( 0.745 -0.304 -2.730) 2.846 14.648 ( 0.745 0.304 -2.730) 2.846 18.434 ( -2.081 -0.704 4.614) 5.110 18.434 ( -2.081 0.704 4.614) 5.110 18.716 ( 2.227 -1.383 -2.032) 3.317 18.716 ( 2.227 1.383 -2.032) 3.317 20.273 ( -3.099 -4.658 15.601) 16.574 20.273 ( -3.099 4.658 15.601) 16.574 20.683 ( 1.060 -2.945 2.376) 3.929 20.683 ( 1.060 2.945 2.376) 3.929 22.258 ( -0.037 -1.259 0.665) 1.424 22.258 ( -0.037 1.259 0.665) 1.424 22.391 ( 0.067 -1.323 -4.585) 4.773 22.391 ( 0.067 1.323 -4.585) 4.773 ======================= Grid point 129 (74/96) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -1.809 -2.765 2.651) 4.236 1.007 ( -1.809 2.765 2.651) 4.236 1.218 ( 0.446 -3.192 0.726) 3.304 1.218 ( 0.446 3.192 0.726) 3.304 1.426 ( -2.323 -2.345 3.106) 4.533 1.426 ( -2.323 2.345 3.106) 4.533 1.728 ( -4.069 -0.802 2.270) 4.728 1.728 ( -4.069 0.802 2.270) 4.728 1.901 ( -0.733 -3.535 -0.760) 3.690 1.901 ( -0.733 3.535 -0.760) 3.690 1.935 ( -2.756 -3.933 3.697) 6.061 1.935 ( -2.756 3.933 3.697) 6.061 2.285 ( 2.132 -3.431 2.318) 4.658 2.285 ( 2.132 3.431 2.318) 4.658 2.519 ( 4.182 -0.786 0.231) 4.262 2.519 ( 4.182 0.786 0.231) 4.262 2.797 ( -1.016 -4.414 -0.402) 4.548 2.797 ( -1.016 4.414 -0.402) 4.548 2.950 ( 0.349 -2.621 -4.331) 5.074 2.950 ( 0.349 2.621 -4.331) 5.074 3.545 ( 0.430 -2.192 -0.884) 2.403 3.545 ( 0.430 2.192 -0.884) 2.403 4.036 ( -1.970 -0.770 6.315) 6.660 4.036 ( -1.970 0.770 6.315) 6.660 4.842 ( -3.765 -1.557 13.900) 14.485 4.842 ( -3.765 1.557 13.900) 14.485 6.318 ( 4.841 -0.240 -17.394) 18.057 6.318 ( 4.841 0.240 -17.394) 18.057 7.096 ( -1.266 -0.821 3.647) 3.946 7.096 ( -1.266 0.821 3.647) 3.946 7.230 ( -0.209 -0.646 1.026) 1.230 7.230 ( -0.209 0.646 1.026) 1.230 7.764 ( -3.402 -0.791 13.892) 14.324 7.764 ( -3.402 0.791 13.892) 14.324 7.976 ( -1.028 -0.670 5.260) 5.401 7.976 ( -1.028 0.670 5.260) 5.401 9.468 ( -0.072 -0.663 0.662) 0.939 9.468 ( -0.072 0.663 0.662) 0.939 9.799 ( 1.365 -0.447 -5.670) 5.849 9.799 ( 1.365 0.447 -5.670) 5.849 11.368 ( 0.401 -0.580 -0.500) 0.865 11.368 ( 0.401 0.580 -0.500) 0.865 11.524 ( 1.729 -0.277 -7.015) 7.231 11.524 ( 1.729 0.277 -7.015) 7.231 14.469 ( -0.644 -0.244 2.784) 2.868 14.469 ( -0.644 0.244 2.784) 2.868 14.649 ( 0.803 -0.300 -2.746) 2.876 14.649 ( 0.803 0.300 -2.746) 2.876 18.418 ( -1.948 -0.214 4.868) 5.247 18.418 ( -1.948 0.214 4.868) 5.247 18.754 ( 2.507 -2.000 -2.615) 4.139 18.754 ( 2.507 2.000 -2.615) 4.139 20.266 ( -5.606 -5.742 13.696) 15.874 20.266 ( -5.606 5.742 13.696) 15.874 20.705 ( 0.071 -2.813 0.764) 2.916 20.705 ( 0.071 2.813 0.764) 2.916 22.265 ( 0.297 -0.579 0.815) 1.043 22.265 ( 0.297 0.579 0.815) 1.043 22.392 ( 2.061 -1.325 -2.769) 3.697 22.392 ( 2.061 1.325 -2.769) 3.697 ======================= Grid point 131 (75/96) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.450 -6.158 5.300) 8.253 1.023 ( 1.450 6.158 5.300) 8.253 1.227 ( -2.255 -2.601 5.797) 6.742 1.227 ( -2.255 2.601 5.797) 6.742 1.411 ( 0.054 -0.796 1.821) 1.988 1.411 ( 0.054 0.796 1.821) 1.988 1.650 ( -3.656 -1.083 2.350) 4.479 1.650 ( -3.656 1.083 2.350) 4.479 1.844 ( -3.063 -2.924 0.938) 4.338 1.844 ( -3.063 2.924 0.938) 4.338 1.957 ( 1.686 -3.093 -0.455) 3.552 1.957 ( 1.686 3.093 -0.455) 3.552 2.322 ( 0.162 -3.491 0.899) 3.608 2.322 ( 0.162 3.491 0.899) 3.608 2.606 ( 3.685 -0.950 2.130) 4.361 2.606 ( 3.685 0.950 2.130) 4.361 2.770 ( -1.770 -3.875 1.264) 4.444 2.770 ( -1.770 3.875 1.264) 4.444 2.946 ( 1.431 -2.775 -3.603) 4.767 2.946 ( 1.431 2.775 -3.603) 4.767 3.538 ( -0.352 -1.415 -2.273) 2.701 3.538 ( -0.352 1.415 -2.273) 2.701 4.029 ( -1.906 -1.077 5.278) 5.714 4.029 ( -1.906 1.077 5.278) 5.714 4.844 ( -3.584 -1.557 13.837) 14.378 4.844 ( -3.584 1.557 13.837) 14.378 6.320 ( 4.857 -0.203 -17.673) 18.329 6.320 ( 4.857 0.203 -17.673) 18.329 7.091 ( -1.161 -0.831 3.781) 4.042 7.091 ( -1.161 0.831 3.781) 4.042 7.229 ( -0.353 -0.554 0.770) 1.012 7.229 ( -0.353 0.554 0.770) 1.012 7.767 ( -3.919 -0.622 14.297) 14.837 7.767 ( -3.919 0.622 14.297) 14.837 7.985 ( -1.005 -0.770 5.355) 5.503 7.985 ( -1.005 0.770 5.355) 5.503 9.468 ( -0.232 -0.648 0.627) 0.931 9.468 ( -0.232 0.648 0.627) 0.931 9.798 ( 1.582 -0.324 -5.680) 5.905 9.798 ( 1.582 0.324 -5.680) 5.905 11.370 ( 0.010 -0.523 -0.524) 0.740 11.370 ( 0.010 0.523 -0.524) 0.740 11.523 ( 2.051 -0.104 -6.970) 7.267 11.523 ( 2.051 0.104 -6.970) 7.267 14.471 ( -0.686 -0.259 2.773) 2.869 14.471 ( -0.686 0.259 2.773) 2.869 14.651 ( 0.814 -0.315 -2.752) 2.887 14.651 ( 0.814 0.315 -2.752) 2.887 18.412 ( -1.441 -0.346 5.371) 5.571 18.412 ( -1.441 0.346 5.371) 5.571 18.778 ( 1.318 -2.093 -3.470) 4.261 18.778 ( 1.318 2.093 -3.470) 4.261 20.206 ( -7.297 -5.294 13.474) 16.212 20.206 ( -7.297 5.294 13.474) 16.212 20.692 ( -1.164 -2.579 -0.936) 2.981 20.692 ( -1.164 2.579 -0.936) 2.981 22.278 ( 0.616 -1.762 0.019) 1.867 22.278 ( 0.616 1.762 0.019) 1.867 22.436 ( 2.924 -1.257 -0.747) 3.269 22.436 ( 2.924 1.257 -0.747) 3.269 ======================= Grid point 140 (76/96) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.694 0.000 7.114) 9.112 1.183 ( -5.657 0.000 -4.270) 7.088 1.331 ( -3.130 0.000 10.370) 10.832 1.469 ( 2.968 0.000 -1.704) 3.422 1.566 ( 1.070 0.000 4.636) 4.758 1.615 ( -3.225 0.000 -1.103) 3.408 1.615 ( -2.296 0.000 1.111) 2.551 1.619 ( 2.524 0.000 -0.691) 2.617 1.707 ( -1.216 0.000 3.294) 3.511 1.742 ( 3.806 0.000 0.896) 3.910 1.937 ( -3.486 0.000 1.717) 3.886 2.039 ( 1.921 0.000 -5.152) 5.499 2.241 ( -0.268 0.000 1.353) 1.379 2.296 ( 0.777 0.000 -4.565) 4.631 2.584 ( -3.526 0.000 2.295) 4.207 2.673 ( 1.251 0.000 1.306) 1.808 2.713 ( 2.887 0.000 -4.450) 5.304 2.786 ( 1.604 0.000 -3.613) 3.953 2.954 ( -4.664 0.000 5.073) 6.891 3.029 ( 4.911 0.000 -2.740) 5.624 3.579 ( -2.539 0.000 10.374) 10.680 3.610 ( -4.081 0.000 11.210) 11.929 3.838 ( 2.333 0.000 -13.463) 13.664 3.886 ( 4.500 0.000 -14.611) 15.288 5.337 ( -7.711 0.000 29.105) 30.109 5.355 ( -8.432 0.000 29.311) 30.500 5.881 ( 6.465 0.000 -25.012) 25.834 5.905 ( 7.194 0.000 -24.834) 25.855 7.159 ( -0.513 0.000 2.954) 2.998 7.192 ( -0.310 0.000 2.499) 2.518 7.197 ( 0.055 0.000 -0.960) 0.962 7.222 ( -0.310 0.000 -0.544) 0.626 7.980 ( -2.413 0.000 7.408) 7.791 7.997 ( -2.813 0.000 8.014) 8.493 8.041 ( 0.297 0.000 0.821) 0.873 8.074 ( 0.257 0.000 0.171) 0.309 9.507 ( -1.485 0.000 5.216) 5.423 9.539 ( -1.823 0.000 5.026) 5.346 9.646 ( 2.226 0.000 -7.895) 8.203 9.672 ( 2.678 0.000 -7.683) 8.137 11.356 ( -0.866 0.000 1.414) 1.658 11.380 ( -0.507 0.000 0.794) 0.942 11.411 ( 1.363 0.000 -4.234) 4.448 11.423 ( 1.487 0.000 -3.786) 4.068 14.522 ( -0.895 0.000 3.036) 3.165 14.539 ( -0.868 0.000 3.129) 3.247 14.583 ( 0.875 0.000 -3.063) 3.186 14.602 ( 0.880 0.000 -3.107) 3.229 18.524 ( -1.317 0.000 6.666) 6.794 18.562 ( -0.358 0.000 6.456) 6.466 18.646 ( 0.735 0.000 -5.275) 5.326 18.691 ( 0.013 0.000 -6.395) 6.395 20.348 ( -2.047 0.000 11.954) 12.128 20.471 ( -4.761 0.000 9.743) 10.843 20.526 ( 0.260 0.000 -5.749) 5.755 20.631 ( 0.700 0.000 -6.057) 6.097 22.242 ( -0.813 0.000 1.126) 1.389 22.281 ( 1.216 0.000 -2.786) 3.040 22.496 ( 0.290 0.000 0.796) 0.847 22.506 ( 1.113 0.000 -0.396) 1.182 ======================= Grid point 141 (77/96) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -5.222 0.000 -5.086) 7.290 1.197 ( 3.902 0.000 4.492) 5.950 1.343 ( -0.195 0.000 5.715) 5.719 1.508 ( -2.219 0.000 -3.561) 4.196 1.550 ( 1.034 0.000 5.646) 5.740 1.557 ( -2.882 0.000 0.281) 2.896 1.612 ( 0.587 0.000 2.255) 2.330 1.663 ( 1.299 0.000 -0.376) 1.352 1.710 ( 0.996 0.000 -0.314) 1.044 1.844 ( 4.465 0.000 -5.796) 7.316 1.899 ( 0.318 0.000 7.203) 7.210 2.024 ( -1.768 0.000 -0.989) 2.026 2.266 ( 2.363 0.000 -0.228) 2.374 2.287 ( 0.270 0.000 -3.064) 3.076 2.515 ( -4.978 0.000 4.633) 6.801 2.676 ( -1.998 0.000 1.811) 2.697 2.735 ( 2.028 0.000 -6.155) 6.480 2.765 ( -0.695 0.000 -6.444) 6.482 2.887 ( -3.522 0.000 2.711) 4.444 3.095 ( 2.809 0.000 -2.884) 4.026 3.572 ( -3.872 0.000 12.593) 13.175 3.628 ( -0.786 0.000 11.003) 11.031 3.821 ( 3.246 0.000 -13.412) 13.799 3.905 ( 5.054 0.000 -13.565) 14.476 5.344 ( -7.602 0.000 28.736) 29.724 5.347 ( -8.054 0.000 29.789) 30.858 5.879 ( 6.791 0.000 -24.704) 25.621 5.913 ( 7.011 0.000 -24.752) 25.726 7.165 ( -0.491 0.000 2.876) 2.918 7.193 ( 0.093 0.000 -0.967) 0.971 7.201 ( -0.212 0.000 2.533) 2.542 7.217 ( 0.069 0.000 -0.430) 0.436 7.966 ( -2.743 0.000 7.126) 7.635 7.982 ( -2.995 0.000 8.287) 8.811 8.047 ( -0.184 0.000 0.810) 0.830 8.074 ( -0.502 0.000 0.411) 0.649 9.509 ( -1.221 0.000 5.256) 5.396 9.528 ( -1.885 0.000 4.857) 5.209 9.650 ( 2.424 0.000 -7.896) 8.260 9.681 ( 2.362 0.000 -7.731) 8.084 11.347 ( -0.824 0.000 1.535) 1.743 11.374 ( -0.460 0.000 0.844) 0.961 11.415 ( 1.231 0.000 -4.069) 4.252 11.431 ( 1.350 0.000 -3.973) 4.196 14.520 ( -0.939 0.000 3.059) 3.200 14.538 ( -0.938 0.000 3.121) 3.259 14.584 ( 0.809 0.000 -3.034) 3.140 14.602 ( 0.808 0.000 -3.126) 3.229 18.535 ( -1.398 0.000 6.710) 6.854 18.586 ( -0.904 0.000 6.374) 6.437 18.631 ( 0.748 0.000 -4.987) 5.043 18.654 ( -0.263 0.000 -5.628) 5.634 20.383 ( -1.402 0.000 11.816) 11.899 20.466 ( -1.777 0.000 13.152) 13.271 20.508 ( 1.214 0.000 -5.515) 5.647 20.639 ( 2.558 0.000 -3.317) 4.189 22.230 ( -1.021 0.000 1.187) 1.566 22.286 ( 0.812 0.000 -2.735) 2.853 22.476 ( -2.126 0.000 -0.526) 2.190 22.500 ( -1.063 0.000 -2.121) 2.372 ======================= Grid point 142 (78/96) ======================= q-point: ( 0.29 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -1.192 0.000 -4.532) 4.686 1.234 ( -1.430 0.000 -1.207) 1.872 1.362 ( -1.096 0.000 1.357) 1.744 1.410 ( -3.483 0.000 -4.053) 5.344 1.516 ( -0.473 0.000 1.209) 1.298 1.579 ( -2.862 0.000 3.644) 4.633 1.680 ( 4.571 0.000 4.195) 6.204 1.683 ( 1.392 0.000 -0.076) 1.394 1.750 ( 2.443 0.000 1.927) 3.111 1.851 ( 1.064 0.000 -3.478) 3.637 1.973 ( -3.367 0.000 3.871) 5.130 2.027 ( 7.041 0.000 1.041) 7.117 2.271 ( -0.702 0.000 -1.130) 1.330 2.321 ( 2.826 0.000 -0.141) 2.830 2.436 ( -5.419 0.000 5.072) 7.422 2.610 ( -5.274 0.000 1.088) 5.384 2.706 ( -0.853 0.000 -7.458) 7.506 2.727 ( 0.874 0.000 -7.217) 7.270 2.861 ( 0.011 0.000 1.905) 1.905 3.105 ( -0.147 0.000 -3.286) 3.290 3.568 ( -3.393 0.000 12.636) 13.084 3.679 ( -0.408 0.000 10.695) 10.703 3.821 ( 4.025 0.000 -13.440) 14.030 3.936 ( 4.832 0.000 -12.530) 13.430 5.341 ( -8.132 0.000 29.562) 30.660 5.358 ( -7.386 0.000 29.283) 30.200 5.883 ( 6.938 0.000 -24.402) 25.369 5.916 ( 6.647 0.000 -24.591) 25.474 7.169 ( -0.643 0.000 2.809) 2.882 7.192 ( 0.252 0.000 -0.693) 0.737 7.208 ( -0.497 0.000 2.469) 2.518 7.220 ( 0.454 0.000 -0.466) 0.650 7.951 ( -2.519 0.000 7.183) 7.612 7.971 ( -2.440 0.000 8.076) 8.437 8.044 ( -0.470 0.000 0.483) 0.674 8.059 ( -1.106 0.000 0.661) 1.289 9.511 ( -1.571 0.000 5.092) 5.329 9.523 ( -1.092 0.000 5.171) 5.285 9.654 ( 2.184 0.000 -7.969) 8.262 9.684 ( 2.104 0.000 -7.744) 8.025 11.340 ( -0.591 0.000 1.429) 1.546 11.373 ( -0.103 0.000 1.110) 1.115 11.414 ( 0.866 0.000 -4.251) 4.339 11.435 ( 1.203 0.000 -3.937) 4.117 14.519 ( -0.898 0.000 3.095) 3.223 14.536 ( -0.950 0.000 3.140) 3.281 14.583 ( 0.767 0.000 -3.042) 3.137 14.600 ( 0.764 0.000 -3.141) 3.232 18.538 ( -1.823 0.000 6.174) 6.437 18.591 ( -1.898 0.000 5.775) 6.079 18.625 ( 0.284 0.000 -4.690) 4.699 18.626 ( 1.412 0.000 -4.440) 4.659 20.413 ( -1.912 0.000 11.424) 11.583 20.517 ( 2.356 0.000 -4.404) 4.995 20.533 ( 0.509 0.000 13.691) 13.701 20.689 ( 3.311 0.000 -1.286) 3.552 22.219 ( -0.571 0.000 1.444) 1.553 22.286 ( 0.717 0.000 -2.477) 2.579 22.414 ( -3.292 0.000 -1.068) 3.461 22.445 ( -2.479 0.000 -3.972) 4.682 ======================= Grid point 143 (79/96) ======================= q-point: (-0.57 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 2.906 0.000 -1.123) 3.115 1.132 ( -5.979 0.000 -5.221) 7.937 1.310 ( -3.569 0.000 1.654) 3.933 1.350 ( -0.598 0.000 -3.095) 3.152 1.534 ( -2.977 0.000 3.157) 4.339 1.554 ( 2.958 0.000 -1.023) 3.130 1.735 ( 3.566 0.000 0.206) 3.572 1.750 ( -0.629 0.000 5.124) 5.163 1.793 ( -0.366 0.000 1.036) 1.098 1.853 ( 0.870 0.000 -3.348) 3.459 1.987 ( 2.544 0.000 8.096) 8.486 2.138 ( 1.935 0.000 -1.836) 2.667 2.271 ( 2.995 0.000 -0.285) 3.008 2.307 ( -6.622 0.000 5.912) 8.877 2.421 ( 4.102 0.000 -1.870) 4.508 2.485 ( -7.112 0.000 1.002) 7.182 2.659 ( -0.108 0.000 -5.645) 5.646 2.699 ( 0.520 0.000 -7.393) 7.411 2.906 ( 2.747 0.000 2.714) 3.862 3.057 ( -2.348 0.000 -3.879) 4.534 3.571 ( -2.967 0.000 11.618) 11.991 3.719 ( -1.378 0.000 10.024) 10.118 3.833 ( 4.498 0.000 -13.775) 14.491 3.955 ( 3.612 0.000 -11.939) 12.473 5.341 ( -8.054 0.000 29.934) 30.998 5.366 ( -7.697 0.000 29.311) 30.305 5.889 ( 6.838 0.000 -24.387) 25.327 5.913 ( 6.394 0.000 -24.415) 25.238 7.169 ( -0.891 0.000 2.759) 2.899 7.196 ( 0.392 0.000 -0.451) 0.598 7.207 ( -0.919 0.000 2.388) 2.559 7.228 ( 0.597 0.000 -0.522) 0.793 7.947 ( -1.895 0.000 7.436) 7.674 7.973 ( -1.644 0.000 7.536) 7.713 8.031 ( -0.865 0.000 -0.053) 0.866 8.045 ( -0.582 0.000 0.896) 1.069 9.507 ( -1.445 0.000 5.138) 5.337 9.534 ( -0.866 0.000 5.397) 5.466 9.650 ( 1.842 0.000 -7.995) 8.205 9.682 ( 1.911 0.000 -7.792) 8.023 11.341 ( -0.100 0.000 1.353) 1.357 11.380 ( 0.055 0.000 1.216) 1.217 11.405 ( 0.716 0.000 -4.439) 4.497 11.435 ( 0.935 0.000 -3.924) 4.034 14.518 ( -0.812 0.000 3.110) 3.214 14.535 ( -0.891 0.000 3.175) 3.298 14.582 ( 0.778 0.000 -3.081) 3.178 14.599 ( 0.782 0.000 -3.141) 3.237 18.530 ( -2.034 0.000 5.546) 5.907 18.575 ( -2.568 0.000 5.115) 5.723 18.615 ( 1.142 0.000 -3.982) 4.142 18.641 ( 2.399 0.000 -4.219) 4.854 20.427 ( -2.769 0.000 10.694) 11.047 20.547 ( 2.548 0.000 -3.640) 4.443 20.614 ( 0.213 0.000 11.488) 11.490 20.743 ( 2.437 0.000 -1.288) 2.756 22.229 ( 0.704 0.000 2.089) 2.205 22.291 ( 0.931 0.000 -1.904) 2.119 22.343 ( -3.039 0.000 -0.732) 3.126 22.371 ( -1.909 0.000 -4.757) 5.126 ======================= Grid point 144 (80/96) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -5.629 0.000 -3.929) 6.864 1.035 ( 4.902 0.000 3.724) 6.156 1.271 ( -1.701 0.000 4.266) 4.592 1.348 ( 1.616 0.000 -1.767) 2.394 1.501 ( -2.038 0.000 3.567) 4.108 1.600 ( 2.467 0.000 -2.753) 3.697 1.708 ( -3.751 0.000 2.520) 4.519 1.791 ( 0.541 0.000 1.154) 1.274 1.797 ( -0.662 0.000 2.879) 2.954 1.846 ( 0.100 0.000 -4.691) 4.692 2.092 ( -3.079 0.000 -2.390) 3.898 2.095 ( 2.087 0.000 4.076) 4.579 2.205 ( -4.756 0.000 5.733) 7.449 2.344 ( -3.348 0.000 3.506) 4.848 2.399 ( 4.752 0.000 -2.201) 5.237 2.513 ( 5.145 0.000 -0.881) 5.220 2.644 ( 0.798 0.000 -2.394) 2.524 2.673 ( 0.865 0.000 -6.922) 6.976 2.978 ( 1.998 0.000 3.955) 4.431 2.981 ( -2.498 0.000 -4.595) 5.230 3.574 ( -2.738 0.000 10.305) 10.663 3.729 ( -2.977 0.000 9.436) 9.895 3.850 ( 4.765 0.000 -14.513) 15.275 3.949 ( 2.204 0.000 -11.756) 11.961 5.342 ( -8.115 0.000 30.074) 31.150 5.369 ( -7.925 0.000 29.347) 30.398 5.891 ( 6.669 0.000 -24.601) 25.489 5.908 ( 6.369 0.000 -24.364) 25.183 7.164 ( -1.093 0.000 2.756) 2.965 7.199 ( -1.092 0.000 2.363) 2.604 7.201 ( 0.333 0.000 -0.441) 0.553 7.236 ( 0.442 0.000 -0.544) 0.701 7.955 ( -1.421 0.000 7.764) 7.893 7.985 ( -1.209 0.000 7.070) 7.173 8.017 ( -0.487 0.000 0.166) 0.514 8.043 ( 0.093 0.000 0.335) 0.348 9.509 ( -1.264 0.000 5.372) 5.519 9.543 ( -1.143 0.000 5.339) 5.460 9.644 ( 1.955 0.000 -7.875) 8.114 9.674 ( 1.639 0.000 -7.943) 8.110 11.350 ( 0.230 0.000 1.301) 1.321 11.386 ( -0.098 0.000 1.131) 1.135 11.397 ( 0.949 0.000 -4.472) 4.571 11.430 ( 0.709 0.000 -3.954) 4.017 14.520 ( -0.747 0.000 3.098) 3.187 14.535 ( -0.805 0.000 3.198) 3.298 14.581 ( 0.832 0.000 -3.123) 3.232 14.598 ( 0.850 0.000 -3.125) 3.238 18.521 ( -1.751 0.000 5.318) 5.599 18.549 ( -2.597 0.000 4.912) 5.556 18.625 ( 1.885 0.000 -3.795) 4.237 18.674 ( 3.081 0.000 -4.684) 5.606 20.414 ( -4.067 0.000 9.819) 10.628 20.571 ( 1.721 0.000 -3.839) 4.207 20.652 ( -1.997 0.000 8.000) 8.246 20.762 ( 0.550 0.000 -3.384) 3.429 22.267 ( 0.942 0.000 1.396) 1.684 22.284 ( -0.379 0.000 -3.300) 3.322 22.298 ( -0.345 0.000 1.847) 1.879 22.349 ( 1.915 0.000 -1.889) 2.690 ======================= Grid point 145 (81/96) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.640 0.000 0.517) 1.720 1.168 ( 5.133 0.000 5.934) 7.846 1.284 ( -0.226 0.000 7.054) 7.058 1.385 ( 2.479 0.000 -0.958) 2.658 1.491 ( -0.743 0.000 3.476) 3.555 1.616 ( -0.577 0.000 -0.048) 0.579 1.672 ( -0.662 0.000 1.241) 1.407 1.758 ( -3.558 0.000 -2.536) 4.370 1.777 ( -3.203 0.000 3.629) 4.840 1.782 ( -3.296 0.000 -2.145) 3.932 2.027 ( -2.158 0.000 -1.357) 2.549 2.062 ( -2.608 0.000 -1.668) 3.096 2.225 ( 0.847 0.000 4.577) 4.655 2.310 ( -0.290 0.000 0.617) 0.681 2.514 ( 5.806 0.000 -0.585) 5.835 2.601 ( 3.048 0.000 0.303) 3.063 2.661 ( 1.632 0.000 -5.894) 6.116 2.669 ( 2.620 0.000 0.023) 2.620 2.928 ( 0.227 0.000 -4.602) 4.607 3.017 ( -0.788 0.000 5.422) 5.479 3.573 ( -2.609 0.000 9.341) 9.698 3.703 ( -4.537 0.000 9.200) 10.258 3.865 ( 4.787 0.000 -15.418) 16.144 3.918 ( 1.368 0.000 -11.962) 12.040 5.341 ( -8.248 0.000 29.826) 30.945 5.368 ( -8.073 0.000 29.302) 30.394 5.890 ( 6.714 0.000 -24.761) 25.655 5.902 ( 6.358 0.000 -24.632) 25.439 7.157 ( -1.043 0.000 2.847) 3.032 7.191 ( -0.948 0.000 2.373) 2.556 7.203 ( 0.159 0.000 -0.598) 0.619 7.238 ( 0.050 0.000 -0.584) 0.587 7.971 ( -1.436 0.000 7.931) 8.060 7.999 ( -1.383 0.000 7.101) 7.234 8.016 ( 0.238 0.000 0.413) 0.476 8.051 ( 0.554 0.000 -0.038) 0.555 9.512 ( -1.439 0.000 5.446) 5.633 9.546 ( -1.401 0.000 5.266) 5.449 9.645 ( 2.308 0.000 -7.687) 8.026 9.663 ( 1.651 0.000 -8.065) 8.233 11.361 ( 0.087 0.000 1.234) 1.237 11.387 ( -0.366 0.000 1.000) 1.065 11.396 ( 1.436 0.000 -4.391) 4.620 11.422 ( 0.690 0.000 -3.926) 3.986 14.522 ( -0.743 0.000 3.073) 3.161 14.537 ( -0.759 0.000 3.189) 3.278 14.581 ( 0.889 0.000 -3.137) 3.261 14.599 ( 0.915 0.000 -3.105) 3.237 18.521 ( -1.158 0.000 5.569) 5.688 18.527 ( -2.211 0.000 5.314) 5.755 18.644 ( 1.988 0.000 -4.227) 4.671 18.706 ( 2.713 0.000 -5.658) 6.275 20.377 ( -4.684 0.000 9.750) 10.817 20.572 ( 0.694 0.000 -4.602) 4.654 20.619 ( -4.749 0.000 5.630) 7.365 20.730 ( -0.902 0.000 -6.009) 6.077 22.257 ( -0.783 0.000 0.566) 0.966 22.266 ( 0.605 0.000 -3.338) 3.392 22.368 ( 3.592 0.000 3.788) 5.221 22.400 ( 3.168 0.000 0.015) 3.168 ======================= Grid point 146 (82/96) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.225 0.000 5.172) 6.095 1.252 ( 0.750 0.000 -0.915) 1.183 1.336 ( -1.602 0.000 13.079) 13.176 1.426 ( 2.517 0.000 -2.282) 3.398 1.516 ( 0.975 0.000 4.481) 4.586 1.571 ( -2.429 0.000 3.598) 4.341 1.671 ( -0.822 0.000 -0.766) 1.124 1.685 ( -2.594 0.000 -2.204) 3.404 1.714 ( -0.717 0.000 -2.979) 3.064 1.723 ( -3.517 0.000 5.461) 6.495 1.987 ( -2.246 0.000 1.311) 2.601 2.028 ( 1.084 0.000 -4.803) 4.924 2.245 ( -0.575 0.000 2.356) 2.425 2.307 ( 0.557 0.000 -3.770) 3.811 2.615 ( 3.953 0.000 0.541) 3.989 2.622 ( -0.902 0.000 0.777) 1.190 2.678 ( 2.718 0.000 -4.430) 5.197 2.741 ( 3.636 0.000 -0.392) 3.657 2.949 ( 3.960 0.000 -3.489) 5.278 3.006 ( -3.383 0.000 6.228) 7.087 3.573 ( -2.406 0.000 9.259) 9.566 3.653 ( -5.345 0.000 9.830) 11.189 3.868 ( 3.140 0.000 -14.916) 15.243 3.884 ( 2.833 0.000 -13.338) 13.635 5.337 ( -8.155 0.000 29.402) 30.512 5.363 ( -8.290 0.000 29.241) 30.393 5.889 ( 6.454 0.000 -24.941) 25.763 5.898 ( 6.862 0.000 -24.867) 25.797 7.155 ( -0.744 0.000 2.957) 3.049 7.188 ( -0.647 0.000 2.415) 2.500 7.201 ( 0.045 0.000 -0.790) 0.791 7.232 ( -0.294 0.000 -0.620) 0.686 7.981 ( -1.856 0.000 7.775) 7.994 8.004 ( -2.067 0.000 7.533) 7.811 8.028 ( 0.555 0.000 0.659) 0.862 8.064 ( 0.660 0.000 -0.057) 0.663 9.510 ( -1.624 0.000 5.329) 5.571 9.545 ( -1.581 0.000 5.197) 5.432 9.647 ( 1.993 0.000 -7.831) 8.081 9.660 ( 2.555 0.000 -7.800) 8.208 11.364 ( -0.519 0.000 1.251) 1.354 11.384 ( -0.415 0.000 0.889) 0.981 11.405 ( 1.673 0.000 -4.434) 4.739 11.417 ( 0.995 0.000 -3.701) 3.832 14.523 ( -0.804 0.000 3.045) 3.150 14.539 ( -0.789 0.000 3.157) 3.255 14.582 ( 0.910 0.000 -3.111) 3.241 14.600 ( 0.928 0.000 -3.097) 3.233 18.519 ( -1.691 0.000 6.057) 6.288 18.536 ( -0.560 0.000 6.068) 6.094 18.654 ( 1.370 0.000 -4.934) 5.121 18.714 ( 1.316 0.000 -6.438) 6.571 20.345 ( -3.808 0.000 10.767) 11.421 20.539 ( -5.946 0.000 6.499) 8.809 20.553 ( 0.165 0.000 -5.261) 5.264 20.672 ( -0.884 0.000 -7.285) 7.338 22.250 ( -0.526 0.000 1.012) 1.141 22.270 ( 1.310 0.000 -2.934) 3.213 22.454 ( 2.782 0.000 2.567) 3.786 22.464 ( 2.776 0.000 0.415) 2.807 ======================= Grid point 147 (83/96) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.427 3.804 6.655) 8.852 1.216 ( -3.700 2.813 -4.167) 6.243 1.309 ( -4.036 -2.185 7.091) 8.446 1.391 ( 3.880 -6.188 0.143) 7.305 1.522 ( 2.524 -1.872 5.604) 6.425 1.586 ( -1.099 -2.770 3.574) 4.653 1.625 ( -3.537 0.554 2.107) 4.154 1.654 ( -1.709 -0.635 0.494) 1.889 1.676 ( 2.231 1.932 -2.224) 3.696 1.760 ( -0.084 -0.663 -4.822) 4.868 1.951 ( -1.385 1.599 3.006) 3.676 2.027 ( 1.886 -1.124 -3.664) 4.272 2.286 ( 0.403 3.715 2.963) 4.769 2.342 ( -0.688 3.116 -1.148) 3.391 2.574 ( -1.782 -0.585 0.030) 1.876 2.659 ( 0.684 -2.004 -3.734) 4.293 2.742 ( 0.521 2.589 -0.668) 2.724 2.794 ( 2.303 1.071 -2.226) 3.377 2.932 ( -3.359 -1.556 4.015) 5.461 2.998 ( 4.400 -2.711 -2.717) 5.838 3.584 ( -2.659 0.444 10.172) 10.524 3.606 ( -3.728 -0.359 10.678) 11.316 3.848 ( 2.608 0.845 -13.280) 13.560 3.882 ( 4.140 -0.407 -14.166) 14.765 5.338 ( -7.795 0.117 29.188) 30.211 5.351 ( -8.306 -0.347 29.358) 30.513 5.884 ( 6.567 0.291 -25.034) 25.882 5.901 ( 7.080 -0.339 -24.912) 25.901 7.152 ( -0.495 -0.406 2.431) 2.514 7.166 ( -0.258 -1.143 1.239) 1.705 7.221 ( -0.134 1.046 0.478) 1.158 7.231 ( -0.214 0.547 -0.212) 0.624 7.982 ( -2.471 0.237 7.498) 7.898 7.995 ( -2.747 -0.231 7.909) 8.376 8.047 ( 0.275 0.462 0.748) 0.921 8.070 ( 0.258 -0.397 0.274) 0.547 9.511 ( -1.498 0.324 5.122) 5.346 9.533 ( -1.716 -0.512 4.919) 5.235 9.651 ( 2.226 0.452 -7.725) 8.052 9.670 ( 2.558 -0.253 -7.642) 8.063 11.359 ( -0.820 0.296 1.332) 1.592 11.376 ( -0.567 -0.329 0.883) 1.100 11.413 ( 1.394 0.186 -4.173) 4.403 11.422 ( 1.484 -0.132 -3.867) 4.144 14.524 ( -0.881 0.175 3.008) 3.140 14.536 ( -0.847 -0.276 3.022) 3.151 14.587 ( 0.851 0.286 -2.976) 3.109 14.600 ( 0.869 -0.204 -3.059) 3.186 18.531 ( -1.156 0.539 6.630) 6.752 18.557 ( -0.475 -0.443 6.479) 6.511 18.653 ( 0.610 0.629 -5.408) 5.479 18.685 ( 0.098 -0.552 -6.204) 6.229 20.364 ( -2.401 1.482 11.807) 12.140 20.449 ( -4.141 -1.762 10.035) 10.998 20.545 ( 0.132 1.595 -5.662) 5.884 20.618 ( 0.607 -1.164 -6.118) 6.257 22.254 ( -0.561 0.950 0.806) 1.366 22.282 ( 0.941 0.022 -2.122) 2.321 22.485 ( 0.388 -0.729 0.583) 1.011 22.495 ( 1.027 -0.917 -0.439) 1.445 ======================= Grid point 148 (84/96) ======================= q-point: ( 0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -4.945 4.945 -4.191) 8.153 1.204 ( 2.470 0.665 3.341) 4.208 1.299 ( 0.075 -3.075 2.322) 3.854 1.443 ( -0.495 -7.322 -1.142) 7.427 1.524 ( -3.769 0.754 -0.950) 3.959 1.571 ( -3.068 -1.599 5.870) 6.814 1.611 ( 2.291 -0.020 3.930) 4.549 1.627 ( 2.039 -0.176 0.457) 2.097 1.743 ( 3.732 1.582 -1.374) 4.280 1.824 ( 6.298 -2.008 -1.009) 6.687 1.939 ( -1.271 3.307 1.868) 4.005 2.026 ( -0.219 -0.270 -1.949) 1.980 2.300 ( -0.776 2.862 -0.018) 2.966 2.324 ( -0.241 2.702 1.359) 3.034 2.516 ( -4.241 0.268 2.966) 5.183 2.635 ( -1.398 -3.769 -2.856) 4.931 2.730 ( -0.760 1.006 -2.534) 2.830 2.795 ( -0.619 0.495 -3.203) 3.300 2.894 ( -1.122 1.704 -0.106) 2.042 3.058 ( 2.651 -3.259 -2.963) 5.141 3.579 ( -3.396 0.672 11.885) 12.379 3.618 ( -1.291 -0.837 10.546) 10.658 3.839 ( 3.548 1.481 -12.857) 13.419 3.897 ( 4.798 -0.768 -13.234) 14.098 5.344 ( -7.645 -0.027 28.917) 29.910 5.346 ( -7.957 -0.086 29.658) 30.707 5.883 ( 6.834 0.413 -24.758) 25.687 5.908 ( 6.989 -0.494 -24.795) 25.766 7.155 ( -0.440 -0.549 2.249) 2.356 7.168 ( -0.202 -1.175 0.942) 1.519 7.224 ( 0.011 0.998 0.748) 1.247 7.230 ( 0.071 0.742 0.108) 0.753 7.969 ( -2.801 0.189 7.275) 7.798 7.980 ( -2.978 -0.226 8.081) 8.615 8.052 ( -0.214 0.400 0.806) 0.924 8.070 ( -0.438 -0.296 0.502) 0.729 9.510 ( -1.337 0.131 5.076) 5.251 9.523 ( -1.791 -0.377 4.741) 5.082 9.657 ( 2.414 0.536 -7.669) 8.058 9.678 ( 2.379 -0.296 -7.619) 7.988 11.350 ( -0.795 0.305 1.417) 1.653 11.369 ( -0.547 -0.405 0.899) 1.128 11.418 ( 1.280 0.267 -4.022) 4.229 11.429 ( 1.354 -0.149 -3.982) 4.209 14.522 ( -0.927 0.187 3.031) 3.175 14.535 ( -0.912 -0.284 3.027) 3.174 14.587 ( 0.784 0.281 -2.962) 3.077 14.600 ( 0.797 -0.200 -3.074) 3.182 18.543 ( -1.355 0.693 6.566) 6.741 18.578 ( -1.018 -0.645 6.275) 6.390 18.635 ( 0.626 0.360 -4.972) 5.025 18.651 ( -0.071 -0.220 -5.390) 5.395 20.394 ( -1.456 1.046 12.038) 12.171 20.452 ( -1.654 -1.136 12.584) 12.743 20.530 ( 1.331 1.861 -4.830) 5.344 20.621 ( 2.347 -1.573 -3.672) 4.633 22.243 ( -0.861 1.160 0.795) 1.649 22.285 ( 0.495 -0.223 -2.123) 2.191 22.468 ( -1.879 -0.501 -0.770) 2.092 22.487 ( -1.069 -1.022 -2.046) 2.524 ======================= Grid point 149 (85/96) ======================= q-point: ( 0.29 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.793 5.050 -3.966) 6.667 1.229 ( -0.657 -0.514 -0.924) 1.244 1.309 ( 0.167 -3.770 -1.848) 4.202 1.338 ( -5.929 -6.745 -3.004) 9.469 1.491 ( -0.423 0.086 1.381) 1.447 1.543 ( -1.862 -2.151 2.765) 3.968 1.692 ( 3.005 0.612 3.614) 4.740 1.722 ( 4.292 1.194 4.919) 6.636 1.805 ( 2.753 3.640 -0.833) 4.640 1.900 ( 1.260 4.159 -2.808) 5.174 1.946 ( 0.607 -1.398 2.094) 2.590 2.036 ( 3.332 -0.128 1.243) 3.558 2.270 ( -1.490 0.689 -0.862) 1.854 2.330 ( -0.882 -0.087 2.892) 3.025 2.449 ( -3.814 1.351 3.215) 5.168 2.569 ( -4.030 -3.469 -1.112) 5.433 2.692 ( -0.838 0.845 -4.386) 4.545 2.764 ( 0.264 0.115 -4.797) 4.806 2.880 ( 0.009 2.791 -1.250) 3.058 3.066 ( -0.106 -3.430 -3.425) 4.849 3.581 ( -2.917 1.178 11.826) 12.237 3.655 ( -0.797 -1.834 9.673) 9.877 3.848 ( 4.059 2.089 -12.076) 12.910 3.925 ( 4.679 -1.007 -12.256) 13.157 5.343 ( -8.017 0.198 29.534) 30.603 5.355 ( -7.492 -0.245 29.337) 30.279 5.888 ( 6.920 0.397 -24.470) 25.433 5.911 ( 6.714 -0.460 -24.605) 25.509 7.158 ( -0.474 -0.639 2.110) 2.255 7.169 ( -0.160 -1.169 0.832) 1.444 7.228 ( -0.017 1.019 0.937) 1.385 7.234 ( 0.210 0.801 0.285) 0.875 7.953 ( -2.533 0.186 7.232) 7.665 7.967 ( -2.480 -0.346 7.810) 8.202 8.048 ( -0.546 0.319 0.656) 0.911 8.058 ( -0.993 -0.097 0.724) 1.233 9.510 ( -1.488 -0.039 4.909) 5.130 9.518 ( -1.146 -0.375 4.848) 4.995 9.661 ( 2.148 0.606 -7.602) 7.922 9.682 ( 2.106 -0.193 -7.554) 7.845 11.344 ( -0.535 0.336 1.337) 1.479 11.366 ( -0.199 -0.549 0.992) 1.151 11.419 ( 0.937 0.394 -4.051) 4.176 11.433 ( 1.165 -0.184 -3.950) 4.123 14.521 ( -0.893 0.189 3.068) 3.201 14.533 ( -0.918 -0.276 3.059) 3.206 14.586 ( 0.743 0.270 -2.983) 3.085 14.598 ( 0.753 -0.194 -3.093) 3.189 18.544 ( -1.832 0.580 5.778) 6.089 18.580 ( -1.832 -0.849 4.871) 5.273 18.629 ( 1.210 0.181 -4.132) 4.310 18.629 ( 0.419 0.266 -3.699) 3.732 20.429 ( -1.602 1.465 11.639) 11.840 20.508 ( 0.362 -1.360 9.895) 9.995 20.551 ( 2.239 2.065 -0.535) 3.093 20.665 ( 3.169 -2.091 -1.673) 4.149 22.232 ( -0.526 1.163 1.027) 1.638 22.282 ( 0.413 -0.491 -1.852) 1.960 22.410 ( -2.996 -0.190 -1.532) 3.370 22.434 ( -2.390 -0.887 -3.673) 4.471 ======================= Grid point 150 (86/96) ======================= q-point: (-0.57 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 1.787 3.649 -0.874) 4.156 1.146 ( -5.336 1.171 -4.987) 7.397 1.244 ( -2.680 -5.705 1.037) 6.388 1.291 ( -0.150 -4.209 -3.248) 5.318 1.498 ( -0.579 -1.129 2.136) 2.484 1.525 ( -0.280 -2.095 0.421) 2.155 1.766 ( 2.069 0.423 2.916) 3.600 1.792 ( 0.489 0.864 2.958) 3.120 1.852 ( 2.995 4.732 -1.242) 5.736 1.878 ( -2.891 4.757 0.701) 5.611 2.006 ( 4.583 1.364 3.890) 6.164 2.114 ( 0.528 -2.192 -0.270) 2.271 2.253 ( 1.630 -1.149 0.493) 2.054 2.300 ( -3.987 -1.260 2.772) 5.017 2.424 ( 0.035 0.399 1.596) 1.646 2.470 ( -4.275 -1.189 -0.451) 4.460 2.665 ( 0.586 1.816 -3.664) 4.131 2.746 ( 0.780 1.942 -7.384) 7.675 2.894 ( 1.580 -0.235 1.391) 2.118 3.022 ( -2.066 -3.163 -3.970) 5.481 3.588 ( -2.687 1.510 10.894) 11.322 3.685 ( -1.243 -2.517 8.392) 8.850 3.866 ( 3.962 2.310 -11.631) 12.503 3.944 ( 3.640 -1.007 -11.730) 12.323 5.344 ( -8.029 0.302 29.873) 30.934 5.362 ( -7.781 -0.366 29.436) 30.449 5.893 ( 6.806 0.312 -24.425) 25.358 5.909 ( 6.491 -0.316 -24.444) 25.293 7.159 ( -0.603 -0.606 2.108) 2.275 7.170 ( -0.221 -1.196 0.934) 1.533 7.232 ( -0.238 1.133 1.056) 1.567 7.240 ( 0.252 0.695 0.099) 0.746 7.948 ( -1.861 0.192 7.292) 7.528 7.967 ( -1.669 -0.526 7.184) 7.394 8.036 ( -0.846 0.365 0.423) 1.014 8.045 ( -0.628 0.002 0.914) 1.109 9.508 ( -1.311 0.105 4.927) 5.100 9.526 ( -0.867 -0.628 4.922) 5.037 9.659 ( 1.772 0.699 -7.512) 7.750 9.680 ( 1.855 -0.159 -7.559) 7.785 11.345 ( -0.075 0.375 1.257) 1.314 11.370 ( 0.068 -0.680 0.812) 1.061 11.413 ( 0.710 0.551 -3.944) 4.045 11.432 ( 0.899 -0.264 -3.929) 4.040 14.520 ( -0.813 0.178 3.087) 3.198 14.532 ( -0.859 -0.256 3.097) 3.224 14.585 ( 0.758 0.260 -3.021) 3.125 14.597 ( 0.771 -0.191 -3.100) 3.200 18.534 ( -2.030 0.387 5.162) 5.560 18.563 ( -2.206 -0.828 4.268) 4.875 18.625 ( 1.033 0.668 -3.100) 3.335 18.641 ( 2.123 -0.070 -3.855) 4.402 20.452 ( -2.408 2.161 10.702) 11.180 20.556 ( 1.069 -0.371 2.381) 2.636 20.606 ( 1.167 0.427 5.681) 5.815 20.717 ( 2.461 -2.354 -1.544) 3.739 22.239 ( 0.584 0.934 1.723) 2.045 22.286 ( 0.719 -0.623 -1.000) 1.380 22.342 ( -2.640 0.067 -1.659) 3.119 22.365 ( -1.885 -0.590 -4.332) 4.761 ======================= Grid point 151 (87/96) ======================= q-point: (-0.43 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.451 2.753 -2.605) 5.846 1.054 ( 3.484 1.795 3.258) 5.096 1.218 ( -1.006 -3.956 2.825) 4.964 1.287 ( 1.560 -5.226 -2.227) 5.891 1.486 ( -1.434 -0.499 2.705) 3.102 1.537 ( 0.741 -3.029 -0.190) 3.124 1.792 ( -1.098 0.987 2.752) 3.123 1.801 ( -0.591 -0.243 0.562) 0.851 1.818 ( -2.350 5.283 0.169) 5.785 1.902 ( 1.337 5.082 -0.956) 5.341 2.041 ( -5.493 -2.950 0.390) 6.247 2.108 ( 1.634 0.244 1.566) 2.276 2.226 ( -3.001 0.709 2.830) 4.185 2.316 ( 0.882 -2.494 1.704) 3.147 2.404 ( 2.021 1.196 0.100) 2.350 2.497 ( 4.194 -1.517 -0.058) 4.460 2.674 ( 1.523 2.985 -1.592) 3.710 2.714 ( 0.577 2.809 -7.750) 8.264 2.946 ( 1.534 -2.605 3.277) 4.458 2.953 ( -1.955 -2.377 -4.160) 5.175 3.590 ( -2.694 1.530 9.794) 10.272 3.693 ( -2.333 -2.652 7.852) 8.610 3.878 ( 3.734 2.002 -12.303) 13.012 3.941 ( 2.407 -0.714 -11.667) 11.934 5.345 ( -8.142 0.267 30.019) 31.105 5.364 ( -8.015 -0.433 29.519) 30.591 5.894 ( 6.649 0.252 -24.599) 25.483 5.906 ( 6.434 -0.194 -24.429) 25.263 7.156 ( -0.798 -0.460 2.198) 2.383 7.170 ( -0.391 -1.188 1.116) 1.676 7.231 ( -0.339 1.218 0.853) 1.525 7.244 ( 0.146 0.487 -0.051) 0.511 7.957 ( -1.321 0.196 7.422) 7.541 7.977 ( -1.088 -0.607 6.535) 6.653 8.025 ( -0.536 0.588 0.831) 1.151 8.042 ( -0.058 -0.145 0.542) 0.564 9.511 ( -1.171 0.187 5.066) 5.203 9.534 ( -1.015 -0.746 4.799) 4.961 9.654 ( 1.775 0.717 -7.342) 7.587 9.674 ( 1.621 -0.109 -7.636) 7.807 11.353 ( 0.212 0.320 1.162) 1.224 11.376 ( 0.159 -0.639 0.311) 0.728 11.406 ( 0.700 0.581 -3.549) 3.664 11.427 ( 0.710 -0.291 -3.915) 3.989 14.521 ( -0.747 0.166 3.079) 3.173 14.532 ( -0.778 -0.243 3.112) 3.217 14.584 ( 0.815 0.260 -3.051) 3.169 14.596 ( 0.838 -0.192 -3.090) 3.208 18.523 ( -1.789 0.212 5.086) 5.396 18.541 ( -2.273 -0.557 4.606) 5.167 18.637 ( 1.849 0.895 -3.538) 4.091 18.670 ( 2.808 -0.412 -4.357) 5.200 20.444 ( -3.841 2.676 9.612) 10.691 20.575 ( -0.222 -0.760 1.170) 1.413 20.639 ( -0.586 -0.008 3.435) 3.485 20.737 ( 0.749 -2.210 -3.416) 4.137 22.269 ( 0.379 0.181 1.018) 1.101 22.284 ( -0.733 -0.235 -0.921) 1.200 22.303 ( 0.640 0.614 -0.245) 0.920 22.341 ( 1.802 -0.725 -1.830) 2.668 ======================= Grid point 152 (88/96) ======================= q-point: (-0.29 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.094 4.757 1.286) 5.048 1.165 ( 4.151 -0.694 6.615) 7.840 1.234 ( 0.863 -3.614 2.836) 4.674 1.328 ( 2.945 -5.582 -0.364) 6.322 1.470 ( -1.891 0.118 2.908) 3.471 1.546 ( -0.289 -2.979 2.170) 3.697 1.747 ( -3.380 0.502 -1.330) 3.667 1.766 ( -2.992 0.134 0.760) 3.090 1.793 ( -1.902 5.598 0.821) 5.969 1.864 ( -3.790 4.560 0.243) 5.935 1.973 ( -0.508 -3.128 -0.529) 3.213 2.056 ( -4.286 -1.969 -0.295) 4.726 2.245 ( 1.273 2.027 1.828) 3.012 2.334 ( 0.766 1.044 1.504) 1.985 2.490 ( 5.183 -0.702 -1.382) 5.410 2.589 ( 4.393 -1.959 0.416) 4.828 2.695 ( 1.786 2.772 -5.875) 6.737 2.704 ( 1.538 2.991 -0.356) 3.382 2.907 ( 0.099 -1.476 -3.580) 3.873 2.983 ( -0.457 -3.093 4.678) 5.627 3.587 ( -2.713 1.299 9.064) 9.550 3.676 ( -3.683 -2.154 8.236) 9.275 3.881 ( 3.694 1.225 -13.803) 14.341 3.916 ( 1.640 -0.260 -12.015) 12.129 5.344 ( -8.269 0.214 29.817) 30.944 5.362 ( -8.155 -0.496 29.477) 30.588 5.893 ( 6.662 0.193 -24.776) 25.657 5.901 ( 6.414 -0.124 -24.683) 25.503 7.152 ( -0.844 -0.314 2.350) 2.517 7.167 ( -0.472 -1.131 1.292) 1.781 7.228 ( -0.342 1.188 0.546) 1.352 7.244 ( -0.098 0.343 -0.206) 0.412 7.973 ( -1.297 0.233 7.565) 7.678 7.991 ( -1.102 -0.508 6.551) 6.662 8.025 ( -0.002 0.646 1.054) 1.236 8.048 ( 0.400 -0.298 0.231) 0.550 9.514 ( -1.319 0.203 5.103) 5.275 9.537 ( -1.216 -0.722 4.793) 4.997 9.652 ( 2.027 0.544 -7.261) 7.558 9.664 ( 1.639 0.044 -7.713) 7.885 11.363 ( 0.090 0.222 1.082) 1.108 11.380 ( 0.049 -0.478 0.265) 0.549 11.403 ( 0.979 0.449 -3.546) 3.706 11.419 ( 0.731 -0.224 -3.872) 3.947 14.523 ( -0.738 0.161 3.051) 3.143 14.534 ( -0.739 -0.245 3.090) 3.186 14.584 ( 0.874 0.270 -3.049) 3.184 14.597 ( 0.902 -0.198 -3.071) 3.207 18.521 ( -1.245 0.009 5.456) 5.596 18.525 ( -1.944 -0.181 5.222) 5.575 18.656 ( 1.974 0.972 -4.271) 4.804 18.699 ( 2.531 -0.668 -5.334) 5.942 20.407 ( -4.721 2.720 9.385) 10.852 20.556 ( -2.884 -2.351 3.057) 4.815 20.621 ( -1.413 1.119 -1.406) 2.286 20.711 ( -0.638 -1.748 -5.843) 6.132 22.260 ( -0.457 0.248 0.203) 0.558 22.269 ( 0.349 0.106 -2.219) 2.249 22.367 ( 3.395 0.030 2.865) 4.443 22.392 ( 3.127 -0.739 0.146) 3.217 ======================= Grid point 153 (89/96) ======================= q-point: (-0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.866 5.282 5.502) 8.148 1.249 ( 1.270 -0.004 -0.545) 1.382 1.293 ( 2.717 -4.478 5.847) 7.850 1.381 ( -0.931 -7.747 3.842) 8.697 1.444 ( -0.155 1.801 3.458) 3.902 1.560 ( 0.142 -2.363 4.317) 4.923 1.672 ( -2.269 -0.058 -0.843) 2.421 1.690 ( -3.912 -0.040 0.089) 3.913 1.731 ( -3.237 4.029 -2.864) 5.909 1.813 ( -2.384 3.053 0.753) 3.946 1.975 ( -2.058 -0.903 1.905) 2.946 1.999 ( 1.662 -2.061 -3.147) 4.113 2.268 ( 0.414 2.584 1.096) 2.837 2.350 ( 0.208 2.215 0.148) 2.230 2.569 ( 2.823 -1.262 -1.539) 3.454 2.651 ( 2.179 -0.793 -3.199) 3.951 2.719 ( 2.382 3.352 -1.940) 4.547 2.744 ( 2.390 1.246 0.630) 2.768 2.923 ( 2.982 -1.927 -2.184) 4.168 2.977 ( -2.476 -2.643 4.764) 5.985 3.583 ( -2.589 0.914 9.133) 9.537 3.639 ( -4.571 -1.180 9.298) 10.428 3.874 ( 2.804 0.476 -14.164) 14.447 3.885 ( 2.704 0.056 -13.219) 13.493 5.339 ( -8.186 0.188 29.451) 30.568 5.357 ( -8.287 -0.500 29.372) 30.523 5.890 ( 6.500 0.128 -24.972) 25.804 5.897 ( 6.793 -0.107 -24.919) 25.828 7.150 ( -0.666 -0.297 2.476) 2.582 7.166 ( -0.392 -1.104 1.368) 1.801 7.223 ( -0.295 1.114 0.372) 1.211 7.239 ( -0.288 0.369 -0.311) 0.562 7.984 ( -1.813 0.273 7.660) 7.876 8.000 ( -1.899 -0.344 7.375) 7.624 8.035 ( 0.420 0.554 0.759) 1.030 8.059 ( 0.581 -0.397 0.110) 0.712 9.513 ( -1.499 0.291 5.122) 5.345 9.537 ( -1.429 -0.635 4.939) 5.181 9.652 ( 1.913 0.374 -7.579) 7.825 9.661 ( 2.341 0.021 -7.618) 7.970 11.366 ( -0.451 0.221 1.161) 1.266 11.380 ( -0.312 -0.321 0.806) 0.922 11.407 ( 1.466 0.212 -4.187) 4.441 11.416 ( 1.052 -0.119 -3.770) 3.916 14.525 ( -0.794 0.164 3.020) 3.127 14.536 ( -0.771 -0.259 3.049) 3.156 14.586 ( 0.891 0.282 -3.016) 3.157 14.598 ( 0.915 -0.203 -3.057) 3.197 18.521 ( -1.462 0.208 6.023) 6.201 18.533 ( -0.676 -0.220 6.040) 6.082 18.664 ( 1.297 0.877 -5.080) 5.316 18.707 ( 1.271 -0.717 -6.156) 6.326 20.369 ( -4.089 2.232 10.414) 11.408 20.499 ( -4.925 -2.766 6.641) 8.719 20.581 ( -0.672 1.756 -4.869) 5.219 20.658 ( -0.731 -1.270 -7.083) 7.233 22.257 ( -0.232 0.604 0.752) 0.992 22.273 ( 1.085 0.142 -2.180) 2.439 22.446 ( 2.667 -0.579 2.102) 3.445 22.455 ( 2.687 -0.763 0.447) 2.829 ======================= Grid point 154 (90/96) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 1.096 -6.290 4.718) 7.939 1.211 ( 1.096 6.290 4.718) 7.939 1.286 ( 0.244 -3.545 -1.528) 3.868 1.286 ( 0.244 3.545 -1.528) 3.868 1.522 ( 0.043 -2.081 7.276) 7.568 1.522 ( 0.043 2.081 7.276) 7.568 1.640 ( -2.909 -0.720 1.311) 3.271 1.640 ( -2.909 0.720 1.311) 3.271 1.724 ( 0.505 -2.184 -5.842) 6.258 1.724 ( 0.505 2.184 -5.842) 6.258 1.993 ( 0.999 -1.977 -0.186) 2.223 1.993 ( 0.999 1.977 -0.186) 2.223 2.361 ( -0.591 -2.118 4.462) 4.974 2.361 ( -0.591 2.118 4.462) 4.974 2.595 ( -0.185 -2.956 -5.122) 5.916 2.595 ( -0.185 2.956 -5.122) 5.916 2.798 ( -0.443 -1.807 0.674) 1.979 2.798 ( -0.443 1.807 0.674) 1.979 2.933 ( 2.163 -2.434 -0.909) 3.381 2.933 ( 2.163 2.434 -0.909) 3.381 3.595 ( -3.086 -0.566 10.073) 10.550 3.595 ( -3.086 0.566 10.073) 10.550 3.868 ( 3.336 -0.862 -13.426) 13.861 3.868 ( 3.336 0.862 -13.426) 13.861 5.343 ( -8.029 -0.322 29.337) 30.417 5.343 ( -8.029 0.322 29.337) 30.417 5.893 ( 6.817 -0.450 -25.022) 25.938 5.893 ( 6.817 0.450 -25.022) 25.938 7.150 ( -0.406 -0.344 1.746) 1.825 7.150 ( -0.406 0.344 1.746) 1.825 7.236 ( -0.156 -0.242 0.215) 0.360 7.236 ( -0.156 0.242 0.215) 0.360 7.989 ( -2.609 -0.327 7.702) 8.139 7.989 ( -2.609 0.327 7.702) 8.139 8.059 ( 0.259 -0.603 0.520) 0.837 8.059 ( 0.259 0.603 0.520) 0.837 9.521 ( -1.567 -0.569 4.939) 5.213 9.521 ( -1.567 0.569 4.939) 5.213 9.662 ( 2.339 -0.477 -7.598) 7.964 9.662 ( 2.339 0.477 -7.598) 7.964 11.367 ( -0.701 -0.433 1.117) 1.389 11.367 ( -0.701 0.433 1.117) 1.389 11.418 ( 1.453 -0.218 -4.035) 4.294 11.418 ( 1.453 0.218 -4.035) 4.294 14.529 ( -0.851 -0.301 2.967) 3.101 14.529 ( -0.851 0.301 2.967) 3.101 14.594 ( 0.847 -0.328 -2.968) 3.104 14.594 ( 0.847 0.328 -2.968) 3.104 18.544 ( -0.794 -0.689 6.549) 6.633 18.544 ( -0.794 0.689 6.549) 6.633 18.670 ( 0.334 -0.831 -5.778) 5.847 18.670 ( 0.334 0.831 -5.778) 5.847 20.405 ( -3.249 -2.201 11.166) 11.836 20.405 ( -3.249 2.201 11.166) 11.836 20.584 ( 0.369 -1.875 -6.050) 6.345 20.584 ( 0.369 1.875 -6.050) 6.345 22.275 ( 0.162 -0.811 -0.428) 0.931 22.275 ( 0.162 0.811 -0.428) 0.931 22.479 ( 0.729 -0.299 -0.115) 0.797 22.479 ( 0.729 0.299 -0.115) 0.797 ======================= Grid point 156 (91/96) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.607 -2.823 0.449) 3.869 1.205 ( -2.607 2.823 0.449) 3.869 1.283 ( 0.257 -4.936 -2.599) 5.584 1.283 ( 0.257 4.936 -2.599) 5.584 1.541 ( -2.874 -0.995 3.138) 4.370 1.541 ( -2.874 0.995 3.138) 4.370 1.619 ( 2.401 -0.692 4.380) 5.043 1.619 ( 2.401 0.692 4.380) 5.043 1.780 ( 5.322 -1.999 -1.380) 5.850 1.780 ( 5.322 1.999 -1.380) 5.850 2.001 ( 0.334 -2.173 -1.580) 2.708 2.001 ( 0.334 2.173 -1.580) 2.708 2.352 ( -2.698 -0.953 4.043) 4.953 2.352 ( -2.698 0.953 4.043) 4.953 2.549 ( -1.924 -3.320 -2.547) 4.606 2.549 ( -1.924 3.320 -2.547) 4.606 2.768 ( -1.856 -2.133 -1.096) 3.032 2.768 ( -1.856 2.133 -1.096) 3.032 2.970 ( 1.990 -4.545 -2.949) 5.772 2.970 ( 1.990 4.545 -2.949) 5.772 3.598 ( -2.355 -0.987 10.736) 11.036 3.598 ( -2.355 0.987 10.736) 11.036 3.873 ( 4.188 -1.489 -12.696) 13.452 3.873 ( 4.188 1.489 -12.696) 13.452 5.344 ( -7.774 -0.046 29.313) 30.326 5.344 ( -7.774 0.046 29.313) 30.326 5.895 ( 6.922 -0.642 -24.824) 25.779 5.895 ( 6.922 0.642 -24.824) 25.779 7.151 ( -0.357 -0.297 1.590) 1.657 7.151 ( -0.357 0.297 1.590) 1.657 7.237 ( 0.067 -0.156 0.450) 0.481 7.237 ( 0.067 0.156 0.450) 0.481 7.974 ( -2.910 -0.289 7.655) 8.195 7.974 ( -2.910 0.289 7.655) 8.195 8.062 ( -0.308 -0.487 0.692) 0.901 8.062 ( -0.308 0.487 0.692) 0.901 9.515 ( -1.579 -0.344 4.781) 5.046 9.515 ( -1.579 0.344 4.781) 5.046 9.669 ( 2.404 -0.555 -7.494) 7.890 9.669 ( 2.404 0.555 -7.494) 7.890 11.359 ( -0.698 -0.481 1.140) 1.420 11.359 ( -0.698 0.481 1.140) 1.420 11.424 ( 1.341 -0.277 -3.997) 4.225 11.424 ( 1.341 0.277 -3.997) 4.225 14.528 ( -0.905 -0.316 2.985) 3.135 14.528 ( -0.905 0.316 2.985) 3.135 14.594 ( 0.777 -0.322 -2.974) 3.090 14.594 ( 0.777 0.322 -2.974) 3.090 18.561 ( -1.221 -0.935 6.312) 6.497 18.561 ( -1.221 0.935 6.312) 6.497 18.644 ( 0.311 -0.413 -5.068) 5.094 18.644 ( 0.311 0.413 -5.068) 5.094 20.423 ( -1.564 -1.495 12.410) 12.597 20.423 ( -1.564 1.495 12.410) 12.597 20.577 ( 1.836 -2.378 -4.358) 5.293 20.577 ( 1.836 2.378 -4.358) 5.293 22.271 ( -0.296 -1.176 -0.491) 1.308 22.271 ( -0.296 1.176 -0.491) 1.308 22.467 ( -1.319 -0.567 -1.555) 2.116 22.467 ( -1.319 0.567 -1.555) 2.116 ======================= Grid point 158 (92/96) ======================= q-point: ( 0.29 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.583 -7.766 -2.543) 8.570 1.141 ( -2.583 7.766 -2.543) 8.570 1.258 ( -1.247 -1.231 -2.726) 3.241 1.258 ( -1.247 1.231 -2.726) 3.241 1.508 ( -1.494 -1.232 1.830) 2.664 1.508 ( -1.494 1.232 1.830) 2.664 1.712 ( 3.237 -1.172 4.516) 5.678 1.712 ( 3.237 1.172 4.516) 5.678 1.885 ( 4.565 -3.348 0.373) 5.674 1.885 ( 4.565 3.348 0.373) 5.674 2.002 ( 1.068 -3.272 -1.012) 3.588 2.002 ( 1.068 3.272 -1.012) 3.588 2.304 ( -3.385 -2.018 2.395) 4.612 2.304 ( -3.385 2.018 2.395) 4.612 2.495 ( -2.912 -2.995 0.492) 4.207 2.495 ( -2.912 2.995 0.492) 4.207 2.730 ( -0.384 -2.319 -3.121) 3.907 2.730 ( -0.384 2.319 -3.121) 3.907 2.972 ( 0.049 -4.991 -3.687) 6.206 2.972 ( 0.049 4.991 -3.687) 6.206 3.614 ( -1.850 -1.823 10.268) 10.592 3.614 ( -1.850 1.823 10.268) 10.592 3.893 ( 4.339 -1.918 -11.766) 12.687 3.893 ( 4.339 1.918 -11.766) 12.687 5.349 ( -7.749 -0.311 29.449) 30.453 5.349 ( -7.749 0.311 29.449) 30.453 5.899 ( 6.842 -0.605 -24.578) 25.520 5.899 ( 6.842 0.605 -24.578) 25.520 7.153 ( -0.333 -0.260 1.475) 1.534 7.153 ( -0.333 0.260 1.475) 1.534 7.242 ( 0.108 -0.145 0.629) 0.654 7.242 ( 0.108 0.145 0.629) 0.654 7.959 ( -2.535 -0.359 7.432) 7.860 7.959 ( -2.535 0.359 7.432) 7.860 8.054 ( -0.751 -0.277 0.789) 1.123 8.054 ( -0.751 0.277 0.789) 1.123 9.511 ( -1.308 -0.188 4.666) 4.849 9.511 ( -1.308 0.188 4.666) 4.849 9.674 ( 2.115 -0.515 -7.340) 7.656 9.674 ( 2.115 0.515 -7.340) 7.656 11.354 ( -0.385 -0.569 1.117) 1.312 11.354 ( -0.385 0.569 1.117) 1.312 11.427 ( 1.066 -0.353 -3.965) 4.121 11.427 ( 1.066 0.353 -3.965) 4.121 14.526 ( -0.891 -0.313 3.023) 3.168 14.526 ( -0.891 0.313 3.023) 3.168 14.593 ( 0.735 -0.313 -2.997) 3.102 14.593 ( 0.735 0.313 -2.997) 3.102 18.561 ( -1.838 -0.901 5.010) 5.412 18.561 ( -1.838 0.901 5.010) 5.412 18.632 ( 0.814 -0.045 -3.601) 3.693 18.632 ( 0.814 0.045 -3.601) 3.693 20.469 ( -0.781 -2.074 11.902) 12.106 20.469 ( -0.781 2.074 11.902) 12.106 20.608 ( 2.816 -3.019 -2.288) 4.720 20.608 ( 2.816 3.019 -2.288) 4.720 22.262 ( -0.231 -1.376 -0.235) 1.415 22.262 ( -0.231 1.376 -0.235) 1.415 22.415 ( -2.456 -0.703 -2.758) 3.759 22.415 ( -2.456 0.703 -2.758) 3.759 ======================= Grid point 160 (93/96) ======================= q-point: (-0.57 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.168 -6.115 -0.583) 6.252 1.092 ( -1.168 6.115 -0.583) 6.252 1.208 ( -1.738 -3.100 -3.529) 5.008 1.208 ( -1.738 3.100 -3.529) 5.008 1.495 ( -0.710 -0.709 1.335) 1.670 1.495 ( -0.710 0.709 1.335) 1.670 1.777 ( 1.268 -0.825 2.359) 2.802 1.777 ( 1.268 0.825 2.359) 2.802 1.942 ( 0.337 -1.315 1.935) 2.364 1.942 ( 0.337 1.315 1.935) 2.364 2.049 ( 3.187 -3.332 -0.400) 4.629 2.049 ( 3.187 3.332 -0.400) 4.629 2.256 ( -2.171 -1.809 1.420) 3.163 2.256 ( -2.171 1.809 1.420) 3.163 2.444 ( -2.134 -1.255 1.415) 2.852 2.444 ( -2.134 1.255 1.415) 2.852 2.726 ( 1.588 -3.081 -3.511) 4.934 2.726 ( 1.588 3.081 -3.511) 4.934 2.940 ( -1.057 -3.960 -3.320) 5.274 2.940 ( -1.057 3.960 -3.320) 5.274 3.630 ( -1.936 -2.407 9.277) 9.777 3.630 ( -1.936 2.407 9.277) 9.777 3.913 ( 3.727 -1.946 -11.307) 12.063 3.913 ( 3.727 1.946 -11.307) 12.063 5.353 ( -7.935 -0.466 29.686) 30.731 5.353 ( -7.935 0.466 29.686) 30.731 5.901 ( 6.681 -0.441 -24.469) 25.368 5.901 ( 6.681 0.441 -24.469) 25.368 7.154 ( -0.373 -0.261 1.458) 1.527 7.154 ( -0.373 0.261 1.458) 1.527 7.246 ( -0.028 -0.190 0.652) 0.679 7.246 ( -0.028 0.190 0.652) 0.679 7.955 ( -1.765 -0.457 7.067) 7.298 7.955 ( -1.765 0.457 7.067) 7.298 8.043 ( -0.745 -0.207 0.838) 1.141 8.043 ( -0.745 0.207 0.838) 1.141 9.513 ( -1.036 -0.443 4.662) 4.797 9.513 ( -1.036 0.443 4.662) 4.797 9.673 ( 1.766 -0.535 -7.257) 7.488 9.673 ( 1.766 0.535 -7.257) 7.488 11.356 ( -0.005 -0.643 0.995) 1.184 11.356 ( -0.005 0.643 0.995) 1.184 11.424 ( 0.803 -0.474 -3.902) 4.012 11.424 ( 0.803 0.474 -3.902) 4.012 14.525 ( -0.824 -0.293 3.054) 3.177 14.525 ( -0.824 0.293 3.054) 3.177 14.591 ( 0.753 -0.305 -3.022) 3.129 14.591 ( 0.753 0.305 -3.022) 3.129 18.546 ( -2.052 -0.707 4.432) 4.935 18.546 ( -2.052 0.707 4.432) 4.935 18.637 ( 1.501 -0.370 -3.188) 3.544 18.637 ( 1.501 0.370 -3.188) 3.544 20.510 ( -1.381 -3.013 10.178) 10.704 20.510 ( -1.381 3.013 10.178) 10.704 20.654 ( 2.456 -3.195 -1.586) 4.331 20.654 ( 2.456 3.195 -1.586) 4.331 22.264 ( 0.435 -1.273 0.668) 1.502 22.264 ( 0.435 1.273 0.668) 1.502 22.350 ( -2.000 -0.657 -3.284) 3.901 22.350 ( -2.000 0.657 -3.284) 3.901 ======================= Grid point 162 (94/96) ======================= q-point: (-0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.293 -1.934 1.822) 2.955 1.075 ( -1.293 1.934 1.822) 2.955 1.180 ( 1.132 -2.893 -1.497) 3.448 1.180 ( 1.132 2.893 -1.497) 3.448 1.493 ( -0.278 -1.192 1.421) 1.875 1.493 ( -0.278 1.192 1.421) 1.875 1.794 ( -0.314 -0.089 0.626) 0.706 1.794 ( -0.314 0.089 0.626) 0.706 1.928 ( -2.460 -3.763 2.429) 5.110 1.928 ( -2.460 3.763 2.429) 5.110 2.060 ( -2.718 -4.461 -0.454) 5.243 2.060 ( -2.718 4.461 -0.454) 5.243 2.256 ( 1.846 -2.596 0.990) 3.336 2.256 ( 1.846 2.596 0.990) 3.336 2.451 ( 2.230 -2.610 1.140) 3.617 2.451 ( 2.230 2.610 1.140) 3.617 2.739 ( 1.528 -1.652 -4.475) 5.008 2.739 ( 1.528 1.652 -4.475) 5.008 2.909 ( -0.479 -0.515 -0.827) 1.086 2.909 ( -0.479 0.515 -0.827) 1.086 3.635 ( -2.426 -2.592 8.503) 9.215 3.635 ( -2.426 2.592 8.503) 9.215 3.917 ( 2.923 -1.542 -11.568) 12.031 3.917 ( 2.923 1.542 -11.568) 12.031 5.353 ( -8.137 -0.483 29.827) 30.921 5.353 ( -8.137 0.483 29.827) 30.921 5.900 ( 6.564 -0.308 -24.545) 25.409 5.900 ( 6.564 0.308 -24.545) 25.409 7.153 ( -0.494 -0.292 1.512) 1.617 7.153 ( -0.494 0.292 1.512) 1.617 7.248 ( -0.183 -0.301 0.536) 0.642 7.248 ( -0.183 0.301 0.536) 0.642 7.965 ( -1.134 -0.491 6.776) 6.888 7.965 ( -1.134 0.491 6.776) 6.888 8.036 ( -0.358 -0.430 0.886) 1.048 8.036 ( -0.358 0.430 0.886) 1.048 9.519 ( -1.012 -0.576 4.624) 4.769 9.519 ( -1.012 0.576 4.624) 4.769 9.668 ( 1.629 -0.501 -7.184) 7.384 9.668 ( 1.629 0.501 -7.184) 7.384 11.363 ( 0.188 -0.564 0.764) 0.968 11.363 ( 0.188 0.564 0.764) 0.968 11.418 ( 0.699 -0.504 -3.758) 3.855 11.418 ( 0.699 0.504 -3.758) 3.855 14.526 ( -0.753 -0.275 3.055) 3.158 14.526 ( -0.753 0.275 3.055) 3.158 14.590 ( 0.816 -0.307 -3.030) 3.153 14.590 ( 0.816 0.307 -3.030) 3.153 18.530 ( -1.938 -0.452 4.666) 5.073 18.530 ( -1.938 0.452 4.666) 5.073 18.656 ( 2.224 -0.831 -3.744) 4.434 18.656 ( 2.224 0.831 -3.744) 4.434 20.517 ( -3.068 -3.766 8.479) 9.772 20.517 ( -3.068 3.766 8.479) 9.772 20.679 ( 1.065 -2.904 -2.977) 4.293 20.679 ( 1.065 2.904 -2.977) 4.293 22.276 ( -0.412 -0.420 0.551) 0.806 22.276 ( -0.412 0.420 0.551) 0.806 22.322 ( 1.434 -1.004 -1.555) 2.342 22.322 ( 1.434 1.004 -1.555) 2.342 ======================= Grid point 164 (95/96) ======================= q-point: (-0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.397 -6.751 3.820) 7.767 1.076 ( 0.397 6.751 3.820) 7.767 1.226 ( 2.850 -2.942 0.561) 4.135 1.226 ( 2.850 2.942 0.561) 4.135 1.495 ( -0.710 -1.863 2.748) 3.395 1.495 ( -0.710 1.863 2.748) 3.395 1.760 ( -3.448 -0.655 -0.009) 3.509 1.760 ( -3.448 0.655 -0.009) 3.509 1.889 ( -2.194 -3.008 0.061) 3.724 1.889 ( -2.194 3.008 0.061) 3.724 1.982 ( -3.476 -4.245 1.227) 5.622 1.982 ( -3.476 4.245 1.227) 5.622 2.306 ( 2.045 -3.084 0.228) 3.708 2.306 ( 2.045 3.084 0.228) 3.708 2.526 ( 4.299 -3.327 -0.028) 5.436 2.526 ( 4.299 3.327 -0.028) 5.436 2.743 ( 1.830 -0.687 -4.676) 5.068 2.743 ( 1.830 0.687 -4.676) 5.068 2.909 ( -0.224 -2.627 1.930) 3.267 2.909 ( -0.224 2.627 1.930) 3.267 3.626 ( -2.971 -2.300 8.320) 9.129 3.626 ( -2.971 2.300 8.320) 9.129 3.905 ( 2.413 -0.848 -12.432) 12.693 3.905 ( 2.413 0.848 -12.432) 12.693 5.351 ( -8.263 -0.485 29.729) 30.860 5.351 ( -8.263 0.485 29.729) 30.860 5.897 ( 6.540 -0.217 -24.762) 25.612 5.897 ( 6.540 0.217 -24.762) 25.612 7.151 ( -0.568 -0.346 1.641) 1.770 7.151 ( -0.568 0.346 1.641) 1.770 7.245 ( -0.296 -0.377 0.323) 0.578 7.245 ( -0.296 0.377 0.323) 0.578 7.981 ( -1.098 -0.472 6.919) 7.021 7.981 ( -1.098 0.472 6.919) 7.021 8.038 ( 0.111 -0.583 0.778) 0.978 8.038 ( 0.111 0.583 0.778) 0.978 9.522 ( -1.151 -0.594 4.635) 4.813 9.522 ( -1.151 0.594 4.635) 4.813 9.662 ( 1.722 -0.293 -7.193) 7.402 9.662 ( 1.722 0.293 -7.193) 7.402 11.370 ( 0.095 -0.412 0.674) 0.795 11.370 ( 0.095 0.412 0.674) 0.795 11.413 ( 0.832 -0.396 -3.703) 3.816 11.413 ( 0.832 0.396 -3.703) 3.816 14.528 ( -0.729 -0.272 3.025) 3.124 14.528 ( -0.729 0.272 3.025) 3.124 14.591 ( 0.877 -0.316 -3.014) 3.155 14.591 ( 0.877 0.316 -3.014) 3.155 18.522 ( -1.517 -0.103 5.254) 5.470 18.522 ( -1.517 0.103 5.254) 5.470 18.679 ( 2.167 -1.124 -4.681) 5.279 18.679 ( 2.167 1.124 -4.681) 5.279 20.482 ( -4.605 -3.978 7.939) 10.003 20.482 ( -4.605 3.978 7.939) 10.003 20.664 ( -0.230 -2.443 -5.132) 5.688 20.664 ( -0.230 2.443 -5.132) 5.688 22.266 ( -0.014 -0.308 -0.526) 0.609 22.266 ( -0.014 0.308 -0.526) 0.609 22.375 ( 3.138 -0.713 1.005) 3.371 22.375 ( 3.138 0.713 1.005) 3.371 ======================= Grid point 166 (96/96) ======================= q-point: (-0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 2.518 -8.400 5.820) 10.525 1.136 ( 2.518 8.400 5.820) 10.525 1.276 ( 1.671 -2.674 -0.450) 3.185 1.276 ( 1.671 2.674 -0.450) 3.185 1.499 ( -0.903 -3.015 5.202) 6.080 1.499 ( -0.903 3.015 5.202) 6.080 1.682 ( -3.260 -0.655 0.286) 3.338 1.682 ( -3.260 0.655 0.286) 3.338 1.811 ( -4.250 -2.864 -3.593) 6.259 1.811 ( -4.250 2.864 -3.593) 6.259 1.969 ( 0.685 -0.651 1.393) 1.684 1.969 ( 0.685 0.651 1.393) 1.684 2.338 ( 0.788 -3.099 2.083) 3.816 2.338 ( 0.788 3.099 2.083) 3.816 2.595 ( 2.828 -3.224 -3.490) 5.529 2.595 ( 2.828 3.224 -3.490) 5.529 2.772 ( 2.592 -0.714 -1.745) 3.205 2.772 ( 2.592 0.714 -1.745) 3.205 2.913 ( -0.343 -2.139 2.099) 3.017 2.913 ( -0.343 2.139 2.099) 3.017 3.609 ( -3.317 -1.485 8.927) 9.638 3.609 ( -3.317 1.485 8.927) 9.638 3.883 ( 2.551 -0.283 -13.307) 13.553 3.883 ( 2.551 0.283 -13.307) 13.553 5.346 ( -8.250 -0.472 29.501) 30.636 5.346 ( -8.250 0.472 29.501) 30.636 5.894 ( 6.635 -0.173 -24.986) 25.852 5.894 ( 6.635 0.173 -24.986) 25.852 7.149 ( -0.505 -0.369 1.765) 1.873 7.149 ( -0.505 0.369 1.765) 1.873 7.240 ( -0.317 -0.351 0.159) 0.499 7.240 ( -0.317 0.351 0.159) 0.499 7.992 ( -1.794 -0.420 7.458) 7.683 7.992 ( -1.794 0.420 7.458) 7.683 8.048 ( 0.436 -0.640 0.491) 0.917 8.048 ( 0.436 0.640 0.491) 0.917 9.523 ( -1.344 -0.625 4.838) 5.059 9.523 ( -1.344 0.625 4.838) 5.059 9.659 ( 1.998 -0.233 -7.421) 7.689 9.659 ( 1.998 0.233 -7.421) 7.689 11.373 ( -0.327 -0.362 0.949) 1.067 11.373 ( -0.327 0.362 0.949) 1.067 11.412 ( 1.215 -0.211 -3.940) 4.128 11.412 ( 1.215 0.211 -3.940) 4.128 14.530 ( -0.772 -0.282 2.986) 3.097 14.530 ( -0.772 0.282 2.986) 3.097 14.592 ( 0.891 -0.326 -2.986) 3.133 14.592 ( 0.891 0.326 -2.986) 3.133 18.527 ( -1.015 -0.304 6.003) 6.096 18.527 ( -1.015 0.304 6.003) 6.096 18.686 ( 1.227 -1.119 -5.552) 5.795 18.686 ( 1.227 1.119 -5.552) 5.795 20.431 ( -4.676 -3.352 9.121) 10.784 20.431 ( -4.676 3.352 9.121) 10.784 20.622 ( -0.504 -1.995 -6.377) 6.701 20.622 ( -0.504 1.995 -6.377) 6.701 22.270 ( 0.459 -0.468 -0.397) 0.766 22.270 ( 0.459 0.468 -0.397) 0.766 22.441 ( 2.578 -0.309 0.985) 2.777 22.441 ( 2.578 0.309 0.985) 2.777 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/15120 10.0 25.268 22.859 19.734 0.000 -0.314 0.000 3/15120 20.0 6.037 5.419 7.880 0.000 -0.567 0.000 3/15120 30.0 3.217 2.877 5.143 0.000 -0.558 0.000 3/15120 40.0 2.211 1.959 3.987 0.000 -0.516 0.000 3/15120 50.0 1.703 1.491 3.392 0.000 -0.492 0.000 3/15120 60.0 1.398 1.207 3.053 0.000 -0.482 0.000 3/15120 70.0 1.194 1.016 2.836 0.000 -0.479 0.000 3/15120 80.0 1.047 0.878 2.677 0.000 -0.475 0.000 3/15120 90.0 0.936 0.774 2.546 0.000 -0.469 0.000 3/15120 100.0 0.848 0.693 2.428 0.000 -0.461 0.000 3/15120 110.0 0.776 0.627 2.320 0.000 -0.451 0.000 3/15120 120.0 0.716 0.573 2.218 0.000 -0.438 0.000 3/15120 130.0 0.665 0.527 2.122 0.000 -0.425 0.000 3/15120 140.0 0.621 0.489 2.031 0.000 -0.412 0.000 3/15120 150.0 0.582 0.456 1.945 0.000 -0.398 0.000 3/15120 160.0 0.548 0.427 1.865 0.000 -0.384 0.000 3/15120 170.0 0.518 0.401 1.789 0.000 -0.371 0.000 3/15120 180.0 0.491 0.379 1.719 0.000 -0.358 0.000 3/15120 190.0 0.467 0.359 1.653 0.000 -0.346 0.000 3/15120 200.0 0.445 0.341 1.591 0.000 -0.335 0.000 3/15120 210.0 0.425 0.324 1.534 0.000 -0.323 0.000 3/15120 220.0 0.407 0.310 1.480 0.000 -0.313 0.000 3/15120 230.0 0.390 0.296 1.429 0.000 -0.303 0.000 3/15120 240.0 0.375 0.284 1.381 0.000 -0.294 0.000 3/15120 250.0 0.361 0.273 1.337 0.000 -0.285 0.000 3/15120 260.0 0.348 0.262 1.295 0.000 -0.276 0.000 3/15120 270.0 0.336 0.253 1.255 0.000 -0.268 0.000 3/15120 280.0 0.324 0.244 1.218 0.000 -0.261 0.000 3/15120 290.0 0.314 0.235 1.183 0.000 -0.254 0.000 3/15120 300.0 0.304 0.228 1.150 0.000 -0.247 0.000 3/15120 310.0 0.294 0.220 1.118 0.000 -0.240 0.000 3/15120 320.0 0.286 0.214 1.089 0.000 -0.234 0.000 3/15120 330.0 0.277 0.207 1.060 0.000 -0.228 0.000 3/15120 340.0 0.270 0.201 1.033 0.000 -0.223 0.000 3/15120 350.0 0.262 0.195 1.008 0.000 -0.217 0.000 3/15120 360.0 0.255 0.190 0.984 0.000 -0.212 0.000 3/15120 370.0 0.249 0.185 0.960 0.000 -0.207 0.000 3/15120 380.0 0.243 0.180 0.938 0.000 -0.203 0.000 3/15120 390.0 0.237 0.176 0.917 0.000 -0.198 0.000 3/15120 400.0 0.231 0.171 0.897 0.000 -0.194 0.000 3/15120 410.0 0.226 0.167 0.877 0.000 -0.190 0.000 3/15120 420.0 0.220 0.163 0.859 0.000 -0.186 0.000 3/15120 430.0 0.216 0.160 0.841 0.000 -0.182 0.000 3/15120 440.0 0.211 0.156 0.824 0.000 -0.178 0.000 3/15120 450.0 0.206 0.153 0.807 0.000 -0.175 0.000 3/15120 460.0 0.202 0.149 0.792 0.000 -0.172 0.000 3/15120 470.0 0.198 0.146 0.777 0.000 -0.168 0.000 3/15120 480.0 0.194 0.143 0.762 0.000 -0.165 0.000 3/15120 490.0 0.190 0.140 0.748 0.000 -0.162 0.000 3/15120 500.0 0.187 0.138 0.734 0.000 -0.159 0.000 3/15120 510.0 0.183 0.135 0.721 0.000 -0.157 0.000 3/15120 520.0 0.180 0.132 0.709 0.000 -0.154 0.000 3/15120 530.0 0.176 0.130 0.696 0.000 -0.151 0.000 3/15120 540.0 0.173 0.128 0.685 0.000 -0.149 0.000 3/15120 550.0 0.170 0.125 0.673 0.000 -0.146 0.000 3/15120 560.0 0.167 0.123 0.662 0.000 -0.144 0.000 3/15120 570.0 0.164 0.121 0.651 0.000 -0.142 0.000 3/15120 580.0 0.162 0.119 0.641 0.000 -0.139 0.000 3/15120 590.0 0.159 0.117 0.631 0.000 -0.137 0.000 3/15120 600.0 0.156 0.115 0.621 0.000 -0.135 0.000 3/15120 610.0 0.154 0.113 0.612 0.000 -0.133 0.000 3/15120 620.0 0.152 0.111 0.603 0.000 -0.131 0.000 3/15120 630.0 0.149 0.110 0.594 0.000 -0.129 0.000 3/15120 640.0 0.147 0.108 0.585 0.000 -0.127 0.000 3/15120 650.0 0.145 0.106 0.577 0.000 -0.126 0.000 3/15120 660.0 0.143 0.105 0.569 0.000 -0.124 0.000 3/15120 670.0 0.141 0.103 0.561 0.000 -0.122 0.000 3/15120 680.0 0.139 0.102 0.553 0.000 -0.120 0.000 3/15120 690.0 0.137 0.100 0.546 0.000 -0.119 0.000 3/15120 700.0 0.135 0.099 0.539 0.000 -0.117 0.000 3/15120 710.0 0.133 0.097 0.531 0.000 -0.116 0.000 3/15120 720.0 0.131 0.096 0.525 0.000 -0.114 0.000 3/15120 730.0 0.129 0.095 0.518 0.000 -0.113 0.000 3/15120 740.0 0.128 0.094 0.511 0.000 -0.111 0.000 3/15120 750.0 0.126 0.092 0.505 0.000 -0.110 0.000 3/15120 760.0 0.124 0.091 0.499 0.000 -0.109 0.000 3/15120 770.0 0.123 0.090 0.493 0.000 -0.107 0.000 3/15120 780.0 0.121 0.089 0.487 0.000 -0.106 0.000 3/15120 790.0 0.120 0.088 0.481 0.000 -0.105 0.000 3/15120 800.0 0.118 0.087 0.475 0.000 -0.104 0.000 3/15120 810.0 0.117 0.086 0.470 0.000 -0.102 0.000 3/15120 820.0 0.116 0.085 0.464 0.000 -0.101 0.000 3/15120 830.0 0.114 0.084 0.459 0.000 -0.100 0.000 3/15120 840.0 0.113 0.083 0.454 0.000 -0.099 0.000 3/15120 850.0 0.112 0.082 0.449 0.000 -0.098 0.000 3/15120 860.0 0.110 0.081 0.444 0.000 -0.097 0.000 3/15120 870.0 0.109 0.080 0.439 0.000 -0.096 0.000 3/15120 880.0 0.108 0.079 0.434 0.000 -0.095 0.000 3/15120 890.0 0.107 0.078 0.430 0.000 -0.094 0.000 3/15120 900.0 0.106 0.077 0.425 0.000 -0.093 0.000 3/15120 910.0 0.104 0.076 0.421 0.000 -0.092 0.000 3/15120 920.0 0.103 0.075 0.416 0.000 -0.091 0.000 3/15120 930.0 0.102 0.075 0.412 0.000 -0.090 0.000 3/15120 940.0 0.101 0.074 0.408 0.000 -0.089 0.000 3/15120 950.0 0.100 0.073 0.404 0.000 -0.088 0.000 3/15120 960.0 0.099 0.072 0.400 0.000 -0.087 0.000 3/15120 970.0 0.098 0.072 0.396 0.000 -0.086 0.000 3/15120 980.0 0.097 0.071 0.392 0.000 -0.086 0.000 3/15120 990.0 0.096 0.070 0.388 0.000 -0.085 0.000 3/15120 1000.0 0.095 0.070 0.385 0.000 -0.084 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m749.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|