----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:17:33]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.587827470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): *1 Lu 0.88594225006719 0.25000000000000 0.77797331450112 174.967 *2 Lu 0.86489387770546 0.25000000000000 0.44459130164164 174.967 3 Lu 0.63510612229454 0.75000000000000 0.94459130164164 174.967 4 Lu 0.61405774993281 0.75000000000000 0.27797331450112 174.967 5 Lu 0.38594225006719 0.25000000000000 0.72202668549888 174.967 6 Lu 0.36489387770546 0.25000000000000 0.05540869835836 174.967 7 Lu 0.13510612229454 0.75000000000000 0.55540869835836 174.967 8 Lu 0.11405774993281 0.75000000000000 0.22202668549888 174.967 *9 Ge 0.82797697307987 0.25000000000000 0.11944572333839 72.640 10 Ge 0.67202302692013 0.75000000000000 0.61944572333839 72.640 11 Ge 0.32797697307987 0.25000000000000 0.38055427666161 72.640 12 Ge 0.17202302692013 0.75000000000000 0.88055427666161 72.640 *13 O 0.00714122476936 0.25000000000000 0.60551428537045 15.999 *14 O 0.99854378761954 0.25000000000000 0.15388504099034 15.999 *15 O 0.76563331883074 0.75000000000000 0.11724481534221 15.999 *16 O 0.75393581042584 0.75000000000000 0.77096729449246 15.999 *17 O 0.77557810381120 0.25000000000000 0.95920888275278 15.999 18 O 0.72442189618880 0.75000000000000 0.45920888275277 15.999 19 O 0.74606418957416 0.25000000000000 0.27096729449246 15.999 20 O 0.73436668116926 0.25000000000000 0.61724481534221 15.999 21 O 0.50145621238046 0.75000000000000 0.65388504099034 15.999 22 O 0.49285877523064 0.75000000000000 0.10551428537045 15.999 23 O 0.50714122476936 0.25000000000000 0.89448571462955 15.999 24 O 0.49854378761954 0.25000000000000 0.34611495900966 15.999 25 O 0.26563331883074 0.75000000000000 0.38275518465779 15.999 26 O 0.25393581042584 0.75000000000000 0.72903270550754 15.999 27 O 0.27557810381120 0.25000000000000 0.54079111724722 15.999 28 O 0.22442189618880 0.75000000000000 0.04079111724722 15.999 29 O 0.24606418957416 0.25000000000000 0.22903270550754 15.999 30 O 0.23436668116926 0.25000000000000 0.88275518465779 15.999 31 O 0.00145621238046 0.75000000000000 0.84611495900966 15.999 32 O 0.99285877523064 0.75000000000000 0.39448571462955 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.587827470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): *1 Lu 0.88594225006719 0.25000000000000 0.77797331450112 174.967 > 1 *2 Lu 0.86489387770546 0.25000000000000 0.44459130164164 174.967 > 2 3 Lu 0.63510612229454 0.75000000000000 0.94459130164164 174.967 > 3 4 Lu 0.61405774993281 0.75000000000000 0.27797331450112 174.967 > 4 5 Lu 0.38594225006719 0.25000000000000 0.72202668549888 174.967 > 5 6 Lu 0.36489387770546 0.25000000000000 0.05540869835836 174.967 > 6 7 Lu 0.13510612229454 0.75000000000000 0.55540869835836 174.967 > 7 8 Lu 0.11405774993281 0.75000000000000 0.22202668549888 174.967 > 8 *9 Ge 0.82797697307987 0.25000000000000 0.11944572333839 72.640 > 9 10 Ge 0.67202302692013 0.75000000000000 0.61944572333839 72.640 > 10 11 Ge 0.32797697307987 0.25000000000000 0.38055427666161 72.640 > 11 12 Ge 0.17202302692013 0.75000000000000 0.88055427666161 72.640 > 12 *13 O 0.00714122476936 0.25000000000000 0.60551428537045 15.999 > 13 *14 O 0.99854378761954 0.25000000000000 0.15388504099034 15.999 > 14 *15 O 0.76563331883074 0.75000000000000 0.11724481534221 15.999 > 15 *16 O 0.75393581042584 0.75000000000000 0.77096729449246 15.999 > 16 *17 O 0.77557810381120 0.25000000000000 0.95920888275278 15.999 > 17 18 O 0.72442189618880 0.75000000000000 0.45920888275277 15.999 > 18 19 O 0.74606418957416 0.25000000000000 0.27096729449246 15.999 > 19 20 O 0.73436668116926 0.25000000000000 0.61724481534221 15.999 > 20 21 O 0.50145621238046 0.75000000000000 0.65388504099034 15.999 > 21 22 O 0.49285877523064 0.75000000000000 0.10551428537045 15.999 > 22 23 O 0.50714122476936 0.25000000000000 0.89448571462955 15.999 > 23 24 O 0.49854378761954 0.25000000000000 0.34611495900966 15.999 > 24 25 O 0.26563331883074 0.75000000000000 0.38275518465779 15.999 > 25 26 O 0.25393581042584 0.75000000000000 0.72903270550754 15.999 > 26 27 O 0.27557810381120 0.25000000000000 0.54079111724722 15.999 > 27 28 O 0.22442189618880 0.75000000000000 0.04079111724722 15.999 > 28 29 O 0.24606418957416 0.25000000000000 0.22903270550754 15.999 > 29 30 O 0.23436668116926 0.25000000000000 0.88275518465779 15.999 > 30 31 O 0.00145621238046 0.75000000000000 0.84611495900966 15.999 > 31 32 O 0.99285877523064 0.75000000000000 0.39448571462955 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.763482410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): *1 Lu 0.88594225006719 0.08333333333333 0.77797331450112 174.967 > 1 2 Lu 0.88594225006719 0.41666666666667 0.77797331450112 174.967 > 1 3 Lu 0.88594225006719 0.75000000000000 0.77797331450112 174.967 > 1 *4 Lu 0.86489387770546 0.08333333333333 0.44459130164164 174.967 > 2 5 Lu 0.86489387770546 0.41666666666667 0.44459130164164 174.967 > 2 6 Lu 0.86489387770546 0.75000000000000 0.44459130164164 174.967 > 2 7 Lu 0.63510612229454 0.25000000000000 0.94459130164164 174.967 > 3 8 Lu 0.63510612229454 0.58333333333333 0.94459130164164 174.967 > 3 9 Lu 0.63510612229454 0.91666666666667 0.94459130164164 174.967 > 3 10 Lu 0.61405774993281 0.25000000000000 0.27797331450112 174.967 > 4 11 Lu 0.61405774993281 0.58333333333333 0.27797331450112 174.967 > 4 12 Lu 0.61405774993281 0.91666666666667 0.27797331450112 174.967 > 4 13 Lu 0.38594225006719 0.08333333333333 0.72202668549888 174.967 > 5 14 Lu 0.38594225006719 0.41666666666667 0.72202668549888 174.967 > 5 15 Lu 0.38594225006719 0.75000000000000 0.72202668549888 174.967 > 5 16 Lu 0.36489387770546 0.08333333333333 0.05540869835836 174.967 > 6 17 Lu 0.36489387770546 0.41666666666667 0.05540869835836 174.967 > 6 18 Lu 0.36489387770546 0.75000000000000 0.05540869835836 174.967 > 6 19 Lu 0.13510612229454 0.25000000000000 0.55540869835836 174.967 > 7 20 Lu 0.13510612229454 0.58333333333333 0.55540869835836 174.967 > 7 21 Lu 0.13510612229454 0.91666666666667 0.55540869835836 174.967 > 7 22 Lu 0.11405774993281 0.25000000000000 0.22202668549888 174.967 > 8 23 Lu 0.11405774993281 0.58333333333333 0.22202668549888 174.967 > 8 24 Lu 0.11405774993281 0.91666666666667 0.22202668549888 174.967 > 8 *25 Ge 0.82797697307987 0.08333333333333 0.11944572333839 72.640 > 9 26 Ge 0.82797697307987 0.41666666666667 0.11944572333839 72.640 > 9 27 Ge 0.82797697307987 0.75000000000000 0.11944572333839 72.640 > 9 28 Ge 0.67202302692013 0.25000000000000 0.61944572333839 72.640 > 10 29 Ge 0.67202302692013 0.58333333333333 0.61944572333839 72.640 > 10 30 Ge 0.67202302692013 0.91666666666667 0.61944572333839 72.640 > 10 31 Ge 0.32797697307987 0.08333333333333 0.38055427666161 72.640 > 11 32 Ge 0.32797697307987 0.41666666666667 0.38055427666161 72.640 > 11 33 Ge 0.32797697307987 0.75000000000000 0.38055427666161 72.640 > 11 34 Ge 0.17202302692013 0.25000000000000 0.88055427666161 72.640 > 12 35 Ge 0.17202302692013 0.58333333333333 0.88055427666161 72.640 > 12 36 Ge 0.17202302692013 0.91666666666667 0.88055427666161 72.640 > 12 *37 O 0.00714122476936 0.08333333333333 0.60551428537045 15.999 > 13 38 O 0.00714122476936 0.41666666666667 0.60551428537045 15.999 > 13 39 O 0.00714122476936 0.75000000000000 0.60551428537045 15.999 > 13 *40 O 0.99854378761954 0.08333333333333 0.15388504099034 15.999 > 14 41 O 0.99854378761954 0.41666666666667 0.15388504099034 15.999 > 14 42 O 0.99854378761954 0.75000000000000 0.15388504099034 15.999 > 14 *43 O 0.76563331883074 0.25000000000000 0.11724481534221 15.999 > 15 44 O 0.76563331883074 0.58333333333333 0.11724481534221 15.999 > 15 45 O 0.76563331883074 0.91666666666667 0.11724481534221 15.999 > 15 *46 O 0.75393581042584 0.25000000000000 0.77096729449246 15.999 > 16 47 O 0.75393581042584 0.58333333333333 0.77096729449246 15.999 > 16 48 O 0.75393581042584 0.91666666666667 0.77096729449246 15.999 > 16 *49 O 0.77557810381120 0.08333333333333 0.95920888275278 15.999 > 17 50 O 0.77557810381120 0.41666666666667 0.95920888275278 15.999 > 17 51 O 0.77557810381120 0.75000000000000 0.95920888275278 15.999 > 17 52 O 0.72442189618880 0.25000000000000 0.45920888275277 15.999 > 18 53 O 0.72442189618880 0.58333333333333 0.45920888275277 15.999 > 18 54 O 0.72442189618880 0.91666666666667 0.45920888275277 15.999 > 18 55 O 0.74606418957416 0.08333333333333 0.27096729449246 15.999 > 19 56 O 0.74606418957416 0.41666666666667 0.27096729449246 15.999 > 19 57 O 0.74606418957416 0.75000000000000 0.27096729449246 15.999 > 19 58 O 0.73436668116926 0.08333333333333 0.61724481534221 15.999 > 20 59 O 0.73436668116926 0.41666666666667 0.61724481534221 15.999 > 20 60 O 0.73436668116926 0.75000000000000 0.61724481534221 15.999 > 20 61 O 0.50145621238046 0.25000000000000 0.65388504099034 15.999 > 21 62 O 0.50145621238046 0.58333333333333 0.65388504099034 15.999 > 21 63 O 0.50145621238046 0.91666666666667 0.65388504099034 15.999 > 21 64 O 0.49285877523064 0.25000000000000 0.10551428537045 15.999 > 22 65 O 0.49285877523064 0.58333333333333 0.10551428537045 15.999 > 22 66 O 0.49285877523064 0.91666666666667 0.10551428537045 15.999 > 22 67 O 0.50714122476936 0.08333333333333 0.89448571462955 15.999 > 23 68 O 0.50714122476936 0.41666666666667 0.89448571462955 15.999 > 23 69 O 0.50714122476936 0.75000000000000 0.89448571462955 15.999 > 23 70 O 0.49854378761954 0.08333333333333 0.34611495900966 15.999 > 24 71 O 0.49854378761954 0.41666666666667 0.34611495900966 15.999 > 24 72 O 0.49854378761954 0.75000000000000 0.34611495900966 15.999 > 24 73 O 0.26563331883074 0.25000000000000 0.38275518465779 15.999 > 25 74 O 0.26563331883074 0.58333333333333 0.38275518465779 15.999 > 25 75 O 0.26563331883074 0.91666666666667 0.38275518465779 15.999 > 25 76 O 0.25393581042584 0.25000000000000 0.72903270550754 15.999 > 26 77 O 0.25393581042584 0.58333333333333 0.72903270550754 15.999 > 26 78 O 0.25393581042584 0.91666666666667 0.72903270550754 15.999 > 26 79 O 0.27557810381120 0.08333333333333 0.54079111724722 15.999 > 27 80 O 0.27557810381120 0.41666666666667 0.54079111724722 15.999 > 27 81 O 0.27557810381120 0.75000000000000 0.54079111724722 15.999 > 27 82 O 0.22442189618880 0.25000000000000 0.04079111724722 15.999 > 28 83 O 0.22442189618880 0.58333333333333 0.04079111724722 15.999 > 28 84 O 0.22442189618880 0.91666666666667 0.04079111724722 15.999 > 28 85 O 0.24606418957416 0.08333333333333 0.22903270550754 15.999 > 29 86 O 0.24606418957416 0.41666666666667 0.22903270550754 15.999 > 29 87 O 0.24606418957416 0.75000000000000 0.22903270550754 15.999 > 29 88 O 0.23436668116926 0.08333333333333 0.88275518465779 15.999 > 30 89 O 0.23436668116926 0.41666666666667 0.88275518465779 15.999 > 30 90 O 0.23436668116926 0.75000000000000 0.88275518465779 15.999 > 30 91 O 0.00145621238046 0.25000000000000 0.84611495900966 15.999 > 31 92 O 0.00145621238046 0.58333333333333 0.84611495900966 15.999 > 31 93 O 0.00145621238046 0.91666666666667 0.84611495900966 15.999 > 31 94 O 0.99285877523064 0.25000000000000 0.39448571462955 15.999 > 32 95 O 0.99285877523064 0.58333333333333 0.39448571462955 15.999 > 32 96 O 0.99285877523064 0.91666666666667 0.39448571462955 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9281645 0.0000000 0.0000000 0.0000000 4.0134681 0.0000000 0.0000000 0.0000000 3.9624456 -------------------------- Born effective charges -------------------------- 1 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 2 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 3 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 4 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 5 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 6 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 7 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 8 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 9 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 10 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 11 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 12 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 13 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 14 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 15 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 16 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 17 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 18 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 19 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 20 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 21 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 22 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 23 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 24 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 25 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 26 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 27 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 28 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 29 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 30 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 31 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 32 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.632 Solver_block: 200 / 480 - Time: 2.584 Solver_block: 300 / 480 - Time: 2.583 Solver_block: 400 / 480 - Time: 2.582 Solver_block: 480 / 480 - Time: 2.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.549 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:18:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:18:04]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.587827470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): 1 Lu 0.88594225006719 0.25000000000000 0.77797331450112 174.967 2 Lu 0.86489387770546 0.25000000000000 0.44459130164164 174.967 3 Lu 0.63510612229454 0.75000000000000 0.94459130164164 174.967 4 Lu 0.61405774993281 0.75000000000000 0.27797331450112 174.967 5 Lu 0.38594225006719 0.25000000000000 0.72202668549888 174.967 6 Lu 0.36489387770546 0.25000000000000 0.05540869835836 174.967 7 Lu 0.13510612229454 0.75000000000000 0.55540869835836 174.967 8 Lu 0.11405774993281 0.75000000000000 0.22202668549888 174.967 9 Ge 0.82797697307987 0.25000000000000 0.11944572333839 72.640 10 Ge 0.67202302692013 0.75000000000000 0.61944572333839 72.640 11 Ge 0.32797697307987 0.25000000000000 0.38055427666161 72.640 12 Ge 0.17202302692013 0.75000000000000 0.88055427666161 72.640 13 O 0.00714122476936 0.25000000000000 0.60551428537045 15.999 14 O 0.99854378761954 0.25000000000000 0.15388504099034 15.999 15 O 0.76563331883074 0.75000000000000 0.11724481534221 15.999 16 O 0.75393581042584 0.75000000000000 0.77096729449246 15.999 17 O 0.77557810381120 0.25000000000000 0.95920888275278 15.999 18 O 0.72442189618880 0.75000000000000 0.45920888275277 15.999 19 O 0.74606418957416 0.25000000000000 0.27096729449246 15.999 20 O 0.73436668116926 0.25000000000000 0.61724481534221 15.999 21 O 0.50145621238046 0.75000000000000 0.65388504099034 15.999 22 O 0.49285877523064 0.75000000000000 0.10551428537045 15.999 23 O 0.50714122476936 0.25000000000000 0.89448571462955 15.999 24 O 0.49854378761954 0.25000000000000 0.34611495900966 15.999 25 O 0.26563331883074 0.75000000000000 0.38275518465779 15.999 26 O 0.25393581042584 0.75000000000000 0.72903270550754 15.999 27 O 0.27557810381120 0.25000000000000 0.54079111724722 15.999 28 O 0.22442189618880 0.75000000000000 0.04079111724722 15.999 29 O 0.24606418957416 0.25000000000000 0.22903270550754 15.999 30 O 0.23436668116926 0.25000000000000 0.88275518465779 15.999 31 O 0.00145621238046 0.75000000000000 0.84611495900966 15.999 32 O 0.99285877523064 0.75000000000000 0.39448571462955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.763482410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): 1 Lu 0.88594225006719 0.08333333333333 0.77797331450112 174.967 > 1 2 Lu 0.88594225006719 0.41666666666667 0.77797331450112 174.967 > 1 3 Lu 0.88594225006719 0.75000000000000 0.77797331450112 174.967 > 1 4 Lu 0.86489387770546 0.08333333333333 0.44459130164164 174.967 > 4 5 Lu 0.86489387770546 0.41666666666667 0.44459130164164 174.967 > 4 6 Lu 0.86489387770546 0.75000000000000 0.44459130164164 174.967 > 4 7 Lu 0.63510612229454 0.25000000000000 0.94459130164164 174.967 > 7 8 Lu 0.63510612229454 0.58333333333333 0.94459130164164 174.967 > 7 9 Lu 0.63510612229454 0.91666666666667 0.94459130164164 174.967 > 7 10 Lu 0.61405774993281 0.25000000000000 0.27797331450112 174.967 > 10 11 Lu 0.61405774993281 0.58333333333333 0.27797331450112 174.967 > 10 12 Lu 0.61405774993281 0.91666666666667 0.27797331450112 174.967 > 10 13 Lu 0.38594225006719 0.08333333333333 0.72202668549888 174.967 > 13 14 Lu 0.38594225006719 0.41666666666667 0.72202668549888 174.967 > 13 15 Lu 0.38594225006719 0.75000000000000 0.72202668549888 174.967 > 13 16 Lu 0.36489387770546 0.08333333333333 0.05540869835836 174.967 > 16 17 Lu 0.36489387770546 0.41666666666667 0.05540869835836 174.967 > 16 18 Lu 0.36489387770546 0.75000000000000 0.05540869835836 174.967 > 16 19 Lu 0.13510612229454 0.25000000000000 0.55540869835836 174.967 > 19 20 Lu 0.13510612229454 0.58333333333333 0.55540869835836 174.967 > 19 21 Lu 0.13510612229454 0.91666666666667 0.55540869835836 174.967 > 19 22 Lu 0.11405774993281 0.25000000000000 0.22202668549888 174.967 > 22 23 Lu 0.11405774993281 0.58333333333333 0.22202668549888 174.967 > 22 24 Lu 0.11405774993281 0.91666666666667 0.22202668549888 174.967 > 22 25 Ge 0.82797697307987 0.08333333333333 0.11944572333839 72.640 > 25 26 Ge 0.82797697307987 0.41666666666667 0.11944572333839 72.640 > 25 27 Ge 0.82797697307987 0.75000000000000 0.11944572333839 72.640 > 25 28 Ge 0.67202302692013 0.25000000000000 0.61944572333839 72.640 > 28 29 Ge 0.67202302692013 0.58333333333333 0.61944572333839 72.640 > 28 30 Ge 0.67202302692013 0.91666666666667 0.61944572333839 72.640 > 28 31 Ge 0.32797697307987 0.08333333333333 0.38055427666161 72.640 > 31 32 Ge 0.32797697307987 0.41666666666667 0.38055427666161 72.640 > 31 33 Ge 0.32797697307987 0.75000000000000 0.38055427666161 72.640 > 31 34 Ge 0.17202302692013 0.25000000000000 0.88055427666161 72.640 > 34 35 Ge 0.17202302692013 0.58333333333333 0.88055427666161 72.640 > 34 36 Ge 0.17202302692013 0.91666666666667 0.88055427666161 72.640 > 34 37 O 0.00714122476936 0.08333333333333 0.60551428537045 15.999 > 37 38 O 0.00714122476936 0.41666666666667 0.60551428537045 15.999 > 37 39 O 0.00714122476936 0.75000000000000 0.60551428537045 15.999 > 37 40 O 0.99854378761954 0.08333333333333 0.15388504099034 15.999 > 40 41 O 0.99854378761954 0.41666666666667 0.15388504099034 15.999 > 40 42 O 0.99854378761954 0.75000000000000 0.15388504099034 15.999 > 40 43 O 0.76563331883074 0.25000000000000 0.11724481534221 15.999 > 43 44 O 0.76563331883074 0.58333333333333 0.11724481534221 15.999 > 43 45 O 0.76563331883074 0.91666666666667 0.11724481534221 15.999 > 43 46 O 0.75393581042584 0.25000000000000 0.77096729449246 15.999 > 46 47 O 0.75393581042584 0.58333333333333 0.77096729449246 15.999 > 46 48 O 0.75393581042584 0.91666666666667 0.77096729449246 15.999 > 46 49 O 0.77557810381120 0.08333333333333 0.95920888275278 15.999 > 49 50 O 0.77557810381120 0.41666666666667 0.95920888275278 15.999 > 49 51 O 0.77557810381120 0.75000000000000 0.95920888275278 15.999 > 49 52 O 0.72442189618880 0.25000000000000 0.45920888275277 15.999 > 52 53 O 0.72442189618880 0.58333333333333 0.45920888275277 15.999 > 52 54 O 0.72442189618880 0.91666666666667 0.45920888275277 15.999 > 52 55 O 0.74606418957416 0.08333333333333 0.27096729449246 15.999 > 55 56 O 0.74606418957416 0.41666666666667 0.27096729449246 15.999 > 55 57 O 0.74606418957416 0.75000000000000 0.27096729449246 15.999 > 55 58 O 0.73436668116926 0.08333333333333 0.61724481534221 15.999 > 58 59 O 0.73436668116926 0.41666666666667 0.61724481534221 15.999 > 58 60 O 0.73436668116926 0.75000000000000 0.61724481534221 15.999 > 58 61 O 0.50145621238046 0.25000000000000 0.65388504099034 15.999 > 61 62 O 0.50145621238046 0.58333333333333 0.65388504099034 15.999 > 61 63 O 0.50145621238046 0.91666666666667 0.65388504099034 15.999 > 61 64 O 0.49285877523064 0.25000000000000 0.10551428537045 15.999 > 64 65 O 0.49285877523064 0.58333333333333 0.10551428537045 15.999 > 64 66 O 0.49285877523064 0.91666666666667 0.10551428537045 15.999 > 64 67 O 0.50714122476936 0.08333333333333 0.89448571462955 15.999 > 67 68 O 0.50714122476936 0.41666666666667 0.89448571462955 15.999 > 67 69 O 0.50714122476936 0.75000000000000 0.89448571462955 15.999 > 67 70 O 0.49854378761954 0.08333333333333 0.34611495900966 15.999 > 70 71 O 0.49854378761954 0.41666666666667 0.34611495900966 15.999 > 70 72 O 0.49854378761954 0.75000000000000 0.34611495900966 15.999 > 70 73 O 0.26563331883074 0.25000000000000 0.38275518465779 15.999 > 73 74 O 0.26563331883074 0.58333333333333 0.38275518465779 15.999 > 73 75 O 0.26563331883074 0.91666666666667 0.38275518465779 15.999 > 73 76 O 0.25393581042584 0.25000000000000 0.72903270550754 15.999 > 76 77 O 0.25393581042584 0.58333333333333 0.72903270550754 15.999 > 76 78 O 0.25393581042584 0.91666666666667 0.72903270550754 15.999 > 76 79 O 0.27557810381120 0.08333333333333 0.54079111724722 15.999 > 79 80 O 0.27557810381120 0.41666666666667 0.54079111724722 15.999 > 79 81 O 0.27557810381120 0.75000000000000 0.54079111724722 15.999 > 79 82 O 0.22442189618880 0.25000000000000 0.04079111724722 15.999 > 82 83 O 0.22442189618880 0.58333333333333 0.04079111724722 15.999 > 82 84 O 0.22442189618880 0.91666666666667 0.04079111724722 15.999 > 82 85 O 0.24606418957416 0.08333333333333 0.22903270550754 15.999 > 85 86 O 0.24606418957416 0.41666666666667 0.22903270550754 15.999 > 85 87 O 0.24606418957416 0.75000000000000 0.22903270550754 15.999 > 85 88 O 0.23436668116926 0.08333333333333 0.88275518465779 15.999 > 88 89 O 0.23436668116926 0.41666666666667 0.88275518465779 15.999 > 88 90 O 0.23436668116926 0.75000000000000 0.88275518465779 15.999 > 88 91 O 0.00145621238046 0.25000000000000 0.84611495900966 15.999 > 91 92 O 0.00145621238046 0.58333333333333 0.84611495900966 15.999 > 91 93 O 0.00145621238046 0.91666666666667 0.84611495900966 15.999 > 91 94 O 0.99285877523064 0.25000000000000 0.39448571462955 15.999 > 94 95 O 0.99285877523064 0.58333333333333 0.39448571462955 15.999 > 94 96 O 0.99285877523064 0.91666666666667 0.39448571462955 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9281645 0.0000000 0.0000000 0.0000000 4.0134681 0.0000000 0.0000000 0.0000000 3.9624456 -------------------------- Born effective charges -------------------------- 1 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 2 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 3 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 4 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 5 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 6 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 7 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 8 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 9 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 10 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 11 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 12 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 13 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 14 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 15 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 16 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 17 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 18 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 19 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 20 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 21 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 22 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 23 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 24 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 25 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 26 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 27 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 28 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 29 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 30 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 31 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 32 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:18:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:18:27]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.587827470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): 1 Lu 0.88594225006719 0.25000000000000 0.77797331450112 174.967 2 Lu 0.86489387770546 0.25000000000000 0.44459130164164 174.967 3 Lu 0.63510612229454 0.75000000000000 0.94459130164164 174.967 4 Lu 0.61405774993281 0.75000000000000 0.27797331450112 174.967 5 Lu 0.38594225006719 0.25000000000000 0.72202668549888 174.967 6 Lu 0.36489387770546 0.25000000000000 0.05540869835836 174.967 7 Lu 0.13510612229454 0.75000000000000 0.55540869835836 174.967 8 Lu 0.11405774993281 0.75000000000000 0.22202668549888 174.967 9 Ge 0.82797697307987 0.25000000000000 0.11944572333839 72.640 10 Ge 0.67202302692013 0.75000000000000 0.61944572333839 72.640 11 Ge 0.32797697307987 0.25000000000000 0.38055427666161 72.640 12 Ge 0.17202302692013 0.75000000000000 0.88055427666161 72.640 13 O 0.00714122476936 0.25000000000000 0.60551428537045 15.999 14 O 0.99854378761954 0.25000000000000 0.15388504099034 15.999 15 O 0.76563331883074 0.75000000000000 0.11724481534221 15.999 16 O 0.75393581042584 0.75000000000000 0.77096729449246 15.999 17 O 0.77557810381120 0.25000000000000 0.95920888275278 15.999 18 O 0.72442189618880 0.75000000000000 0.45920888275277 15.999 19 O 0.74606418957416 0.25000000000000 0.27096729449246 15.999 20 O 0.73436668116926 0.25000000000000 0.61724481534221 15.999 21 O 0.50145621238046 0.75000000000000 0.65388504099034 15.999 22 O 0.49285877523064 0.75000000000000 0.10551428537045 15.999 23 O 0.50714122476936 0.25000000000000 0.89448571462955 15.999 24 O 0.49854378761954 0.25000000000000 0.34611495900966 15.999 25 O 0.26563331883074 0.75000000000000 0.38275518465779 15.999 26 O 0.25393581042584 0.75000000000000 0.72903270550754 15.999 27 O 0.27557810381120 0.25000000000000 0.54079111724722 15.999 28 O 0.22442189618880 0.75000000000000 0.04079111724722 15.999 29 O 0.24606418957416 0.25000000000000 0.22903270550754 15.999 30 O 0.23436668116926 0.25000000000000 0.88275518465779 15.999 31 O 0.00145621238046 0.75000000000000 0.84611495900966 15.999 32 O 0.99285877523064 0.75000000000000 0.39448571462955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.987023969999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.763482410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.844430319999999 Atomic positions (fractional): 1 Lu 0.88594225006719 0.08333333333333 0.77797331450112 174.967 > 1 2 Lu 0.88594225006719 0.41666666666667 0.77797331450112 174.967 > 1 3 Lu 0.88594225006719 0.75000000000000 0.77797331450112 174.967 > 1 4 Lu 0.86489387770546 0.08333333333333 0.44459130164164 174.967 > 4 5 Lu 0.86489387770546 0.41666666666667 0.44459130164164 174.967 > 4 6 Lu 0.86489387770546 0.75000000000000 0.44459130164164 174.967 > 4 7 Lu 0.63510612229454 0.25000000000000 0.94459130164164 174.967 > 7 8 Lu 0.63510612229454 0.58333333333333 0.94459130164164 174.967 > 7 9 Lu 0.63510612229454 0.91666666666667 0.94459130164164 174.967 > 7 10 Lu 0.61405774993281 0.25000000000000 0.27797331450112 174.967 > 10 11 Lu 0.61405774993281 0.58333333333333 0.27797331450112 174.967 > 10 12 Lu 0.61405774993281 0.91666666666667 0.27797331450112 174.967 > 10 13 Lu 0.38594225006719 0.08333333333333 0.72202668549888 174.967 > 13 14 Lu 0.38594225006719 0.41666666666667 0.72202668549888 174.967 > 13 15 Lu 0.38594225006719 0.75000000000000 0.72202668549888 174.967 > 13 16 Lu 0.36489387770546 0.08333333333333 0.05540869835836 174.967 > 16 17 Lu 0.36489387770546 0.41666666666667 0.05540869835836 174.967 > 16 18 Lu 0.36489387770546 0.75000000000000 0.05540869835836 174.967 > 16 19 Lu 0.13510612229454 0.25000000000000 0.55540869835836 174.967 > 19 20 Lu 0.13510612229454 0.58333333333333 0.55540869835836 174.967 > 19 21 Lu 0.13510612229454 0.91666666666667 0.55540869835836 174.967 > 19 22 Lu 0.11405774993281 0.25000000000000 0.22202668549888 174.967 > 22 23 Lu 0.11405774993281 0.58333333333333 0.22202668549888 174.967 > 22 24 Lu 0.11405774993281 0.91666666666667 0.22202668549888 174.967 > 22 25 Ge 0.82797697307987 0.08333333333333 0.11944572333839 72.640 > 25 26 Ge 0.82797697307987 0.41666666666667 0.11944572333839 72.640 > 25 27 Ge 0.82797697307987 0.75000000000000 0.11944572333839 72.640 > 25 28 Ge 0.67202302692013 0.25000000000000 0.61944572333839 72.640 > 28 29 Ge 0.67202302692013 0.58333333333333 0.61944572333839 72.640 > 28 30 Ge 0.67202302692013 0.91666666666667 0.61944572333839 72.640 > 28 31 Ge 0.32797697307987 0.08333333333333 0.38055427666161 72.640 > 31 32 Ge 0.32797697307987 0.41666666666667 0.38055427666161 72.640 > 31 33 Ge 0.32797697307987 0.75000000000000 0.38055427666161 72.640 > 31 34 Ge 0.17202302692013 0.25000000000000 0.88055427666161 72.640 > 34 35 Ge 0.17202302692013 0.58333333333333 0.88055427666161 72.640 > 34 36 Ge 0.17202302692013 0.91666666666667 0.88055427666161 72.640 > 34 37 O 0.00714122476936 0.08333333333333 0.60551428537045 15.999 > 37 38 O 0.00714122476936 0.41666666666667 0.60551428537045 15.999 > 37 39 O 0.00714122476936 0.75000000000000 0.60551428537045 15.999 > 37 40 O 0.99854378761954 0.08333333333333 0.15388504099034 15.999 > 40 41 O 0.99854378761954 0.41666666666667 0.15388504099034 15.999 > 40 42 O 0.99854378761954 0.75000000000000 0.15388504099034 15.999 > 40 43 O 0.76563331883074 0.25000000000000 0.11724481534221 15.999 > 43 44 O 0.76563331883074 0.58333333333333 0.11724481534221 15.999 > 43 45 O 0.76563331883074 0.91666666666667 0.11724481534221 15.999 > 43 46 O 0.75393581042584 0.25000000000000 0.77096729449246 15.999 > 46 47 O 0.75393581042584 0.58333333333333 0.77096729449246 15.999 > 46 48 O 0.75393581042584 0.91666666666667 0.77096729449246 15.999 > 46 49 O 0.77557810381120 0.08333333333333 0.95920888275278 15.999 > 49 50 O 0.77557810381120 0.41666666666667 0.95920888275278 15.999 > 49 51 O 0.77557810381120 0.75000000000000 0.95920888275278 15.999 > 49 52 O 0.72442189618880 0.25000000000000 0.45920888275277 15.999 > 52 53 O 0.72442189618880 0.58333333333333 0.45920888275277 15.999 > 52 54 O 0.72442189618880 0.91666666666667 0.45920888275277 15.999 > 52 55 O 0.74606418957416 0.08333333333333 0.27096729449246 15.999 > 55 56 O 0.74606418957416 0.41666666666667 0.27096729449246 15.999 > 55 57 O 0.74606418957416 0.75000000000000 0.27096729449246 15.999 > 55 58 O 0.73436668116926 0.08333333333333 0.61724481534221 15.999 > 58 59 O 0.73436668116926 0.41666666666667 0.61724481534221 15.999 > 58 60 O 0.73436668116926 0.75000000000000 0.61724481534221 15.999 > 58 61 O 0.50145621238046 0.25000000000000 0.65388504099034 15.999 > 61 62 O 0.50145621238046 0.58333333333333 0.65388504099034 15.999 > 61 63 O 0.50145621238046 0.91666666666667 0.65388504099034 15.999 > 61 64 O 0.49285877523064 0.25000000000000 0.10551428537045 15.999 > 64 65 O 0.49285877523064 0.58333333333333 0.10551428537045 15.999 > 64 66 O 0.49285877523064 0.91666666666667 0.10551428537045 15.999 > 64 67 O 0.50714122476936 0.08333333333333 0.89448571462955 15.999 > 67 68 O 0.50714122476936 0.41666666666667 0.89448571462955 15.999 > 67 69 O 0.50714122476936 0.75000000000000 0.89448571462955 15.999 > 67 70 O 0.49854378761954 0.08333333333333 0.34611495900966 15.999 > 70 71 O 0.49854378761954 0.41666666666667 0.34611495900966 15.999 > 70 72 O 0.49854378761954 0.75000000000000 0.34611495900966 15.999 > 70 73 O 0.26563331883074 0.25000000000000 0.38275518465779 15.999 > 73 74 O 0.26563331883074 0.58333333333333 0.38275518465779 15.999 > 73 75 O 0.26563331883074 0.91666666666667 0.38275518465779 15.999 > 73 76 O 0.25393581042584 0.25000000000000 0.72903270550754 15.999 > 76 77 O 0.25393581042584 0.58333333333333 0.72903270550754 15.999 > 76 78 O 0.25393581042584 0.91666666666667 0.72903270550754 15.999 > 76 79 O 0.27557810381120 0.08333333333333 0.54079111724722 15.999 > 79 80 O 0.27557810381120 0.41666666666667 0.54079111724722 15.999 > 79 81 O 0.27557810381120 0.75000000000000 0.54079111724722 15.999 > 79 82 O 0.22442189618880 0.25000000000000 0.04079111724722 15.999 > 82 83 O 0.22442189618880 0.58333333333333 0.04079111724722 15.999 > 82 84 O 0.22442189618880 0.91666666666667 0.04079111724722 15.999 > 82 85 O 0.24606418957416 0.08333333333333 0.22903270550754 15.999 > 85 86 O 0.24606418957416 0.41666666666667 0.22903270550754 15.999 > 85 87 O 0.24606418957416 0.75000000000000 0.22903270550754 15.999 > 85 88 O 0.23436668116926 0.08333333333333 0.88275518465779 15.999 > 88 89 O 0.23436668116926 0.41666666666667 0.88275518465779 15.999 > 88 90 O 0.23436668116926 0.75000000000000 0.88275518465779 15.999 > 88 91 O 0.00145621238046 0.25000000000000 0.84611495900966 15.999 > 91 92 O 0.00145621238046 0.58333333333333 0.84611495900966 15.999 > 91 93 O 0.00145621238046 0.91666666666667 0.84611495900966 15.999 > 91 94 O 0.99285877523064 0.25000000000000 0.39448571462955 15.999 > 94 95 O 0.99285877523064 0.58333333333333 0.39448571462955 15.999 > 94 96 O 0.99285877523064 0.91666666666667 0.39448571462955 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9281645 0.0000000 0.0000000 0.0000000 4.0134681 0.0000000 0.0000000 0.0000000 3.9624456 -------------------------- Born effective charges -------------------------- 1 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 2 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 3 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 4 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 5 Lu 3.8059825 0.0000000 0.1453705 0.0000000 3.7744647 0.0000000 0.4168861 0.0000000 3.7151617 6 Lu 3.6683323 0.0000000 -0.2900499 0.0000000 3.7507751 0.0000000 -0.1239705 0.0000000 3.4451668 7 Lu 3.6683323 0.0000000 0.2900499 0.0000000 3.7507751 0.0000000 0.1239705 0.0000000 3.4451668 8 Lu 3.8059825 0.0000000 -0.1453705 0.0000000 3.7744647 0.0000000 -0.4168861 0.0000000 3.7151617 9 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 10 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 11 Ge 3.1584873 0.0000000 -0.1064674 0.0000000 4.1382574 0.0000000 -0.2882853 0.0000000 3.6951931 12 Ge 3.1584873 0.0000000 0.1064674 0.0000000 4.1382574 0.0000000 0.2882853 0.0000000 3.6951931 13 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 14 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 15 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 16 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 17 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 18 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 19 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 20 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 21 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 22 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 23 O -2.3786308 0.0000000 -0.1540213 0.0000000 -2.3034199 0.0000000 -0.2642657 0.0000000 -2.4135164 24 O -2.5887419 0.0000000 0.4961366 0.0000000 -2.1197280 0.0000000 0.3214808 0.0000000 -1.5164930 25 O -1.6523762 0.0000000 0.0339020 0.0000000 -2.8185630 0.0000000 0.1338693 0.0000000 -1.8424479 26 O -2.1246598 0.0000000 -0.0542147 0.0000000 -2.2636699 0.0000000 -0.0847743 0.0000000 -2.4286736 27 O -1.8883934 0.0000000 -0.1378016 0.0000000 -2.1581164 0.0000000 -0.0141115 0.0000000 -2.6543908 28 O -1.8883934 0.0000000 0.1378016 0.0000000 -2.1581164 0.0000000 0.0141115 0.0000000 -2.6543908 29 O -2.1246598 0.0000000 0.0542147 0.0000000 -2.2636699 0.0000000 0.0847743 0.0000000 -2.4286736 30 O -1.6523762 0.0000000 -0.0339020 0.0000000 -2.8185630 0.0000000 -0.1338693 0.0000000 -1.8424479 31 O -2.5887419 0.0000000 -0.4961366 0.0000000 -2.1197280 0.0000000 -0.3214808 0.0000000 -1.5164930 32 O -2.3786308 0.0000000 0.1540213 0.0000000 -2.3034199 0.0000000 0.2642657 0.0000000 -2.4135164 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.154 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.896 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.719 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.485 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 12.311 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.817 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.418 ( 0.000 0.000 0.000) 0.000 14.437 ( 0.000 0.000 0.000) 0.000 14.950 ( 0.000 0.000 0.000) 0.000 14.952 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 19.103 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.880 ( 0.000 0.000 0.000) 0.000 20.461 ( 0.000 0.000 0.000) 0.000 20.484 ( 0.000 0.000 0.000) 0.000 20.505 ( 0.000 0.000 0.000) 0.000 20.506 ( 0.000 0.000 0.000) 0.000 20.517 ( 0.000 0.000 0.000) 0.000 20.980 ( 0.000 0.000 0.000) 0.000 21.456 ( 0.000 0.000 0.000) 0.000 21.515 ( 0.000 0.000 0.000) 0.000 23.164 ( 0.000 0.000 0.000) 0.000 23.686 ( 0.000 0.000 0.000) 0.000 23.738 ( 0.000 0.000 0.000) 0.000 24.235 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 28.029 0.000 0.000) 28.029 0.646 ( 31.817 0.000 0.000) 31.817 1.067 ( 51.551 0.000 0.000) 51.551 2.086 ( -13.659 0.000 0.000) 13.659 2.261 ( -17.931 0.000 0.000) 17.931 2.316 ( 10.119 0.000 0.000) 10.119 2.435 ( -6.208 0.000 0.000) 6.208 2.620 ( -0.449 0.000 0.000) 0.449 2.649 ( 4.197 0.000 0.000) 4.197 2.673 ( 3.711 0.000 0.000) 3.711 2.862 ( -13.013 0.000 0.000) 13.013 3.030 ( -6.882 0.000 0.000) 6.882 3.056 ( -4.195 0.000 0.000) 4.195 3.281 ( 6.286 0.000 0.000) 6.286 3.284 ( 5.000 0.000 0.000) 5.000 3.340 ( 2.910 0.000 0.000) 2.910 3.590 ( -8.327 0.000 0.000) 8.327 3.663 ( 13.675 0.000 0.000) 13.675 3.774 ( 6.445 0.000 0.000) 6.445 4.180 ( -15.472 0.000 0.000) 15.472 4.320 ( 1.343 0.000 0.000) 1.343 4.478 ( -8.260 0.000 0.000) 8.260 4.644 ( 1.801 0.000 0.000) 1.801 4.710 ( 3.537 0.000 0.000) 3.537 4.811 ( -1.773 0.000 0.000) 1.773 4.943 ( -2.154 0.000 0.000) 2.154 5.018 ( 3.518 0.000 0.000) 3.518 5.097 ( -2.370 0.000 0.000) 2.370 5.748 ( 5.164 0.000 0.000) 5.164 6.000 ( 4.558 0.000 0.000) 4.558 6.061 ( -3.558 0.000 0.000) 3.558 6.219 ( -1.605 0.000 0.000) 1.605 6.748 ( 1.662 0.000 0.000) 1.662 6.927 ( 7.322 0.000 0.000) 7.322 7.213 ( -0.020 0.000 0.000) 0.020 7.306 ( 5.925 0.000 0.000) 5.925 7.317 ( -4.895 0.000 0.000) 4.895 7.437 ( 4.329 0.000 0.000) 4.329 7.858 ( -7.986 0.000 0.000) 7.986 7.869 ( 4.788 0.000 0.000) 4.788 8.468 ( 0.151 0.000 0.000) 0.151 8.487 ( -0.286 0.000 0.000) 0.286 8.607 ( 6.936 0.000 0.000) 6.936 8.757 ( 0.345 0.000 0.000) 0.345 9.546 ( -5.710 0.000 0.000) 5.710 9.815 ( -12.993 0.000 0.000) 12.993 9.899 ( 0.390 0.000 0.000) 0.390 9.959 ( -1.103 0.000 0.000) 1.103 10.052 ( 3.310 0.000 0.000) 3.310 10.385 ( 1.122 0.000 0.000) 1.122 10.413 ( 0.241 0.000 0.000) 0.241 10.542 ( 3.112 0.000 0.000) 3.112 10.750 ( -1.162 0.000 0.000) 1.162 10.845 ( -12.973 0.000 0.000) 12.973 11.202 ( -0.243 0.000 0.000) 0.243 11.396 ( 0.276 0.000 0.000) 0.276 11.411 ( -5.780 0.000 0.000) 5.780 11.708 ( -3.032 0.000 0.000) 3.032 11.751 ( 4.358 0.000 0.000) 4.358 11.910 ( -0.644 0.000 0.000) 0.644 12.117 ( 8.567 0.000 0.000) 8.567 12.180 ( 12.161 0.000 0.000) 12.161 12.322 ( 3.920 0.000 0.000) 3.920 12.362 ( 5.226 0.000 0.000) 5.226 12.960 ( 1.094 0.000 0.000) 1.094 12.999 ( 0.813 0.000 0.000) 0.813 13.484 ( -7.897 0.000 0.000) 7.897 13.819 ( 0.189 0.000 0.000) 0.189 13.839 ( -0.255 0.000 0.000) 0.255 13.931 ( -21.877 0.000 0.000) 21.877 14.420 ( 0.177 0.000 0.000) 0.177 14.435 ( -0.162 0.000 0.000) 0.162 14.710 ( 13.729 0.000 0.000) 13.729 14.991 ( 3.042 0.000 0.000) 3.042 15.646 ( 1.223 0.000 0.000) 1.223 15.653 ( 2.486 0.000 0.000) 2.486 15.712 ( -3.363 0.000 0.000) 3.363 15.878 ( -0.386 0.000 0.000) 0.386 16.478 ( 2.057 0.000 0.000) 2.057 16.716 ( -3.486 0.000 0.000) 3.486 18.879 ( 2.340 0.000 0.000) 2.340 19.081 ( -2.191 0.000 0.000) 2.191 19.886 ( 0.534 0.000 0.000) 0.534 19.908 ( 0.072 0.000 0.000) 0.072 20.484 ( 0.011 0.000 0.000) 0.011 20.500 ( -0.408 0.000 0.000) 0.408 20.509 ( 4.735 0.000 0.000) 4.735 20.510 ( 0.286 0.000 0.000) 0.286 20.519 ( 0.123 0.000 0.000) 0.123 20.946 ( -3.696 0.000 0.000) 3.696 21.453 ( -4.909 0.000 0.000) 4.909 21.558 ( -5.892 0.000 0.000) 5.892 23.240 ( 6.863 0.000 0.000) 6.863 23.650 ( -3.519 0.000 0.000) 3.519 24.300 ( 5.826 0.000 0.000) 5.826 24.630 ( -2.510 0.000 0.000) 2.510 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 27.273 0.000 0.000) 27.273 1.264 ( 29.645 0.000 0.000) 29.645 1.609 ( -18.043 0.000 0.000) 18.043 1.820 ( -25.438 0.000 0.000) 25.438 2.098 ( 31.068 0.000 0.000) 31.068 2.360 ( -2.044 0.000 0.000) 2.044 2.522 ( 6.575 0.000 0.000) 6.575 2.580 ( -2.943 0.000 0.000) 2.943 2.692 ( 3.807 0.000 0.000) 3.807 2.739 ( 4.592 0.000 0.000) 4.592 2.764 ( 4.037 0.000 0.000) 4.037 2.907 ( -4.228 0.000 0.000) 4.228 2.948 ( -5.907 0.000 0.000) 5.907 3.205 ( -31.497 0.000 0.000) 31.497 3.361 ( 2.548 0.000 0.000) 2.548 3.381 ( 0.661 0.000 0.000) 0.661 3.437 ( 9.641 0.000 0.000) 9.641 3.670 ( -13.701 0.000 0.000) 13.701 3.908 ( 9.240 0.000 0.000) 9.240 3.999 ( -0.441 0.000 0.000) 0.441 4.396 ( 5.137 0.000 0.000) 5.137 4.448 ( 0.311 0.000 0.000) 0.311 4.696 ( 3.223 0.000 0.000) 3.223 4.762 ( -3.059 0.000 0.000) 3.059 4.795 ( 4.575 0.000 0.000) 4.575 4.882 ( -3.875 0.000 0.000) 3.875 5.002 ( -2.543 0.000 0.000) 2.543 5.017 ( -4.110 0.000 0.000) 4.110 5.865 ( 5.695 0.000 0.000) 5.695 5.971 ( -5.036 0.000 0.000) 5.036 6.105 ( 5.068 0.000 0.000) 5.068 6.181 ( -2.495 0.000 0.000) 2.495 6.859 ( 9.337 0.000 0.000) 9.337 7.046 ( 5.050 0.000 0.000) 5.050 7.088 ( -11.343 0.000 0.000) 11.343 7.160 ( -7.216 0.000 0.000) 7.216 7.492 ( 11.070 0.000 0.000) 11.070 7.685 ( 9.215 0.000 0.000) 9.215 7.698 ( -2.057 0.000 0.000) 2.057 7.908 ( -3.667 0.000 0.000) 3.667 8.472 ( 0.303 0.000 0.000) 0.303 8.479 ( -0.386 0.000 0.000) 0.386 8.729 ( 4.342 0.000 0.000) 4.342 8.764 ( 0.195 0.000 0.000) 0.195 9.421 ( -3.302 0.000 0.000) 3.302 9.523 ( -12.910 0.000 0.000) 12.910 9.912 ( 0.858 0.000 0.000) 0.858 9.933 ( -1.263 0.000 0.000) 1.263 10.212 ( 12.439 0.000 0.000) 12.439 10.407 ( 0.854 0.000 0.000) 0.854 10.416 ( -0.054 0.000 0.000) 0.054 10.520 ( -17.309 0.000 0.000) 17.309 10.623 ( 4.539 0.000 0.000) 4.539 10.706 ( -3.370 0.000 0.000) 3.370 11.218 ( 2.250 0.000 0.000) 2.250 11.295 ( -5.232 0.000 0.000) 5.232 11.482 ( 6.748 0.000 0.000) 6.748 11.617 ( -5.976 0.000 0.000) 5.976 11.832 ( 3.489 0.000 0.000) 3.489 11.886 ( -1.891 0.000 0.000) 1.891 12.261 ( 4.189 0.000 0.000) 4.189 12.292 ( 0.776 0.000 0.000) 0.776 12.496 ( 8.941 0.000 0.000) 8.941 12.515 ( 7.311 0.000 0.000) 7.311 12.988 ( 1.678 0.000 0.000) 1.678 13.010 ( -0.076 0.000 0.000) 0.076 13.345 ( -2.596 0.000 0.000) 2.596 13.509 ( -17.953 0.000 0.000) 17.953 13.825 ( 0.339 0.000 0.000) 0.339 13.832 ( -0.379 0.000 0.000) 0.379 14.425 ( 0.279 0.000 0.000) 0.279 14.431 ( -0.269 0.000 0.000) 0.269 14.933 ( 8.121 0.000 0.000) 8.121 15.024 ( -0.922 0.000 0.000) 0.922 15.638 ( -0.236 0.000 0.000) 0.236 15.653 ( -2.013 0.000 0.000) 2.013 15.752 ( 5.330 0.000 0.000) 5.330 15.842 ( -3.274 0.000 0.000) 3.274 16.539 ( 3.926 0.000 0.000) 3.926 16.629 ( -4.805 0.000 0.000) 4.805 18.942 ( 3.790 0.000 0.000) 3.790 19.020 ( -3.699 0.000 0.000) 3.699 19.898 ( 0.615 0.000 0.000) 0.615 19.907 ( -0.225 0.000 0.000) 0.225 20.486 ( 0.193 0.000 0.000) 0.193 20.492 ( -0.377 0.000 0.000) 0.377 20.516 ( 0.281 0.000 0.000) 0.281 20.520 ( -0.090 0.000 0.000) 0.090 20.644 ( 8.457 0.000 0.000) 8.457 20.822 ( -8.390 0.000 0.000) 8.390 21.386 ( -0.593 0.000 0.000) 0.593 21.436 ( -5.133 0.000 0.000) 5.133 23.400 ( 8.290 0.000 0.000) 8.290 23.550 ( -6.390 0.000 0.000) 6.390 24.434 ( 6.830 0.000 0.000) 6.830 24.555 ( -5.004 0.000 0.000) 5.004 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 32.477 0.000) 32.477 0.732 ( 0.000 35.872 0.000) 35.872 1.110 ( 0.000 53.832 0.000) 53.832 2.245 ( 0.000 8.767 0.000) 8.767 2.342 ( 0.000 5.942 0.000) 5.942 2.437 ( 0.000 -2.177 0.000) 2.177 2.600 ( 0.000 4.030 0.000) 4.030 2.646 ( 0.000 0.343 0.000) 0.343 2.656 ( 0.000 5.528 0.000) 5.528 2.709 ( 0.000 12.202 0.000) 12.202 3.073 ( 0.000 -2.667 0.000) 2.667 3.087 ( 0.000 3.183 0.000) 3.183 3.167 ( 0.000 6.398 0.000) 6.398 3.224 ( 0.000 7.068 0.000) 7.068 3.316 ( 0.000 0.573 0.000) 0.573 3.384 ( 0.000 11.704 0.000) 11.704 3.529 ( 0.000 5.937 0.000) 5.937 3.657 ( 0.000 -0.408 0.000) 0.408 3.743 ( 0.000 7.679 0.000) 7.679 4.168 ( 0.000 -8.882 0.000) 8.882 4.329 ( 0.000 2.576 0.000) 2.576 4.632 ( 0.000 0.531 0.000) 0.531 4.748 ( 0.000 6.897 0.000) 6.897 5.002 ( 0.000 18.161 0.000) 18.161 5.006 ( 0.000 13.004 0.000) 13.004 5.097 ( 0.000 24.228 0.000) 24.228 5.136 ( 0.000 6.619 0.000) 6.619 5.208 ( 0.000 22.428 0.000) 22.428 5.731 ( 0.000 3.622 0.000) 3.622 5.781 ( 0.000 -0.526 0.000) 0.526 6.122 ( 0.000 2.709 0.000) 2.709 6.244 ( 0.000 0.915 0.000) 0.915 6.809 ( 0.000 3.234 0.000) 3.234 6.824 ( 0.000 2.577 0.000) 2.577 6.988 ( 0.000 1.350 0.000) 1.350 7.200 ( 0.000 1.765 0.000) 1.765 7.284 ( 0.000 2.827 0.000) 2.827 7.417 ( 0.000 1.943 0.000) 1.943 7.706 ( 0.000 -7.861 0.000) 7.861 7.829 ( 0.000 0.030 0.000) 0.030 8.483 ( 0.000 -2.550 0.000) 2.550 8.573 ( 0.000 5.531 0.000) 5.531 8.843 ( 0.000 9.468 0.000) 9.468 9.250 ( 0.000 -7.969 0.000) 7.969 9.302 ( 0.000 4.989 0.000) 4.989 9.397 ( 0.000 -12.912 0.000) 12.912 9.900 ( 0.000 -9.835 0.000) 9.835 9.967 ( 0.000 -3.024 0.000) 3.024 10.186 ( 0.000 16.738 0.000) 16.738 10.516 ( 0.000 0.797 0.000) 0.797 10.583 ( 0.000 16.178 0.000) 16.178 10.617 ( 0.000 -1.659 0.000) 1.659 10.716 ( 0.000 -4.727 0.000) 4.727 11.030 ( 0.000 -3.570 0.000) 3.570 11.276 ( 0.000 17.108 0.000) 17.108 11.327 ( 0.000 -6.576 0.000) 6.576 11.532 ( 0.000 -13.535 0.000) 13.535 11.909 ( 0.000 0.470 0.000) 0.470 11.993 ( 0.000 -5.624 0.000) 5.624 11.996 ( 0.000 17.531 0.000) 17.531 12.062 ( 0.000 5.631 0.000) 5.631 12.251 ( 0.000 -4.294 0.000) 4.294 12.327 ( 0.000 1.150 0.000) 1.150 12.413 ( 0.000 -10.624 0.000) 10.624 12.680 ( 0.000 -24.438 0.000) 24.438 12.735 ( 0.000 -22.845 0.000) 22.845 13.112 ( 0.000 -28.476 0.000) 28.476 13.456 ( 0.000 -24.265 0.000) 24.265 14.089 ( 0.000 10.145 0.000) 10.145 14.135 ( 0.000 -5.526 0.000) 5.526 14.472 ( 0.000 10.303 0.000) 10.303 14.482 ( 0.000 2.043 0.000) 2.043 15.067 ( 0.000 11.733 0.000) 11.733 15.298 ( 0.000 24.712 0.000) 24.712 15.632 ( 0.000 3.181 0.000) 3.181 15.860 ( 0.000 -1.275 0.000) 1.275 15.898 ( 0.000 12.331 0.000) 12.331 16.356 ( 0.000 -0.697 0.000) 0.697 16.436 ( 0.000 -1.362 0.000) 1.362 17.438 ( 0.000 -2.499 0.000) 2.499 18.875 ( 0.000 1.622 0.000) 1.622 18.909 ( 0.000 -22.193 0.000) 22.193 19.118 ( 0.000 1.059 0.000) 1.059 19.309 ( 0.000 -38.427 0.000) 38.427 19.944 ( 0.000 -37.710 0.000) 37.710 20.106 ( 0.000 -29.267 0.000) 29.267 20.519 ( 0.000 0.099 0.000) 0.099 20.984 ( 0.000 25.474 0.000) 25.474 21.462 ( 0.000 30.054 0.000) 30.054 21.530 ( 0.000 4.018 0.000) 4.018 21.565 ( 0.000 14.992 0.000) 14.992 21.655 ( 0.000 17.440 0.000) 17.440 23.187 ( 0.000 2.329 0.000) 2.329 23.636 ( 0.000 -4.949 0.000) 4.949 23.689 ( 0.000 -4.733 0.000) 4.733 24.150 ( 0.000 -8.245 0.000) 8.245 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 16.462 28.081 0.000) 32.551 0.927 ( 22.272 21.185 0.000) 30.739 1.502 ( 32.758 37.646 0.000) 49.903 2.167 ( -12.902 7.789 0.000) 15.071 2.300 ( -13.464 2.455 0.000) 13.686 2.373 ( 9.071 6.143 0.000) 10.955 2.509 ( -7.137 8.647 0.000) 11.212 2.637 ( 0.332 2.341 0.000) 2.364 2.691 ( 4.119 0.920 0.000) 4.221 2.749 ( 2.390 8.159 0.000) 8.502 2.870 ( -10.882 2.005 0.000) 11.065 3.095 ( -6.096 3.214 0.000) 6.892 3.105 ( -4.683 7.331 0.000) 8.700 3.288 ( 5.706 2.416 0.000) 6.196 3.379 ( 3.944 3.922 0.000) 5.562 3.393 ( 2.980 8.772 0.000) 9.264 3.596 ( -6.084 1.283 0.000) 6.218 3.688 ( 10.963 2.678 0.000) 11.285 3.828 ( 5.071 5.031 0.000) 7.143 4.067 ( -12.172 -7.326 0.000) 14.206 4.339 ( 1.692 3.110 0.000) 3.540 4.484 ( -7.929 2.433 0.000) 8.294 4.795 ( 3.559 6.024 0.000) 6.997 4.958 ( 0.209 24.479 0.000) 24.480 4.980 ( -2.450 11.372 0.000) 11.632 5.124 ( -0.730 11.474 0.000) 11.497 5.197 ( 3.457 18.889 0.000) 19.203 5.208 ( -1.350 20.373 0.000) 20.418 5.764 ( 4.600 2.160 0.000) 5.082 5.930 ( 8.704 -3.400 0.000) 9.344 6.081 ( -3.702 2.166 0.000) 4.289 6.207 ( -3.183 -0.668 0.000) 3.252 6.780 ( 1.880 3.118 0.000) 3.641 6.953 ( 6.679 2.611 0.000) 7.172 7.109 ( 5.777 -6.294 0.000) 8.543 7.205 ( -2.025 -1.841 0.000) 2.737 7.329 ( 5.664 2.333 0.000) 6.125 7.461 ( 7.080 4.437 0.000) 8.355 7.758 ( 4.117 -8.375 0.000) 9.332 7.834 ( -2.019 -0.043 0.000) 2.019 8.296 ( -9.459 -4.111 0.000) 10.314 8.548 ( -3.061 2.884 0.000) 4.206 8.871 ( 3.208 11.567 0.000) 12.003 9.088 ( -3.716 13.573 0.000) 14.072 9.373 ( -2.399 -11.162 0.000) 11.417 9.584 ( 7.902 -10.819 0.000) 13.397 9.903 ( 0.464 -8.387 0.000) 8.400 9.982 ( 0.847 0.153 0.000) 0.861 10.188 ( 0.747 12.183 0.000) 12.206 10.438 ( -15.143 0.435 0.000) 15.149 10.504 ( -0.588 3.679 0.000) 3.725 10.592 ( 1.234 11.838 0.000) 11.902 10.659 ( -0.816 2.215 0.000) 2.361 10.974 ( -7.255 -1.654 0.000) 7.441 11.292 ( 2.473 12.537 0.000) 12.779 11.334 ( 0.640 -3.161 0.000) 3.225 11.583 ( 4.530 -12.683 0.000) 13.467 11.813 ( -8.719 4.096 0.000) 9.633 11.842 ( -3.763 -4.424 0.000) 5.808 11.984 ( -26.913 19.043 0.000) 32.969 12.170 ( 7.523 1.705 0.000) 7.714 12.221 ( 7.265 2.027 0.000) 7.543 12.310 ( 8.092 -1.559 0.000) 8.240 12.420 ( 9.342 6.555 0.000) 11.412 12.685 ( 0.522 -25.022 0.000) 25.028 12.744 ( 0.625 -22.612 0.000) 22.620 13.076 ( -3.405 -27.635 0.000) 27.844 13.392 ( -4.774 -28.292 0.000) 28.692 13.989 ( -7.903 5.758 0.000) 9.778 14.149 ( -11.197 3.974 0.000) 11.881 14.401 ( 1.831 6.752 0.000) 6.995 14.515 ( 2.020 5.372 0.000) 5.740 15.102 ( 2.677 10.671 0.000) 11.002 15.118 ( -8.485 27.979 0.000) 29.238 15.677 ( 3.929 2.956 0.000) 4.917 15.809 ( -2.613 3.842 0.000) 4.646 15.931 ( 1.134 9.512 0.000) 9.579 16.116 ( -14.868 25.066 0.000) 29.144 16.450 ( 1.455 -2.173 0.000) 2.615 16.790 ( -18.008 8.149 0.000) 19.766 18.896 ( 2.286 0.981 0.000) 2.487 19.095 ( -2.190 1.021 0.000) 2.417 19.207 ( 9.758 -39.534 0.000) 40.720 19.311 ( 0.195 -38.433 0.000) 38.433 19.941 ( -0.365 -37.413 0.000) 37.415 19.971 ( -5.018 -29.103 0.000) 29.533 20.716 ( 11.104 3.651 0.000) 11.689 20.998 ( 1.350 26.796 0.000) 26.830 21.221 ( -11.267 34.068 0.000) 35.883 21.395 ( -8.348 17.152 0.000) 19.075 21.496 ( -0.777 15.741 0.000) 15.760 21.700 ( -4.301 14.286 0.000) 14.919 23.222 ( 5.793 -0.860 0.000) 5.856 23.601 ( -3.290 -4.704 0.000) 5.740 24.196 ( 19.466 -26.142 0.000) 32.593 24.208 ( 5.052 -8.901 0.000) 10.235 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 22.075 18.056 0.000) 28.519 1.418 ( 24.974 12.421 0.000) 27.892 1.759 ( -18.336 13.379 0.000) 22.698 1.920 ( -22.793 8.012 0.000) 24.160 2.245 ( 25.315 15.297 0.000) 29.578 2.435 ( -1.243 8.133 0.000) 8.227 2.560 ( 6.485 4.220 0.000) 7.737 2.614 ( -2.289 3.596 0.000) 4.263 2.718 ( 1.728 2.677 0.000) 3.186 2.812 ( 6.647 4.491 0.000) 8.021 2.818 ( 4.036 6.762 0.000) 7.875 2.938 ( -9.843 -0.003 0.000) 9.843 3.012 ( -1.620 9.849 0.000) 9.982 3.300 ( -22.381 8.702 0.000) 24.013 3.401 ( 4.599 2.965 0.000) 5.472 3.444 ( -0.749 5.931 0.000) 5.978 3.481 ( 6.151 5.255 0.000) 8.090 3.672 ( -13.725 0.396 0.000) 13.731 3.884 ( 7.522 -1.457 0.000) 7.662 3.959 ( 0.154 -1.863 0.000) 1.869 4.399 ( 3.222 2.167 0.000) 3.883 4.427 ( -0.090 0.701 0.000) 0.706 4.865 ( 2.957 7.134 0.000) 7.723 4.920 ( -3.006 9.005 0.000) 9.494 5.012 ( 4.762 22.268 0.000) 22.771 5.107 ( -2.453 14.658 0.000) 14.861 5.153 ( -1.633 24.140 0.000) 24.196 5.190 ( -3.013 21.380 0.000) 21.591 5.878 ( 5.912 1.678 0.000) 6.146 5.990 ( -5.216 1.955 0.000) 5.570 6.069 ( 5.197 -3.294 0.000) 6.153 6.145 ( -2.889 -3.383 0.000) 4.449 6.887 ( 8.453 2.825 0.000) 8.913 7.049 ( 3.573 0.586 0.000) 3.621 7.083 ( -9.421 -0.187 0.000) 9.423 7.118 ( -3.094 -2.605 0.000) 4.044 7.510 ( 10.746 1.839 0.000) 10.902 7.679 ( 11.029 -0.496 0.000) 11.040 7.708 ( -8.331 1.487 0.000) 8.462 7.809 ( -0.772 -7.563 0.000) 7.602 8.277 ( 5.413 -8.544 0.000) 10.115 8.431 ( -8.237 -3.541 0.000) 8.966 8.981 ( 6.661 16.774 0.000) 18.048 9.053 ( -0.964 15.810 0.000) 15.839 9.333 ( 0.752 -6.003 0.000) 6.050 9.492 ( -12.633 -1.159 0.000) 12.686 9.932 ( 2.033 -3.049 0.000) 3.665 9.972 ( -1.739 2.648 0.000) 3.168 10.234 ( 3.052 -0.891 0.000) 3.179 10.274 ( -2.049 -6.696 0.000) 7.003 10.524 ( 3.245 9.927 0.000) 10.444 10.615 ( -4.083 10.011 0.000) 10.812 10.644 ( 4.274 5.300 0.000) 6.809 10.783 ( -9.726 2.072 0.000) 9.944 11.361 ( 2.111 6.398 0.000) 6.737 11.367 ( 3.424 9.310 0.000) 9.919 11.612 ( -8.278 12.110 0.000) 14.669 11.631 ( -5.319 -0.031 0.000) 5.319 11.701 ( 3.098 -9.836 0.000) 10.312 11.780 ( -3.596 -8.899 0.000) 9.598 12.272 ( 2.675 -0.654 0.000) 2.754 12.286 ( 1.090 -1.095 0.000) 1.545 12.536 ( 10.360 -0.815 0.000) 10.392 12.625 ( 4.346 4.910 0.000) 6.557 12.718 ( 4.487 -20.122 0.000) 20.616 12.754 ( 0.324 -21.039 0.000) 21.041 13.022 ( 1.726 -26.072 0.000) 26.129 13.227 ( -12.726 -23.948 0.000) 27.120 13.850 ( -4.525 1.055 0.000) 4.646 13.871 ( -8.472 6.624 0.000) 10.754 14.495 ( 3.804 4.420 0.000) 5.832 14.534 ( -0.338 7.107 0.000) 7.115 15.085 ( 2.423 14.611 0.000) 14.811 15.129 ( -0.744 9.713 0.000) 9.742 15.760 ( 3.319 2.361 0.000) 4.073 15.784 ( -0.061 5.385 0.000) 5.385 15.929 ( -0.950 14.059 0.000) 14.091 15.944 ( -3.818 23.603 0.000) 23.910 16.499 ( 3.513 -3.647 0.000) 5.064 16.594 ( -6.136 -3.180 0.000) 6.911 18.958 ( 3.726 0.975 0.000) 3.852 19.035 ( -3.666 0.973 0.000) 3.793 19.302 ( 1.697 -39.041 0.000) 39.078 19.314 ( 0.008 -38.533 0.000) 38.533 19.927 ( -0.391 -33.546 0.000) 33.548 19.931 ( -0.508 -36.236 0.000) 36.239 20.929 ( 10.767 11.671 0.000) 15.879 21.033 ( 1.771 31.406 0.000) 31.456 21.096 ( -3.197 28.991 0.000) 29.167 21.176 ( -11.878 8.823 0.000) 14.796 21.510 ( 2.207 19.208 0.000) 19.335 21.588 ( -5.420 16.906 0.000) 17.753 23.368 ( 7.724 -2.826 0.000) 8.225 23.508 ( -5.966 -3.982 0.000) 7.173 24.315 ( 4.756 -11.169 0.000) 12.139 24.364 ( 0.977 -16.531 0.000) 16.560 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 30.864 0.000) 30.864 1.411 ( 0.000 31.876 0.000) 31.876 2.116 ( 0.000 46.665 0.000) 46.665 2.448 ( 0.000 3.696 0.000) 3.696 2.482 ( 0.000 13.856 0.000) 13.856 2.499 ( 0.000 9.917 0.000) 9.917 2.646 ( 0.000 0.322 0.000) 0.322 2.717 ( 0.000 7.591 0.000) 7.591 2.778 ( 0.000 6.704 0.000) 6.704 2.987 ( 0.000 13.032 0.000) 13.032 3.069 ( 0.000 1.883 0.000) 1.883 3.171 ( 0.000 5.067 0.000) 5.067 3.302 ( 0.000 -0.911 0.000) 0.911 3.327 ( 0.000 8.822 0.000) 8.822 3.424 ( 0.000 11.024 0.000) 11.024 3.627 ( 0.000 12.298 0.000) 12.298 3.681 ( 0.000 9.780 0.000) 9.780 3.707 ( 0.000 5.356 0.000) 5.356 3.923 ( 0.000 9.056 0.000) 9.056 3.989 ( 0.000 -8.945 0.000) 8.945 4.433 ( 0.000 7.693 0.000) 7.693 4.689 ( 0.000 5.416 0.000) 5.416 4.861 ( 0.000 5.634 0.000) 5.634 5.070 ( 0.000 -0.414 0.000) 0.414 5.500 ( 0.000 26.650 0.000) 26.650 5.570 ( 0.000 18.806 0.000) 18.806 5.596 ( 0.000 30.075 0.000) 30.075 5.713 ( 0.000 12.268 0.000) 12.268 5.817 ( 0.000 17.833 0.000) 17.833 5.833 ( 0.000 7.657 0.000) 7.657 6.244 ( 0.000 11.401 0.000) 11.401 6.323 ( 0.000 9.583 0.000) 9.583 6.890 ( 0.000 3.698 0.000) 3.698 6.902 ( 0.000 5.998 0.000) 5.998 7.032 ( 0.000 3.248 0.000) 3.248 7.171 ( 0.000 -3.505 0.000) 3.505 7.374 ( 0.000 6.446 0.000) 6.446 7.565 ( 0.000 12.216 0.000) 12.216 7.572 ( 0.000 -4.508 0.000) 4.508 7.817 ( 0.000 -1.692 0.000) 1.692 8.447 ( 0.000 -0.286 0.000) 0.286 8.667 ( 0.000 4.290 0.000) 4.290 9.092 ( 0.000 13.929 0.000) 13.929 9.106 ( 0.000 -5.382 0.000) 5.382 9.151 ( 0.000 -11.211 0.000) 11.211 9.411 ( 0.000 5.383 0.000) 5.383 9.623 ( 0.000 -14.540 0.000) 14.540 9.958 ( 0.000 2.380 0.000) 2.380 10.323 ( 0.000 -2.684 0.000) 2.684 10.524 ( 0.000 -11.861 0.000) 11.861 10.546 ( 0.000 2.077 0.000) 2.077 10.667 ( 0.000 0.214 0.000) 0.214 10.952 ( 0.000 -4.150 0.000) 4.150 11.035 ( 0.000 25.064 0.000) 25.064 11.225 ( 0.000 -16.181 0.000) 16.181 11.362 ( 0.000 9.761 0.000) 9.761 11.533 ( 0.000 6.811 0.000) 6.811 11.680 ( 0.000 -25.762 0.000) 25.762 11.924 ( 0.000 -15.144 0.000) 15.144 12.005 ( 0.000 -27.302 0.000) 27.302 12.074 ( 0.000 -31.934 0.000) 31.934 12.136 ( 0.000 3.181 0.000) 3.181 12.155 ( 0.000 -1.220 0.000) 1.220 12.328 ( 0.000 -4.887 0.000) 4.887 12.347 ( 0.000 1.166 0.000) 1.166 12.354 ( 0.000 16.697 0.000) 16.697 12.685 ( 0.000 -12.923 0.000) 12.923 13.149 ( 0.000 -5.673 0.000) 5.673 14.013 ( 0.000 -7.277 0.000) 7.277 14.194 ( 0.000 1.533 0.000) 1.533 14.468 ( 0.000 -3.268 0.000) 3.268 14.619 ( 0.000 3.686 0.000) 3.686 15.372 ( 0.000 16.437 0.000) 16.437 15.680 ( 0.000 10.221 0.000) 10.221 15.748 ( 0.000 8.596 0.000) 8.596 15.847 ( 0.000 1.354 0.000) 1.354 16.090 ( 0.000 2.611 0.000) 2.611 16.393 ( 0.000 6.155 0.000) 6.155 16.491 ( 0.000 9.629 0.000) 9.629 17.367 ( 0.000 -4.540 0.000) 4.540 18.427 ( 0.000 -23.768 0.000) 23.768 18.559 ( 0.000 -35.733 0.000) 35.733 18.854 ( 0.000 -8.453 0.000) 8.453 18.981 ( 0.000 -30.106 0.000) 30.106 19.315 ( 0.000 -9.779 0.000) 9.779 19.495 ( 0.000 -26.093 0.000) 26.093 20.489 ( 0.000 -3.107 0.000) 3.107 21.179 ( 0.000 -3.122 0.000) 3.122 21.819 ( 0.000 21.219 0.000) 21.219 21.829 ( 0.000 10.655 0.000) 10.655 22.022 ( 0.000 25.526 0.000) 25.526 22.031 ( 0.000 17.935 0.000) 17.935 23.252 ( 0.000 3.923 0.000) 3.923 23.500 ( 0.000 -8.233 0.000) 8.233 23.565 ( 0.000 -7.128 0.000) 7.128 23.922 ( 0.000 -14.155 0.000) 14.155 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 10.702 24.827 0.000) 27.036 1.502 ( 8.866 29.196 0.000) 30.512 2.297 ( 9.610 34.975 0.000) 36.271 2.374 ( -4.623 15.094 0.000) 15.786 2.375 ( -8.671 5.744 0.000) 10.401 2.561 ( 7.274 13.279 0.000) 15.141 2.684 ( -5.556 5.773 0.000) 8.012 2.706 ( 5.029 1.271 0.000) 5.187 2.745 ( 0.231 9.254 0.000) 9.257 2.933 ( -1.244 9.153 0.000) 9.237 2.956 ( -6.612 6.465 0.000) 9.248 3.169 ( -7.837 4.840 0.000) 9.211 3.256 ( 3.633 5.682 0.000) 6.744 3.400 ( -1.917 9.186 0.000) 9.384 3.493 ( 7.802 7.074 0.000) 10.532 3.599 ( 1.286 10.841 0.000) 10.917 3.659 ( -4.258 4.976 0.000) 6.550 3.779 ( 5.797 7.130 0.000) 9.190 3.924 ( -5.067 -0.649 0.000) 5.108 3.971 ( 0.553 2.356 0.000) 2.420 4.456 ( 2.246 8.230 0.000) 8.531 4.594 ( -6.969 8.597 0.000) 11.067 4.886 ( 2.694 4.195 0.000) 4.985 5.054 ( -1.662 0.673 0.000) 1.793 5.513 ( 1.620 27.492 0.000) 27.539 5.611 ( 1.794 30.250 0.000) 30.303 5.639 ( 5.564 18.637 0.000) 19.450 5.709 ( -1.276 20.950 0.000) 20.988 5.864 ( 5.011 6.377 0.000) 8.110 5.897 ( 4.744 8.112 0.000) 9.398 6.176 ( -6.387 10.117 0.000) 11.964 6.261 ( -5.659 9.195 0.000) 10.797 6.863 ( 2.293 4.913 0.000) 5.422 7.030 ( 5.752 5.044 0.000) 7.650 7.073 ( 2.857 1.244 0.000) 3.116 7.152 ( -1.793 -2.628 0.000) 3.181 7.401 ( 4.539 4.795 0.000) 6.603 7.602 ( 3.780 8.762 0.000) 9.543 7.617 ( 3.297 -4.643 0.000) 5.694 7.838 ( 0.301 0.137 0.000) 0.330 8.244 ( -12.682 -0.593 0.000) 12.696 8.571 ( -8.685 0.062 0.000) 8.685 9.153 ( 6.056 14.119 0.000) 15.363 9.183 ( 2.399 -6.517 0.000) 6.944 9.195 ( 3.097 0.153 0.000) 3.100 9.477 ( 5.947 -1.599 0.000) 6.158 9.678 ( 5.767 -10.177 0.000) 11.697 9.999 ( 3.085 2.246 0.000) 3.816 10.243 ( -6.134 -4.953 0.000) 7.884 10.400 ( -11.184 -5.849 0.000) 12.621 10.572 ( 1.100 3.411 0.000) 3.584 10.720 ( 3.825 1.042 0.000) 3.964 10.899 ( -3.705 -3.655 0.000) 5.205 10.981 ( -3.423 19.317 0.000) 19.618 11.295 ( 5.769 -12.900 0.000) 14.131 11.400 ( 4.132 7.428 0.000) 8.499 11.510 ( -1.514 4.502 0.000) 4.750 11.719 ( 1.233 -15.599 0.000) 15.648 11.811 ( -10.171 -0.590 0.000) 10.188 11.942 ( -9.041 -15.143 0.000) 17.637 12.023 ( 1.083 -28.356 0.000) 28.377 12.069 ( -0.335 -29.581 0.000) 29.583 12.143 ( -5.803 -5.092 0.000) 7.720 12.329 ( 4.498 5.105 0.000) 6.804 12.386 ( 6.211 -4.134 0.000) 7.461 12.605 ( 8.284 5.011 0.000) 9.681 12.677 ( 2.910 -4.068 0.000) 5.002 13.015 ( -8.785 -6.664 0.000) 11.026 14.033 ( -11.159 -0.247 0.000) 11.162 14.088 ( 2.764 -6.725 0.000) 7.271 14.561 ( -4.230 5.574 0.000) 6.998 14.563 ( 5.204 -0.916 0.000) 5.284 15.379 ( 0.476 15.128 0.000) 15.135 15.573 ( -8.683 14.767 0.000) 17.131 15.778 ( 2.655 7.618 0.000) 8.067 15.844 ( 0.158 2.955 0.000) 2.960 16.138 ( 4.474 3.744 0.000) 5.834 16.397 ( 0.370 8.553 0.000) 8.561 16.480 ( -1.039 9.005 0.000) 9.065 16.980 ( -27.303 8.305 0.000) 28.538 18.494 ( 3.915 -30.842 0.000) 31.089 18.561 ( 0.189 -35.726 0.000) 35.727 18.867 ( 1.140 -11.096 0.000) 11.155 18.968 ( -1.266 -28.141 0.000) 28.170 19.312 ( -0.234 -11.068 0.000) 11.070 19.402 ( -5.518 -21.904 0.000) 22.589 20.674 ( 13.503 -5.595 0.000) 14.617 21.173 ( -1.040 -4.702 0.000) 4.816 21.733 ( -6.107 18.090 0.000) 19.093 21.748 ( -6.027 22.751 0.000) 23.536 22.010 ( -1.093 25.171 0.000) 25.194 22.035 ( -1.243 16.821 0.000) 16.867 23.232 ( 1.591 1.892 0.000) 2.472 23.475 ( -2.449 -7.625 0.000) 8.009 23.797 ( 14.792 -15.180 0.000) 21.195 23.967 ( 3.719 -14.664 0.000) 15.128 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 17.845 14.702 0.000) 23.121 1.744 ( 14.361 23.056 0.000) 27.163 2.067 ( -15.498 16.450 0.000) 22.601 2.082 ( -18.431 8.160 0.000) 20.156 2.596 ( 6.415 13.802 0.000) 15.220 2.631 ( 0.138 8.838 0.000) 8.839 2.742 ( 5.639 16.111 0.000) 17.070 2.742 ( -0.624 9.472 0.000) 9.493 2.781 ( 3.935 3.457 0.000) 5.238 2.956 ( 7.676 10.486 0.000) 12.995 2.964 ( 2.099 7.456 0.000) 7.746 2.988 ( -8.912 5.695 0.000) 10.576 3.267 ( 3.557 15.226 0.000) 15.636 3.453 ( 6.130 2.314 0.000) 6.552 3.507 ( -10.564 10.005 0.000) 14.550 3.582 ( -3.599 7.600 0.000) 8.409 3.646 ( 2.361 10.269 0.000) 10.537 3.717 ( -9.325 5.154 0.000) 10.654 3.889 ( 4.967 2.780 0.000) 5.692 3.964 ( -2.180 2.405 0.000) 3.246 4.503 ( 1.640 7.722 0.000) 7.895 4.516 ( -0.765 8.011 0.000) 8.047 4.950 ( 3.191 3.361 0.000) 4.635 5.008 ( -2.657 2.658 0.000) 3.758 5.567 ( 3.568 28.113 0.000) 28.338 5.635 ( -1.987 31.965 0.000) 32.026 5.697 ( 2.385 24.794 0.000) 24.908 5.729 ( 1.715 25.839 0.000) 25.896 5.974 ( 2.559 3.441 0.000) 4.289 5.985 ( 6.566 4.177 0.000) 7.782 6.037 ( -5.555 2.479 0.000) 6.083 6.125 ( -7.233 8.270 0.000) 10.987 6.966 ( 7.016 4.714 0.000) 8.453 7.086 ( 0.806 3.583 0.000) 3.673 7.093 ( -2.857 0.947 0.000) 3.010 7.099 ( -2.154 1.527 0.000) 2.640 7.566 ( 9.972 3.678 0.000) 10.629 7.673 ( 1.979 -5.335 0.000) 5.690 7.677 ( 1.950 -0.026 0.000) 1.950 7.750 ( -7.988 2.686 0.000) 8.427 8.168 ( 5.446 -2.431 0.000) 5.964 8.359 ( -11.449 -3.168 0.000) 11.879 9.207 ( 0.687 -1.086 0.000) 1.286 9.213 ( -0.038 2.173 0.000) 2.174 9.339 ( 10.844 12.527 0.000) 16.569 9.514 ( -4.174 1.465 0.000) 4.424 9.851 ( 9.804 -2.164 0.000) 10.040 10.005 ( -4.262 1.594 0.000) 4.551 10.143 ( -2.484 -6.910 0.000) 7.343 10.181 ( -7.463 -3.653 0.000) 8.309 10.593 ( 2.560 -0.206 0.000) 2.568 10.691 ( -5.904 -4.687 0.000) 7.538 10.913 ( 3.471 10.974 0.000) 11.510 10.945 ( -0.466 17.386 0.000) 17.392 11.429 ( 7.434 -13.170 0.000) 15.123 11.507 ( 1.967 1.339 0.000) 2.380 11.521 ( 6.292 6.089 0.000) 8.756 11.600 ( -9.624 -4.633 0.000) 10.681 11.653 ( -4.790 -1.962 0.000) 5.177 11.752 ( -9.858 -4.935 0.000) 11.024 12.041 ( 0.858 -30.721 0.000) 30.733 12.059 ( -0.877 -31.739 0.000) 31.751 12.174 ( 6.935 -13.774 0.000) 15.421 12.313 ( -5.221 -4.891 0.000) 7.154 12.502 ( 4.510 -6.189 0.000) 7.658 12.583 ( -3.631 -10.031 0.000) 10.668 12.872 ( 8.210 9.863 0.000) 12.833 12.934 ( -0.076 -2.041 0.000) 2.043 13.871 ( -2.370 1.054 0.000) 2.594 13.981 ( -10.696 2.064 0.000) 10.893 14.557 ( 3.435 2.076 0.000) 4.013 14.611 ( -0.610 0.287 0.000) 0.674 15.387 ( 0.624 14.525 0.000) 14.539 15.430 ( -4.439 16.631 0.000) 17.213 15.834 ( 2.363 6.047 0.000) 6.492 15.855 ( 0.277 4.862 0.000) 4.870 16.267 ( 8.565 9.778 0.000) 12.999 16.404 ( -0.490 17.211 0.000) 17.218 16.455 ( -1.095 5.422 0.000) 5.531 16.541 ( -15.091 1.615 0.000) 15.177 18.548 ( 1.550 -34.838 0.000) 34.872 18.563 ( -0.147 -35.663 0.000) 35.663 18.896 ( 1.693 -16.528 0.000) 16.614 18.934 ( -1.971 -22.920 0.000) 23.005 19.311 ( 0.225 -14.299 0.000) 14.301 19.330 ( -1.946 -18.029 0.000) 18.133 20.928 ( 11.308 -6.191 0.000) 12.892 21.108 ( -6.138 -7.080 0.000) 9.370 21.642 ( -3.035 24.926 0.000) 25.110 21.642 ( -2.637 22.749 0.000) 22.901 21.989 ( -0.665 23.548 0.000) 23.558 21.997 ( -1.566 20.326 0.000) 20.386 23.310 ( 5.075 -2.456 0.000) 5.638 23.407 ( -4.261 -5.693 0.000) 7.111 24.004 ( 5.376 -17.948 0.000) 18.735 24.032 ( 1.802 -16.215 0.000) 16.315 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 27.666 0.000) 27.666 1.988 ( 0.000 25.891 0.000) 25.891 2.582 ( 0.000 9.329 0.000) 9.329 2.673 ( 0.000 8.875 0.000) 8.875 2.683 ( 0.000 3.753 0.000) 3.753 2.786 ( 0.000 16.619 0.000) 16.619 2.888 ( 0.000 9.051 0.000) 9.051 2.919 ( 0.000 7.149 0.000) 7.149 2.979 ( 0.000 36.068 0.000) 36.068 3.075 ( 0.000 -3.796 0.000) 3.796 3.140 ( 0.000 6.538 0.000) 6.538 3.289 ( 0.000 6.721 0.000) 6.721 3.391 ( 0.000 8.793 0.000) 8.793 3.478 ( 0.000 4.787 0.000) 4.787 3.590 ( 0.000 5.633 0.000) 5.633 3.820 ( 0.000 -7.019 0.000) 7.019 3.858 ( 0.000 9.721 0.000) 9.721 3.863 ( 0.000 11.187 0.000) 11.187 3.934 ( 0.000 14.837 0.000) 14.837 4.067 ( 0.000 4.994 0.000) 4.994 4.613 ( 0.000 9.746 0.000) 9.746 4.856 ( 0.000 11.171 0.000) 11.171 4.985 ( 0.000 6.696 0.000) 6.696 5.056 ( 0.000 -0.710 0.000) 0.710 5.729 ( 0.000 -0.677 0.000) 0.677 5.745 ( 0.000 1.088 0.000) 1.088 5.845 ( 0.000 1.103 0.000) 1.103 5.897 ( 0.000 12.789 0.000) 12.789 6.337 ( 0.000 32.999 0.000) 32.999 6.364 ( 0.000 24.918 0.000) 24.918 6.637 ( 0.000 25.988 0.000) 25.988 6.666 ( 0.000 21.491 0.000) 21.491 6.957 ( 0.000 2.879 0.000) 2.879 7.047 ( 0.000 8.737 0.000) 8.737 7.133 ( 0.000 7.595 0.000) 7.595 7.141 ( 0.000 2.465 0.000) 2.465 7.543 ( 0.000 10.389 0.000) 10.389 7.554 ( 0.000 3.323 0.000) 3.323 7.737 ( 0.000 -6.811 0.000) 6.811 7.843 ( 0.000 14.423 0.000) 14.423 8.496 ( 0.000 5.812 0.000) 5.812 8.757 ( 0.000 5.127 0.000) 5.127 8.979 ( 0.000 -5.256 0.000) 5.256 9.061 ( 0.000 1.097 0.000) 1.097 9.358 ( 0.000 11.984 0.000) 11.984 9.430 ( 0.000 -3.063 0.000) 3.063 9.514 ( 0.000 5.318 0.000) 5.318 10.040 ( 0.000 3.777 0.000) 3.777 10.203 ( 0.000 -5.576 0.000) 5.576 10.208 ( 0.000 -18.912 0.000) 18.912 10.552 ( 0.000 -4.126 0.000) 4.126 10.596 ( 0.000 -7.954 0.000) 7.954 10.816 ( 0.000 -14.198 0.000) 14.198 10.898 ( 0.000 -19.029 0.000) 19.029 11.174 ( 0.000 -36.544 0.000) 36.544 11.175 ( 0.000 -15.608 0.000) 15.608 11.356 ( 0.000 -29.088 0.000) 29.088 11.438 ( 0.000 -21.155 0.000) 21.155 11.450 ( 0.000 17.057 0.000) 17.057 11.599 ( 0.000 -0.056 0.000) 0.056 11.884 ( 0.000 17.033 0.000) 17.033 12.018 ( 0.000 -9.224 0.000) 9.224 12.383 ( 0.000 2.318 0.000) 2.318 12.424 ( 0.000 7.345 0.000) 7.345 12.502 ( 0.000 23.099 0.000) 23.099 12.516 ( 0.000 -5.946 0.000) 5.946 12.687 ( 0.000 16.426 0.000) 16.426 13.152 ( 0.000 4.153 0.000) 4.153 13.836 ( 0.000 -10.534 0.000) 10.534 14.192 ( 0.000 -0.884 0.000) 0.884 14.367 ( 0.000 -6.661 0.000) 6.661 14.619 ( 0.000 -3.209 0.000) 3.209 15.601 ( 0.000 5.647 0.000) 5.647 15.690 ( 0.000 -6.944 0.000) 6.944 15.956 ( 0.000 11.178 0.000) 11.178 16.010 ( 0.000 15.787 0.000) 15.787 16.012 ( 0.000 -8.554 0.000) 8.554 16.588 ( 0.000 10.920 0.000) 10.920 16.756 ( 0.000 13.803 0.000) 13.803 17.253 ( 0.000 -7.444 0.000) 7.444 17.917 ( 0.000 -27.936 0.000) 27.936 18.023 ( 0.000 -15.975 0.000) 15.975 18.143 ( 0.000 -46.350 0.000) 46.350 18.355 ( 0.000 -35.748 0.000) 35.748 19.296 ( 0.000 1.807 0.000) 1.807 19.342 ( 0.000 5.145 0.000) 5.145 20.402 ( 0.000 -5.482 0.000) 5.482 21.034 ( 0.000 -9.941 0.000) 9.941 21.984 ( 0.000 5.254 0.000) 5.254 22.187 ( 0.000 14.251 0.000) 14.251 22.309 ( 0.000 9.204 0.000) 9.204 22.462 ( 0.000 18.292 0.000) 18.292 23.328 ( 0.000 -8.530 0.000) 8.530 23.332 ( 0.000 3.790 0.000) 3.790 23.431 ( 0.000 -5.694 0.000) 5.694 23.612 ( 0.000 -16.338 0.000) 16.338 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.396 24.193 0.000) 24.311 2.041 ( 5.181 24.448 0.000) 24.991 2.522 ( -9.106 8.102 0.000) 12.189 2.571 ( -7.609 9.850 0.000) 12.446 2.752 ( 4.049 4.065 0.000) 5.738 2.781 ( -4.119 4.371 0.000) 6.007 2.798 ( 1.630 15.267 0.000) 15.354 2.923 ( 0.188 8.327 0.000) 8.329 3.049 ( 2.093 19.140 0.000) 19.254 3.071 ( 1.102 5.450 0.000) 5.561 3.150 ( 4.536 20.990 0.000) 21.475 3.295 ( -7.584 5.944 0.000) 9.635 3.355 ( 6.102 5.467 0.000) 8.193 3.574 ( -2.264 7.373 0.000) 7.713 3.637 ( 8.917 7.110 0.000) 11.405 3.754 ( -3.042 1.202 0.000) 3.271 3.810 ( -0.799 10.836 0.000) 10.866 3.900 ( 0.558 4.091 0.000) 4.129 3.990 ( 2.569 13.290 0.000) 13.536 4.066 ( -0.130 4.043 0.000) 4.045 4.637 ( 1.963 9.143 0.000) 9.352 4.812 ( -4.537 12.604 0.000) 13.395 4.985 ( 0.942 5.976 0.000) 6.050 5.062 ( 0.315 0.348 0.000) 0.470 5.767 ( 1.951 -1.097 0.000) 2.238 5.779 ( 4.364 -1.138 0.000) 4.510 5.851 ( 0.493 -0.215 0.000) 0.538 5.904 ( 0.789 10.934 0.000) 10.962 6.330 ( -0.033 32.448 0.000) 32.448 6.407 ( 3.493 26.577 0.000) 26.806 6.576 ( -5.168 24.974 0.000) 25.503 6.639 ( -3.167 26.315 0.000) 26.505 6.969 ( 3.117 5.729 0.000) 6.522 7.143 ( 0.758 3.311 0.000) 3.397 7.148 ( 6.016 6.738 0.000) 9.033 7.149 ( 0.897 6.613 0.000) 6.674 7.495 ( 0.313 4.450 0.000) 4.461 7.625 ( 3.115 6.270 0.000) 7.001 7.702 ( -2.121 -2.524 0.000) 3.296 7.891 ( 1.904 7.914 0.000) 8.140 8.309 ( -12.121 7.893 0.000) 14.464 8.580 ( -12.463 1.969 0.000) 12.618 9.093 ( 6.498 -1.371 0.000) 6.641 9.190 ( 6.847 0.355 0.000) 6.857 9.418 ( 0.783 -2.059 0.000) 2.203 9.424 ( 6.178 11.276 0.000) 12.858 9.636 ( 10.907 4.630 0.000) 11.849 10.049 ( -0.425 -1.274 0.000) 1.343 10.121 ( -5.446 -2.202 0.000) 5.874 10.179 ( -3.015 -15.974 0.000) 16.256 10.567 ( -0.272 -6.153 0.000) 6.159 10.636 ( -0.484 -8.592 0.000) 8.605 10.833 ( 5.483 -8.457 0.000) 10.079 10.967 ( 6.855 -16.726 0.000) 18.076 11.165 ( 0.082 -5.561 0.000) 5.562 11.185 ( 0.972 -36.630 0.000) 36.642 11.284 ( -4.748 -28.780 0.000) 29.170 11.453 ( -0.020 -20.812 0.000) 20.812 11.492 ( 2.807 7.874 0.000) 8.359 11.558 ( -3.121 -3.811 0.000) 4.925 11.908 ( 2.181 15.201 0.000) 15.356 11.913 ( -10.036 -3.562 0.000) 10.649 12.138 ( -15.946 1.535 0.000) 16.020 12.439 ( 0.271 5.615 0.000) 5.622 12.524 ( 0.708 -3.003 0.000) 3.085 12.529 ( 1.477 16.192 0.000) 16.259 12.885 ( 11.900 11.956 0.000) 16.869 13.029 ( -7.812 5.128 0.000) 9.344 13.917 ( 4.971 -9.995 0.000) 11.163 14.012 ( -10.787 -1.406 0.000) 10.879 14.498 ( 6.615 -4.998 0.000) 8.291 14.599 ( -1.711 -1.337 0.000) 2.172 15.598 ( -0.212 5.748 0.000) 5.752 15.657 ( -2.569 -4.261 0.000) 4.975 15.985 ( 2.435 11.360 0.000) 11.618 16.010 ( 1.370 9.806 0.000) 9.901 16.086 ( 5.783 -1.688 0.000) 6.025 16.579 ( -1.198 9.734 0.000) 9.807 16.748 ( -0.663 14.002 0.000) 14.018 17.087 ( -15.096 2.141 0.000) 15.247 17.912 ( -0.493 -29.545 0.000) 29.549 17.959 ( -4.244 -23.373 0.000) 23.755 18.161 ( 1.792 -43.862 0.000) 43.898 18.329 ( -2.253 -34.635 0.000) 34.708 19.278 ( -0.913 3.337 0.000) 3.459 19.331 ( -1.087 5.118 0.000) 5.232 20.537 ( 11.053 -7.810 0.000) 13.534 21.012 ( -2.400 -10.293 0.000) 10.569 21.977 ( -0.488 7.504 0.000) 7.520 22.127 ( -5.053 14.335 0.000) 15.200 22.309 ( 0.165 9.751 0.000) 9.753 22.439 ( -2.276 17.401 0.000) 17.549 23.285 ( -1.432 2.964 0.000) 3.292 23.318 ( -0.715 -7.478 0.000) 7.512 23.555 ( 8.023 -9.324 0.000) 12.301 23.653 ( 3.346 -16.041 0.000) 16.386 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 9.091 15.921 0.000) 18.333 2.186 ( 8.529 20.653 0.000) 22.345 2.247 ( -14.357 8.251 0.000) 16.559 2.386 ( -10.185 15.095 0.000) 18.209 2.790 ( 2.255 8.090 0.000) 8.399 2.810 ( 0.842 7.989 0.000) 8.033 2.862 ( 4.175 6.883 0.000) 8.050 2.917 ( -1.169 7.027 0.000) 7.124 3.049 ( 0.943 12.215 0.000) 12.251 3.127 ( 2.426 8.622 0.000) 8.957 3.137 ( -5.046 8.319 0.000) 9.730 3.218 ( -1.986 13.663 0.000) 13.806 3.491 ( 5.188 1.472 0.000) 5.393 3.608 ( -6.187 2.231 0.000) 6.577 3.614 ( 10.178 19.112 0.000) 21.653 3.810 ( -2.419 13.383 0.000) 13.600 3.843 ( 2.315 9.160 0.000) 9.448 3.851 ( -1.202 7.213 0.000) 7.312 4.022 ( 0.955 10.243 0.000) 10.288 4.048 ( -1.677 5.061 0.000) 5.332 4.674 ( 1.578 8.579 0.000) 8.723 4.718 ( -3.556 11.348 0.000) 11.892 5.023 ( 2.280 4.413 0.000) 4.967 5.057 ( -0.933 2.558 0.000) 2.723 5.811 ( 2.113 -4.406 0.000) 4.886 5.839 ( -0.263 -6.417 0.000) 6.422 5.883 ( 3.415 3.450 0.000) 4.854 5.919 ( 0.062 6.033 0.000) 6.034 6.353 ( 2.936 32.243 0.000) 32.376 6.453 ( -6.414 28.675 0.000) 29.384 6.483 ( 3.769 29.133 0.000) 29.375 6.560 ( -4.060 30.060 0.000) 30.333 7.067 ( 5.570 5.877 0.000) 8.097 7.147 ( -1.725 4.703 0.000) 5.009 7.171 ( 1.774 6.265 0.000) 6.511 7.201 ( -0.444 7.672 0.000) 7.685 7.572 ( 5.177 -2.522 0.000) 5.759 7.653 ( -3.170 -2.966 0.000) 4.341 7.696 ( 5.259 7.414 0.000) 9.090 7.835 ( -6.975 6.440 0.000) 9.493 8.202 ( 2.374 6.692 0.000) 7.101 8.342 ( -10.357 2.708 0.000) 10.705 9.191 ( 3.463 0.754 0.000) 3.544 9.238 ( -1.012 1.596 0.000) 1.889 9.492 ( 5.454 -2.449 0.000) 5.979 9.542 ( 2.737 5.934 0.000) 6.535 9.892 ( 12.520 5.190 0.000) 13.553 9.995 ( -0.384 -6.825 0.000) 6.836 10.063 ( -3.699 3.588 0.000) 5.153 10.084 ( -6.217 -7.444 0.000) 9.699 10.519 ( -2.915 -8.186 0.000) 8.690 10.539 ( -5.268 -9.338 0.000) 10.721 11.049 ( 11.601 -5.438 0.000) 12.812 11.132 ( 5.934 -25.247 0.000) 25.935 11.178 ( 0.134 -0.561 0.000) 0.576 11.212 ( -2.443 -25.769 0.000) 25.885 11.242 ( 7.001 -18.484 0.000) 19.766 11.404 ( -5.510 -12.479 0.000) 13.641 11.529 ( 1.446 -14.241 0.000) 14.314 11.530 ( 1.543 -5.130 0.000) 5.357 11.682 ( -9.978 1.012 0.000) 10.029 11.745 ( -14.448 1.399 0.000) 14.516 12.102 ( 9.969 5.699 0.000) 11.483 12.332 ( -10.835 4.663 0.000) 11.796 12.541 ( 0.782 2.543 0.000) 2.660 12.546 ( 0.327 8.023 0.000) 8.030 12.989 ( 3.455 5.615 0.000) 6.593 13.037 ( 1.824 6.872 0.000) 7.110 13.881 ( -0.757 -0.425 0.000) 0.868 13.938 ( -3.165 -5.533 0.000) 6.374 14.574 ( 1.207 -3.178 0.000) 3.399 14.576 ( -0.088 -0.361 0.000) 0.371 15.597 ( 0.223 4.602 0.000) 4.607 15.613 ( -1.534 0.821 0.000) 1.740 16.031 ( 1.621 12.053 0.000) 12.162 16.039 ( 0.847 12.273 0.000) 12.302 16.255 ( 11.243 -1.280 0.000) 11.315 16.492 ( -9.453 3.615 0.000) 10.121 16.738 ( 0.052 14.649 0.000) 14.649 16.801 ( -8.816 13.379 0.000) 16.023 17.902 ( -0.360 -31.732 0.000) 31.734 17.906 ( -1.075 -30.738 0.000) 30.756 18.210 ( 2.978 -39.054 0.000) 39.167 18.274 ( -3.155 -35.411 0.000) 35.552 19.278 ( 0.820 4.555 0.000) 4.629 19.303 ( -1.525 4.982 0.000) 5.210 20.761 ( 10.267 -9.878 0.000) 14.247 20.928 ( -6.209 -10.605 0.000) 12.289 21.978 ( 0.936 11.235 0.000) 11.274 22.027 ( -4.090 13.743 0.000) 14.338 22.326 ( 1.822 12.059 0.000) 12.196 22.380 ( -3.226 15.027 0.000) 15.369 23.284 ( 0.818 -0.088 0.000) 0.823 23.303 ( -0.875 -4.241 0.000) 4.331 23.682 ( 3.978 -13.932 0.000) 14.489 23.707 ( 1.243 -15.579 0.000) 15.628 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.000 22.521 0.000) 22.521 2.436 ( 0.000 18.888 0.000) 18.888 2.795 ( 0.000 11.207 0.000) 11.207 2.797 ( 0.000 7.509 0.000) 7.509 2.832 ( 0.000 7.034 0.000) 7.034 2.926 ( 0.000 -7.303 0.000) 7.303 3.036 ( 0.000 3.395 0.000) 3.395 3.083 ( 0.000 12.432 0.000) 12.432 3.090 ( 0.000 8.350 0.000) 8.350 3.219 ( 0.000 5.988 0.000) 5.988 3.428 ( 0.000 6.719 0.000) 6.719 3.460 ( 0.000 -4.869 0.000) 4.869 3.531 ( 0.000 4.726 0.000) 4.726 3.680 ( 0.000 4.089 0.000) 4.089 3.689 ( 0.000 30.171 0.000) 30.171 3.760 ( 0.000 -0.021 0.000) 0.021 4.062 ( 0.000 8.540 0.000) 8.540 4.085 ( 0.000 12.419 0.000) 12.419 4.143 ( 0.000 3.719 0.000) 3.719 4.231 ( 0.000 14.460 0.000) 14.460 4.798 ( 0.000 8.429 0.000) 8.429 5.050 ( 0.000 0.289 0.000) 0.289 5.094 ( 0.000 11.219 0.000) 11.219 5.118 ( 0.000 6.536 0.000) 6.536 5.730 ( 0.000 1.034 0.000) 1.034 5.741 ( 0.000 0.806 0.000) 0.806 5.808 ( 0.000 -3.871 0.000) 3.871 6.084 ( 0.000 7.229 0.000) 7.229 6.717 ( 0.000 10.969 0.000) 10.969 6.832 ( 0.000 14.519 0.000) 14.519 7.006 ( 0.000 2.362 0.000) 2.362 7.046 ( 0.000 15.735 0.000) 15.735 7.096 ( 0.000 16.971 0.000) 16.971 7.271 ( 0.000 13.938 0.000) 13.938 7.328 ( 0.000 8.388 0.000) 8.388 7.347 ( 0.000 18.175 0.000) 18.175 7.578 ( 0.000 -5.169 0.000) 5.169 7.706 ( 0.000 10.833 0.000) 10.833 7.779 ( 0.000 12.881 0.000) 12.881 8.106 ( 0.000 11.759 0.000) 11.759 8.694 ( 0.000 13.900 0.000) 13.900 8.889 ( 0.000 8.483 0.000) 8.483 8.969 ( 0.000 4.376 0.000) 4.376 9.152 ( 0.000 7.690 0.000) 7.690 9.509 ( 0.000 8.736 0.000) 8.736 9.522 ( 0.000 3.006 0.000) 3.006 9.635 ( 0.000 6.391 0.000) 6.391 9.826 ( 0.000 -16.978 0.000) 16.978 9.959 ( 0.000 -8.707 0.000) 8.707 10.213 ( 0.000 -39.963 0.000) 39.963 10.279 ( 0.000 8.363 0.000) 8.363 10.338 ( 0.000 -14.692 0.000) 14.692 10.375 ( 0.000 -38.424 0.000) 38.424 10.379 ( 0.000 -11.913 0.000) 11.913 10.509 ( 0.000 -14.774 0.000) 14.774 11.068 ( 0.000 -5.330 0.000) 5.330 11.145 ( 0.000 -8.620 0.000) 8.620 11.169 ( 0.000 8.616 0.000) 8.616 11.585 ( 0.000 -1.202 0.000) 1.202 11.715 ( 0.000 8.162 0.000) 8.162 11.822 ( 0.000 -9.953 0.000) 9.953 12.225 ( 0.000 15.508 0.000) 15.508 12.380 ( 0.000 -3.394 0.000) 3.394 12.481 ( 0.000 3.469 0.000) 3.469 12.536 ( 0.000 2.463 0.000) 2.463 12.948 ( 0.000 20.584 0.000) 20.584 12.996 ( 0.000 14.114 0.000) 14.114 13.275 ( 0.000 7.830 0.000) 7.830 13.615 ( 0.000 -10.419 0.000) 10.419 14.182 ( 0.000 0.289 0.000) 0.289 14.205 ( 0.000 -9.563 0.000) 9.563 14.514 ( 0.000 -6.947 0.000) 6.947 15.475 ( 0.000 -13.615 0.000) 13.615 15.687 ( 0.000 4.201 0.000) 4.201 15.766 ( 0.000 -16.427 0.000) 16.427 16.112 ( 0.000 0.585 0.000) 0.585 16.377 ( 0.000 18.828 0.000) 18.828 16.759 ( 0.000 5.861 0.000) 5.861 16.962 ( 0.000 5.223 0.000) 5.223 17.029 ( 0.000 -15.106 0.000) 15.106 17.221 ( 0.000 -44.255 0.000) 44.255 17.490 ( 0.000 -13.458 0.000) 13.458 17.730 ( 0.000 -21.400 0.000) 21.400 17.805 ( 0.000 -6.189 0.000) 6.189 19.390 ( 0.000 6.134 0.000) 6.134 19.466 ( 0.000 7.063 0.000) 7.063 20.275 ( 0.000 -7.165 0.000) 7.165 20.809 ( 0.000 -12.381 0.000) 12.381 22.053 ( 0.000 2.077 0.000) 2.077 22.372 ( 0.000 4.602 0.000) 4.602 22.393 ( 0.000 -0.202 0.000) 0.202 22.731 ( 0.000 7.810 0.000) 7.810 23.185 ( 0.000 -5.254 0.000) 5.254 23.308 ( 0.000 -12.800 0.000) 12.800 23.355 ( 0.000 -1.957 0.000) 1.957 23.392 ( 0.000 2.109 0.000) 2.109 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -2.650 20.825 0.000) 20.993 2.462 ( 2.456 17.227 0.000) 17.401 2.642 ( -12.627 3.320 0.000) 13.056 2.756 ( -3.771 9.027 0.000) 9.783 2.853 ( 1.969 5.687 0.000) 6.019 2.891 ( 2.475 7.655 0.000) 8.045 3.069 ( -1.787 5.311 0.000) 5.603 3.081 ( -0.315 12.475 0.000) 12.479 3.171 ( 6.388 3.998 0.000) 7.536 3.226 ( 0.657 6.293 0.000) 6.327 3.365 ( -4.788 2.385 0.000) 5.349 3.453 ( 2.471 5.621 0.000) 6.140 3.588 ( -5.814 9.976 0.000) 11.547 3.700 ( 4.321 -3.888 0.000) 5.812 3.760 ( 6.568 4.204 0.000) 7.798 3.810 ( 7.491 19.613 0.000) 20.994 4.030 ( -0.960 11.089 0.000) 11.131 4.081 ( -0.862 10.117 0.000) 10.154 4.139 ( -0.303 5.144 0.000) 5.152 4.266 ( 1.392 13.690 0.000) 13.761 4.790 ( -0.290 5.672 0.000) 5.680 5.056 ( -4.168 10.662 0.000) 11.448 5.081 ( 2.580 2.089 0.000) 3.320 5.124 ( 0.857 7.758 0.000) 7.805 5.735 ( -0.470 -0.023 0.000) 0.471 5.738 ( 0.172 -1.990 0.000) 1.997 5.842 ( 3.634 -0.564 0.000) 3.678 6.055 ( -2.404 5.674 0.000) 6.163 6.748 ( 2.150 11.377 0.000) 11.578 6.855 ( 3.406 14.190 0.000) 14.593 6.978 ( -5.113 14.644 0.000) 15.511 7.037 ( 3.076 6.981 0.000) 7.629 7.178 ( 6.034 16.561 0.000) 17.626 7.319 ( 3.457 12.493 0.000) 12.963 7.327 ( 0.269 13.413 0.000) 13.416 7.367 ( 0.961 15.225 0.000) 15.256 7.579 ( -0.123 -5.929 0.000) 5.930 7.632 ( -5.534 9.444 0.000) 10.946 7.816 ( 2.659 11.695 0.000) 11.993 8.090 ( -1.987 10.786 0.000) 10.968 8.565 ( -8.754 17.261 0.000) 19.354 8.700 ( -10.760 10.798 0.000) 15.244 9.123 ( 7.600 4.056 0.000) 8.614 9.230 ( 5.038 3.945 0.000) 6.398 9.462 ( -2.650 4.937 0.000) 5.603 9.561 ( 3.183 1.234 0.000) 3.414 9.793 ( 13.136 7.452 0.000) 15.103 9.822 ( -0.412 -14.720 0.000) 14.726 9.905 ( -5.242 -9.561 0.000) 10.903 10.179 ( -4.377 1.110 0.000) 4.515 10.219 ( 0.731 -38.281 0.000) 38.288 10.325 ( -2.617 -26.244 0.000) 26.374 10.400 ( 2.378 -21.406 0.000) 21.538 10.478 ( 6.528 -12.858 0.000) 14.420 10.684 ( 13.611 -10.780 0.000) 17.363 11.028 ( -0.548 -2.625 0.000) 2.682 11.182 ( 2.600 -6.828 0.000) 7.306 11.201 ( 3.020 7.380 0.000) 7.974 11.512 ( -6.378 -1.891 0.000) 6.652 11.711 ( -2.756 9.132 0.000) 9.539 11.767 ( -5.494 -9.342 0.000) 10.838 12.125 ( -5.398 4.117 0.000) 6.789 12.211 ( -16.378 5.912 0.000) 17.412 12.522 ( -2.260 1.417 0.000) 2.667 12.526 ( 5.819 3.959 0.000) 7.038 12.885 ( -6.338 16.947 0.000) 18.093 13.101 ( 6.505 9.831 0.000) 11.788 13.168 ( -5.439 8.619 0.000) 10.192 13.718 ( 6.473 -8.744 0.000) 10.879 13.978 ( -9.345 -2.369 0.000) 9.640 14.390 ( 7.988 -5.002 0.000) 9.425 14.530 ( 1.217 -5.150 0.000) 5.292 15.478 ( 0.442 -12.771 0.000) 12.778 15.623 ( -3.578 -5.449 0.000) 6.519 15.899 ( 10.106 -6.149 0.000) 11.830 16.139 ( 2.353 0.437 0.000) 2.394 16.394 ( 1.746 18.462 0.000) 18.544 16.750 ( -1.388 6.800 0.000) 6.940 16.954 ( -0.776 5.070 0.000) 5.129 17.011 ( -1.921 -11.552 0.000) 11.711 17.202 ( -1.370 -41.804 0.000) 41.827 17.522 ( -15.160 -17.148 0.000) 22.889 17.542 ( 4.604 -14.753 0.000) 15.455 17.826 ( -1.214 -12.458 0.000) 12.517 19.386 ( -0.025 6.508 0.000) 6.508 19.454 ( -1.095 7.050 0.000) 7.134 20.369 ( 8.200 -8.907 0.000) 12.107 20.783 ( -2.682 -12.459 0.000) 12.745 22.069 ( 1.560 2.494 0.000) 2.942 22.313 ( -5.107 4.739 0.000) 6.967 22.408 ( 1.648 0.521 0.000) 1.729 22.680 ( -4.707 5.977 0.000) 7.608 23.201 ( 1.853 -3.791 0.000) 4.220 23.329 ( -1.537 1.044 0.000) 1.858 23.365 ( 4.367 -11.863 0.000) 12.641 23.431 ( 2.479 -3.116 0.000) 3.981 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.980 15.324 0.000) 15.355 2.403 ( -8.004 7.347 0.000) 10.865 2.553 ( 4.492 16.177 0.000) 16.789 2.659 ( -5.497 12.363 0.000) 13.530 2.909 ( 3.372 4.047 0.000) 5.267 2.952 ( 1.305 7.237 0.000) 7.354 3.028 ( -0.730 4.882 0.000) 4.936 3.062 ( -1.855 10.451 0.000) 10.614 3.243 ( 1.058 7.229 0.000) 7.306 3.264 ( 0.585 5.081 0.000) 5.114 3.317 ( 3.066 8.992 0.000) 9.500 3.445 ( -7.640 7.818 0.000) 10.931 3.527 ( 4.738 3.934 0.000) 6.158 3.633 ( -5.368 0.588 0.000) 5.400 3.947 ( 5.480 11.985 0.000) 13.178 4.002 ( 7.169 7.810 0.000) 10.602 4.052 ( 1.170 7.062 0.000) 7.159 4.057 ( 2.916 13.423 0.000) 13.736 4.128 ( -0.443 5.880 0.000) 5.896 4.231 ( -5.506 8.938 0.000) 10.498 4.819 ( 3.954 6.307 0.000) 7.444 4.938 ( -6.920 10.401 0.000) 12.492 5.129 ( 1.771 5.106 0.000) 5.405 5.142 ( 0.470 7.286 0.000) 7.302 5.728 ( -0.118 -2.128 0.000) 2.131 5.732 ( -0.480 -3.457 0.000) 3.490 5.931 ( 4.358 1.581 0.000) 4.636 6.002 ( -2.880 2.997 0.000) 4.156 6.790 ( 2.768 12.419 0.000) 12.724 6.871 ( -5.084 13.454 0.000) 14.382 6.984 ( 8.063 15.864 0.000) 17.795 7.087 ( -0.295 14.358 0.000) 14.361 7.278 ( 3.371 19.995 0.000) 20.277 7.325 ( -1.151 15.721 0.000) 15.763 7.366 ( 0.661 8.691 0.000) 8.716 7.371 ( -0.297 13.254 0.000) 13.257 7.546 ( -1.308 0.166 0.000) 1.319 7.564 ( -1.460 -5.211 0.000) 5.412 7.893 ( 5.271 11.949 0.000) 13.060 8.011 ( -5.686 10.937 0.000) 12.327 8.456 ( -1.123 18.396 0.000) 18.430 8.517 ( -6.736 15.229 0.000) 16.652 9.241 ( 4.300 3.999 0.000) 5.872 9.292 ( -0.043 3.612 0.000) 3.612 9.464 ( 4.280 -0.344 0.000) 4.294 9.578 ( -3.735 -1.578 0.000) 4.055 9.807 ( -2.146 -12.777 0.000) 12.956 9.807 ( -0.803 -15.206 0.000) 15.227 10.069 ( 11.926 7.430 0.000) 14.051 10.165 ( 1.936 4.429 0.000) 4.834 10.233 ( 0.088 -30.587 0.000) 30.588 10.260 ( -4.028 -24.522 0.000) 24.851 10.428 ( 0.948 -22.759 0.000) 22.779 10.489 ( -4.625 -17.148 0.000) 17.760 10.984 ( 14.868 -7.828 0.000) 16.803 11.140 ( 6.010 -1.130 0.000) 6.116 11.249 ( 3.916 -1.580 0.000) 4.223 11.270 ( 2.724 4.572 0.000) 5.322 11.390 ( -1.163 -2.535 0.000) 2.789 11.560 ( -10.162 4.180 0.000) 10.988 11.639 ( -4.648 -4.920 0.000) 6.768 11.782 ( -19.254 1.783 0.000) 19.337 12.213 ( 8.677 3.382 0.000) 9.313 12.409 ( -9.033 1.512 0.000) 9.158 12.634 ( 4.900 5.964 0.000) 7.718 12.740 ( -6.428 10.039 0.000) 11.921 13.140 ( 1.589 9.227 0.000) 9.363 13.170 ( 0.089 7.061 0.000) 7.061 13.808 ( 2.456 -6.239 0.000) 6.705 13.851 ( -3.284 -2.285 0.000) 4.001 14.506 ( 3.625 -3.286 0.000) 4.893 14.543 ( -0.296 -2.782 0.000) 2.798 15.502 ( 2.084 -11.013 0.000) 11.209 15.556 ( -3.121 -8.850 0.000) 9.384 16.108 ( 8.479 -2.756 0.000) 8.915 16.178 ( 0.564 -0.240 0.000) 0.613 16.468 ( 6.827 17.621 0.000) 18.897 16.659 ( -8.907 11.865 0.000) 14.836 16.939 ( -0.370 4.422 0.000) 4.438 16.957 ( -2.516 -0.010 0.000) 2.516 17.190 ( 0.672 -37.892 0.000) 37.898 17.264 ( -8.104 -29.184 0.000) 30.288 17.651 ( 5.874 -15.026 0.000) 16.133 17.761 ( -4.747 -14.066 0.000) 14.845 19.397 ( 1.121 6.860 0.000) 6.951 19.426 ( -1.597 6.997 0.000) 7.177 20.549 ( 8.738 -11.232 0.000) 14.231 20.697 ( -5.882 -12.313 0.000) 13.646 22.117 ( 3.278 3.587 0.000) 4.859 22.203 ( -5.259 4.571 0.000) 6.968 22.465 ( 4.092 1.978 0.000) 4.545 22.568 ( -5.839 3.601 0.000) 6.861 23.250 ( 2.636 -1.062 0.000) 2.841 23.296 ( -1.903 0.873 0.000) 2.093 23.442 ( 2.774 -10.371 0.000) 10.735 23.465 ( 0.507 -7.644 0.000) 7.661 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.000 -0.208 0.000) 0.208 2.743 ( 0.000 13.747 0.000) 13.747 2.849 ( 0.000 6.140 0.000) 6.140 2.926 ( 0.000 -4.621 0.000) 4.621 2.949 ( 0.000 4.558 0.000) 4.558 2.980 ( 0.000 10.911 0.000) 10.911 3.057 ( 0.000 4.845 0.000) 4.845 3.233 ( 0.000 3.905 0.000) 3.905 3.247 ( 0.000 7.041 0.000) 7.041 3.386 ( 0.000 9.315 0.000) 9.315 3.426 ( 0.000 2.365 0.000) 2.365 3.524 ( 0.000 2.382 0.000) 2.382 3.592 ( 0.000 1.762 0.000) 1.762 3.734 ( 0.000 -3.394 0.000) 3.394 3.781 ( 0.000 6.377 0.000) 6.377 4.105 ( 0.000 6.437 0.000) 6.437 4.247 ( 0.000 6.927 0.000) 6.927 4.269 ( 0.000 16.941 0.000) 16.941 4.319 ( 0.000 10.372 0.000) 10.372 4.498 ( 0.000 11.991 0.000) 11.991 4.947 ( 0.000 6.709 0.000) 6.709 5.073 ( 0.000 2.029 0.000) 2.029 5.237 ( 0.000 5.162 0.000) 5.162 5.256 ( 0.000 4.891 0.000) 4.891 5.737 ( 0.000 -2.246 0.000) 2.246 5.771 ( 0.000 2.760 0.000) 2.760 5.829 ( 0.000 7.969 0.000) 7.969 6.196 ( 0.000 3.910 0.000) 3.910 6.869 ( 0.000 6.050 0.000) 6.050 7.001 ( 0.000 4.706 0.000) 4.706 7.071 ( 0.000 4.894 0.000) 4.894 7.259 ( 0.000 -8.566 0.000) 8.566 7.321 ( 0.000 12.453 0.000) 12.453 7.366 ( 0.000 12.186 0.000) 12.186 7.504 ( 0.000 7.792 0.000) 7.792 7.699 ( 0.000 13.375 0.000) 13.375 7.742 ( 0.000 15.159 0.000) 15.159 7.916 ( 0.000 8.851 0.000) 8.851 8.026 ( 0.000 10.838 0.000) 10.838 8.322 ( 0.000 10.245 0.000) 10.245 9.016 ( 0.000 16.318 0.000) 16.318 9.079 ( 0.000 9.245 0.000) 9.245 9.086 ( 0.000 1.643 0.000) 1.643 9.273 ( 0.000 -3.075 0.000) 3.075 9.315 ( 0.000 -38.303 0.000) 38.303 9.445 ( 0.000 -9.366 0.000) 9.366 9.513 ( 0.000 1.509 0.000) 1.509 9.577 ( 0.000 -25.425 0.000) 25.425 9.808 ( 0.000 8.419 0.000) 8.419 9.870 ( 0.000 8.132 0.000) 8.132 9.890 ( 0.000 -6.125 0.000) 6.125 10.118 ( 0.000 -6.862 0.000) 6.862 10.213 ( 0.000 -1.665 0.000) 1.665 10.344 ( 0.000 -1.560 0.000) 1.560 10.510 ( 0.000 11.854 0.000) 11.854 10.957 ( 0.000 -7.548 0.000) 7.548 11.049 ( 0.000 -1.759 0.000) 1.759 11.348 ( 0.000 6.686 0.000) 6.686 11.570 ( 0.000 0.288 0.000) 0.288 11.648 ( 0.000 -7.003 0.000) 7.003 11.731 ( 0.000 -6.428 0.000) 6.428 12.360 ( 0.000 3.092 0.000) 3.092 12.449 ( 0.000 -12.413 0.000) 12.413 12.505 ( 0.000 11.960 0.000) 11.960 12.581 ( 0.000 6.201 0.000) 6.201 13.242 ( 0.000 10.668 0.000) 10.668 13.299 ( 0.000 14.468 0.000) 14.468 13.458 ( 0.000 10.617 0.000) 10.617 13.494 ( 0.000 -0.327 0.000) 0.327 13.994 ( 0.000 -10.897 0.000) 10.897 14.215 ( 0.000 3.137 0.000) 3.137 14.354 ( 0.000 -8.877 0.000) 8.877 15.174 ( 0.000 -15.962 0.000) 15.962 15.365 ( 0.000 -23.096 0.000) 23.096 15.681 ( 0.000 -11.369 0.000) 11.369 15.796 ( 0.000 -30.634 0.000) 30.634 16.449 ( 0.000 -16.818 0.000) 16.818 16.799 ( 0.000 13.882 0.000) 13.882 16.836 ( 0.000 2.462 0.000) 2.462 16.850 ( 0.000 -0.479 0.000) 0.479 16.933 ( 0.000 -6.092 0.000) 6.092 17.391 ( 0.000 0.466 0.000) 0.466 17.528 ( 0.000 -2.044 0.000) 2.044 17.743 ( 0.000 -1.160 0.000) 1.160 19.519 ( 0.000 6.680 0.000) 6.680 19.622 ( 0.000 8.600 0.000) 8.600 20.121 ( 0.000 -8.137 0.000) 8.137 20.550 ( 0.000 -13.365 0.000) 13.365 22.082 ( 0.000 1.111 0.000) 1.111 22.336 ( 0.000 -4.603 0.000) 4.603 22.397 ( 0.000 -0.975 0.000) 0.975 22.730 ( 0.000 -7.174 0.000) 7.174 23.125 ( 0.000 -1.053 0.000) 1.053 23.166 ( 0.000 -1.565 0.000) 1.565 23.341 ( 0.000 0.222 0.000) 0.222 23.414 ( 0.000 0.140 0.000) 0.140 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -5.200 -0.634 0.000) 5.238 2.696 ( -4.369 14.357 0.000) 15.007 2.811 ( -0.082 12.404 0.000) 12.405 2.933 ( -1.914 7.641 0.000) 7.877 2.967 ( -0.297 6.737 0.000) 6.743 3.019 ( 2.994 -3.192 0.000) 4.376 3.084 ( 2.247 3.631 0.000) 4.271 3.253 ( 1.489 4.755 0.000) 4.982 3.256 ( 2.724 4.949 0.000) 5.649 3.361 ( -2.255 7.271 0.000) 7.613 3.447 ( 0.826 5.411 0.000) 5.474 3.520 ( -0.552 1.256 0.000) 1.372 3.633 ( 2.289 -2.766 0.000) 3.591 3.749 ( -2.896 7.983 0.000) 8.493 3.783 ( 6.816 -1.619 0.000) 7.006 4.094 ( -0.464 5.774 0.000) 5.792 4.228 ( -1.614 7.643 0.000) 7.812 4.282 ( 1.006 14.036 0.000) 14.072 4.324 ( 0.286 9.849 0.000) 9.853 4.511 ( -1.675 9.985 0.000) 10.124 4.889 ( -1.070 6.251 0.000) 6.342 5.153 ( 5.378 4.645 0.000) 7.106 5.213 ( -2.354 5.545 0.000) 6.024 5.267 ( 0.804 5.794 0.000) 5.850 5.719 ( -0.747 0.275 0.000) 0.796 5.808 ( -2.111 7.119 0.000) 7.426 5.841 ( 5.331 0.495 0.000) 5.354 6.147 ( -4.352 3.432 0.000) 5.542 6.898 ( 2.385 5.775 0.000) 6.248 7.014 ( 3.029 4.583 0.000) 5.493 7.102 ( 1.533 3.932 0.000) 4.221 7.253 ( -3.805 11.161 0.000) 11.792 7.333 ( 5.840 -6.996 0.000) 9.113 7.417 ( 4.465 10.919 0.000) 11.797 7.554 ( 2.703 6.933 0.000) 7.441 7.699 ( 0.003 13.485 0.000) 13.485 7.722 ( -2.017 15.321 0.000) 15.453 7.851 ( -5.765 11.650 0.000) 12.999 8.056 ( 2.950 11.110 0.000) 11.495 8.306 ( -1.746 10.661 0.000) 10.803 8.947 ( -5.148 19.322 0.000) 19.996 8.969 ( -5.217 12.976 0.000) 13.986 9.200 ( 5.420 -0.443 0.000) 5.438 9.248 ( -1.026 -17.717 0.000) 17.746 9.331 ( 0.942 -21.602 0.000) 21.622 9.414 ( -2.380 -17.863 0.000) 18.021 9.552 ( 2.292 0.459 0.000) 2.338 9.589 ( 0.047 -18.194 0.000) 18.194 9.697 ( -4.563 -1.173 0.000) 4.711 9.822 ( -5.290 -6.402 0.000) 8.304 10.056 ( 12.028 13.183 0.000) 17.846 10.122 ( 1.097 -3.268 0.000) 3.447 10.302 ( 5.481 -4.076 0.000) 6.830 10.366 ( 1.651 2.161 0.000) 2.720 10.624 ( 10.413 4.685 0.000) 11.418 10.970 ( 3.743 -4.713 0.000) 6.019 11.122 ( 6.162 -0.647 0.000) 6.196 11.341 ( -0.379 4.280 0.000) 4.296 11.487 ( -7.241 -0.512 0.000) 7.259 11.597 ( -4.494 -6.251 0.000) 7.699 11.756 ( 0.457 -5.506 0.000) 5.525 12.207 ( -13.682 6.837 0.000) 15.295 12.330 ( -12.629 6.629 0.000) 14.263 12.429 ( -2.413 -11.923 0.000) 12.165 12.646 ( 4.551 6.568 0.000) 7.991 13.163 ( -11.268 11.509 0.000) 16.106 13.284 ( 2.714 8.342 0.000) 8.772 13.364 ( -3.239 10.258 0.000) 10.757 13.634 ( 6.848 1.398 0.000) 6.990 13.902 ( -5.534 -4.764 0.000) 7.302 14.333 ( 7.813 -0.231 0.000) 7.816 14.408 ( 4.350 -6.782 0.000) 8.057 15.178 ( 0.527 -16.586 0.000) 16.594 15.326 ( -3.108 -21.401 0.000) 21.625 15.766 ( 6.807 -16.313 0.000) 17.676 15.824 ( 2.523 -30.433 0.000) 30.537 16.472 ( 2.894 -13.428 0.000) 13.736 16.815 ( 1.462 13.009 0.000) 13.091 16.820 ( -1.527 -0.383 0.000) 1.574 16.857 ( 0.369 1.580 0.000) 1.622 16.936 ( 0.343 -4.465 0.000) 4.478 17.395 ( -12.091 1.335 0.000) 12.165 17.427 ( 3.492 -0.206 0.000) 3.498 17.715 ( -2.908 -1.718 0.000) 3.377 19.522 ( 0.487 7.052 0.000) 7.069 19.609 ( -1.210 8.494 0.000) 8.579 20.186 ( 5.794 -9.430 0.000) 11.068 20.524 ( -2.629 -13.300 0.000) 13.558 22.100 ( 1.798 1.049 0.000) 2.081 22.346 ( -4.528 -0.403 0.000) 4.546 22.359 ( 2.320 -4.534 0.000) 5.093 22.664 ( -5.624 -6.353 0.000) 8.485 23.167 ( 3.561 -0.431 0.000) 3.587 23.218 ( 4.385 -2.863 0.000) 5.237 23.334 ( -0.801 0.065 0.000) 0.804 23.405 ( -0.899 -0.534 0.000) 1.046 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -0.049 6.715 0.000) 6.715 2.595 ( -4.743 12.771 0.000) 13.624 2.834 ( 2.002 12.133 0.000) 12.297 2.883 ( -2.715 10.213 0.000) 10.568 2.980 ( 1.413 2.870 0.000) 3.199 3.016 ( -1.881 -0.412 0.000) 1.925 3.151 ( 4.474 6.463 0.000) 7.860 3.242 ( -3.650 7.338 0.000) 8.196 3.336 ( 2.969 2.193 0.000) 3.691 3.340 ( 0.999 2.643 0.000) 2.826 3.452 ( 0.555 3.533 0.000) 3.576 3.492 ( -2.356 -0.038 0.000) 2.356 3.656 ( 0.904 2.519 0.000) 2.676 3.689 ( -2.503 8.881 0.000) 9.227 3.999 ( 11.854 -5.361 0.000) 13.010 4.098 ( 0.306 2.299 0.000) 2.319 4.201 ( 0.086 9.797 0.000) 9.798 4.291 ( -1.620 8.231 0.000) 8.389 4.325 ( -0.149 9.711 0.000) 9.713 4.369 ( -9.132 7.397 0.000) 11.752 4.976 ( 7.840 10.038 0.000) 12.737 5.128 ( -6.300 8.540 0.000) 10.612 5.249 ( 3.587 6.076 0.000) 7.056 5.282 ( 0.115 6.035 0.000) 6.036 5.715 ( 0.621 1.573 0.000) 1.691 5.753 ( -2.911 4.512 0.000) 5.369 5.951 ( 5.214 0.421 0.000) 5.231 6.050 ( -4.891 1.785 0.000) 5.206 6.957 ( 3.878 6.502 0.000) 7.571 7.053 ( -5.138 6.499 0.000) 8.285 7.140 ( 8.028 4.040 0.000) 8.987 7.238 ( -0.421 4.890 0.000) 4.908 7.436 ( 3.746 -4.888 0.000) 6.158 7.489 ( -0.206 3.000 0.000) 3.007 7.580 ( 2.272 8.370 0.000) 8.673 7.660 ( -3.995 14.588 0.000) 15.125 7.703 ( 0.631 15.692 0.000) 15.704 7.741 ( -3.715 17.747 0.000) 18.132 8.142 ( 5.279 11.863 0.000) 12.984 8.245 ( -4.430 11.565 0.000) 12.384 8.870 ( -1.737 21.060 0.000) 21.131 8.884 ( -2.856 18.754 0.000) 18.970 9.266 ( 2.785 -21.384 0.000) 21.564 9.287 ( 2.695 -5.691 0.000) 6.297 9.339 ( -0.173 -13.703 0.000) 13.704 9.360 ( -3.016 -24.629 0.000) 24.813 9.556 ( -1.324 -2.303 0.000) 2.657 9.558 ( -1.977 -8.215 0.000) 8.449 9.677 ( 2.061 -6.680 0.000) 6.991 9.734 ( -3.351 -7.140 0.000) 7.887 10.189 ( 5.641 -2.557 0.000) 6.193 10.273 ( 6.681 8.225 0.000) 10.597 10.318 ( -2.584 -2.494 0.000) 3.591 10.378 ( -1.363 6.546 0.000) 6.686 10.880 ( 13.890 -2.397 0.000) 14.095 11.085 ( -0.785 -4.580 0.000) 4.647 11.272 ( 8.304 0.981 0.000) 8.362 11.340 ( 0.030 -0.041 0.000) 0.051 11.387 ( 3.536 1.119 0.000) 3.709 11.546 ( 3.270 -1.403 0.000) 3.558 11.628 ( -13.459 0.748 0.000) 13.480 11.829 ( -20.912 4.902 0.000) 21.479 12.233 ( 3.133 -0.716 0.000) 3.214 12.344 ( -5.841 -8.674 0.000) 10.458 12.755 ( 6.791 6.335 0.000) 9.287 12.931 ( -10.764 9.508 0.000) 14.362 13.317 ( 0.584 6.588 0.000) 6.614 13.325 ( -0.809 8.277 0.000) 8.317 13.744 ( 4.239 0.960 0.000) 4.347 13.816 ( -3.395 -0.095 0.000) 3.396 14.456 ( 3.914 -1.358 0.000) 4.143 14.478 ( 1.681 -3.369 0.000) 3.765 15.203 ( 2.092 -18.217 0.000) 18.337 15.259 ( -3.307 -19.825 0.000) 20.099 15.876 ( 2.861 -25.300 0.000) 25.462 15.877 ( 2.093 -29.508 0.000) 29.583 16.592 ( 8.962 -7.131 0.000) 11.453 16.757 ( -5.570 -4.396 0.000) 7.095 16.848 ( 1.369 8.787 0.000) 8.893 16.861 ( -0.054 3.437 0.000) 3.438 16.963 ( 3.318 2.107 0.000) 3.930 17.121 ( -12.725 6.841 0.000) 14.447 17.520 ( 5.482 -1.367 0.000) 5.650 17.631 ( -5.209 -1.942 0.000) 5.559 19.542 ( 1.493 7.674 0.000) 7.818 19.577 ( -1.831 8.178 0.000) 8.380 20.320 ( 6.955 -11.557 0.000) 13.488 20.445 ( -5.223 -12.857 0.000) 13.877 22.154 ( 3.639 0.889 0.000) 3.746 22.244 ( -5.145 0.457 0.000) 5.166 22.429 ( 4.631 -4.627 0.000) 6.546 22.540 ( -6.232 -5.253 0.000) 8.150 23.244 ( 3.664 -0.177 0.000) 3.669 23.304 ( -2.259 -0.103 0.000) 2.261 23.309 ( 4.155 -3.244 0.000) 5.271 23.374 ( -2.331 -2.098 0.000) 3.136 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 -3.173 0.000) 3.173 2.742 ( 0.000 -9.757 0.000) 9.757 2.928 ( 0.000 5.838 0.000) 5.838 3.008 ( 0.000 1.338 0.000) 1.338 3.037 ( 0.000 8.805 0.000) 8.805 3.162 ( 0.000 3.081 0.000) 3.081 3.198 ( 0.000 9.368 0.000) 9.368 3.290 ( 0.000 2.096 0.000) 2.096 3.373 ( 0.000 5.910 0.000) 5.910 3.502 ( 0.000 4.171 0.000) 4.171 3.528 ( 0.000 4.316 0.000) 4.316 3.540 ( 0.000 0.249 0.000) 0.249 3.605 ( 0.000 -0.439 0.000) 0.439 3.631 ( 0.000 -6.404 0.000) 6.404 3.912 ( 0.000 6.155 0.000) 6.155 4.107 ( 0.000 -3.324 0.000) 3.324 4.400 ( 0.000 7.530 0.000) 7.530 4.477 ( 0.000 5.021 0.000) 5.021 4.575 ( 0.000 11.579 0.000) 11.579 4.684 ( 0.000 5.937 0.000) 5.937 5.067 ( 0.000 5.185 0.000) 5.185 5.120 ( 0.000 2.164 0.000) 2.164 5.316 ( 0.000 2.641 0.000) 2.641 5.317 ( 0.000 1.938 0.000) 1.938 5.736 ( 0.000 2.019 0.000) 2.019 5.815 ( 0.000 0.889 0.000) 0.889 6.012 ( 0.000 9.156 0.000) 9.156 6.230 ( 0.000 -0.764 0.000) 0.764 7.016 ( 0.000 8.944 0.000) 8.944 7.057 ( 0.000 1.372 0.000) 1.372 7.146 ( 0.000 -0.595 0.000) 0.595 7.225 ( 0.000 10.784 0.000) 10.784 7.540 ( 0.000 9.431 0.000) 9.431 7.541 ( 0.000 1.538 0.000) 1.538 7.638 ( 0.000 9.180 0.000) 9.180 7.782 ( 0.000 -7.870 0.000) 7.870 8.023 ( 0.000 1.187 0.000) 1.187 8.036 ( 0.000 13.171 0.000) 13.171 8.114 ( 0.000 -5.407 0.000) 5.407 8.455 ( 0.000 -5.820 0.000) 5.820 8.679 ( 0.000 -8.731 0.000) 8.731 8.860 ( 0.000 -9.921 0.000) 9.921 9.062 ( 0.000 -12.562 0.000) 12.562 9.109 ( 0.000 -9.444 0.000) 9.444 9.356 ( 0.000 5.186 0.000) 5.186 9.373 ( 0.000 15.610 0.000) 15.610 9.465 ( 0.000 3.917 0.000) 3.917 9.714 ( 0.000 9.798 0.000) 9.798 9.837 ( 0.000 -0.861 0.000) 0.861 9.843 ( 0.000 0.529 0.000) 0.529 10.004 ( 0.000 -5.498 0.000) 5.498 10.027 ( 0.000 5.200 0.000) 5.200 10.363 ( 0.000 11.966 0.000) 11.966 10.453 ( 0.000 11.372 0.000) 11.372 10.715 ( 0.000 7.205 0.000) 7.205 10.757 ( 0.000 -11.489 0.000) 11.489 11.080 ( 0.000 5.994 0.000) 5.994 11.387 ( 0.000 -2.070 0.000) 2.070 11.512 ( 0.000 -13.192 0.000) 13.192 11.529 ( 0.000 -6.527 0.000) 6.527 11.614 ( 0.000 4.295 0.000) 4.295 12.085 ( 0.000 -21.171 0.000) 21.171 12.511 ( 0.000 9.973 0.000) 9.973 12.661 ( 0.000 3.413 0.000) 3.413 12.740 ( 0.000 10.989 0.000) 10.989 13.341 ( 0.000 -5.819 0.000) 5.819 13.530 ( 0.000 9.057 0.000) 9.057 13.574 ( 0.000 6.167 0.000) 6.167 13.696 ( 0.000 12.896 0.000) 12.896 13.891 ( 0.000 6.030 0.000) 6.030 14.167 ( 0.000 -9.901 0.000) 9.901 14.298 ( 0.000 3.804 0.000) 3.804 14.878 ( 0.000 -12.351 0.000) 12.351 14.903 ( 0.000 -20.613 0.000) 20.613 15.150 ( 0.000 -29.141 0.000) 29.141 15.208 ( 0.000 -27.576 0.000) 27.576 16.426 ( 0.000 8.449 0.000) 8.449 16.792 ( 0.000 -7.776 0.000) 7.776 16.875 ( 0.000 1.676 0.000) 1.676 16.886 ( 0.000 1.849 0.000) 1.849 17.090 ( 0.000 13.099 0.000) 13.099 17.391 ( 0.000 -1.777 0.000) 1.777 17.563 ( 0.000 4.281 0.000) 4.281 17.720 ( 0.000 -1.881 0.000) 1.881 19.654 ( 0.000 6.969 0.000) 6.969 19.810 ( 0.000 10.308 0.000) 10.308 19.957 ( 0.000 -8.214 0.000) 8.214 20.284 ( 0.000 -13.180 0.000) 13.180 22.108 ( 0.000 1.746 0.000) 1.746 22.238 ( 0.000 -4.746 0.000) 4.746 22.378 ( 0.000 -0.074 0.000) 0.074 22.552 ( 0.000 -8.749 0.000) 8.749 23.128 ( 0.000 0.962 0.000) 0.962 23.164 ( 0.000 -0.030 0.000) 0.030 23.354 ( 0.000 0.968 0.000) 0.968 23.403 ( 0.000 -1.082 0.000) 1.082 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 1.594 1.162 0.000) 1.972 2.834 ( 6.912 -9.668 0.000) 11.885 2.902 ( -2.683 6.853 0.000) 7.359 3.006 ( -0.283 1.157 0.000) 1.191 3.038 ( 0.152 8.709 0.000) 8.710 3.157 ( -3.500 9.689 0.000) 10.302 3.178 ( 1.652 2.498 0.000) 2.996 3.312 ( 1.774 1.499 0.000) 2.323 3.351 ( -0.622 4.648 0.000) 4.689 3.467 ( -4.996 2.918 0.000) 5.786 3.523 ( -3.063 -0.478 0.000) 3.100 3.528 ( -1.868 -0.012 0.000) 1.868 3.599 ( 5.781 1.193 0.000) 5.902 3.728 ( 6.659 -3.248 0.000) 7.409 3.895 ( -1.824 6.295 0.000) 6.554 4.097 ( -1.248 -3.725 0.000) 3.929 4.392 ( -0.673 7.791 0.000) 7.820 4.475 ( -0.222 4.753 0.000) 4.759 4.518 ( -3.847 9.171 0.000) 9.945 4.639 ( -6.117 3.098 0.000) 6.857 5.066 ( 4.170 9.998 0.000) 10.833 5.232 ( 6.649 2.447 0.000) 7.085 5.299 ( -0.490 3.501 0.000) 3.535 5.347 ( 1.388 2.143 0.000) 2.553 5.748 ( 0.846 2.514 0.000) 2.653 5.846 ( 3.318 -0.607 0.000) 3.373 5.976 ( -3.543 8.607 0.000) 9.307 6.180 ( -4.689 -0.501 0.000) 4.716 7.042 ( 2.433 8.755 0.000) 9.087 7.089 ( 3.993 4.199 0.000) 5.795 7.224 ( -0.474 8.786 0.000) 8.799 7.224 ( 6.363 -2.699 0.000) 6.912 7.421 ( -6.077 4.956 0.000) 7.842 7.594 ( -0.576 4.037 0.000) 4.078 7.685 ( 4.384 9.953 0.000) 10.876 7.791 ( 1.082 -7.310 0.000) 7.390 8.008 ( -1.692 1.949 0.000) 2.581 8.019 ( -1.746 13.551 0.000) 13.663 8.156 ( 4.226 -4.323 0.000) 6.045 8.435 ( -2.022 -5.442 0.000) 5.805 8.706 ( 2.531 -8.566 0.000) 8.932 8.855 ( -0.598 -10.249 0.000) 10.266 9.063 ( 0.164 -11.887 0.000) 11.888 9.111 ( 0.032 -11.093 0.000) 11.093 9.300 ( -3.924 9.213 0.000) 10.014 9.328 ( -3.623 15.161 0.000) 15.588 9.492 ( 1.415 0.975 0.000) 1.719 9.676 ( -4.970 0.831 0.000) 5.039 9.770 ( -1.227 11.018 0.000) 11.086 9.813 ( -1.914 3.422 0.000) 3.921 10.045 ( 3.331 -5.313 0.000) 6.270 10.153 ( 6.809 -2.320 0.000) 7.193 10.432 ( 5.671 13.414 0.000) 14.564 10.484 ( 2.959 10.724 0.000) 11.124 10.764 ( 4.636 6.053 0.000) 7.624 10.825 ( 7.335 -9.025 0.000) 11.629 11.138 ( 5.024 3.262 0.000) 5.990 11.337 ( -3.872 -3.496 0.000) 5.217 11.450 ( -6.464 -4.338 0.000) 7.785 11.541 ( 1.417 -13.587 0.000) 13.661 11.584 ( -1.950 4.726 0.000) 5.113 12.083 ( -0.129 -20.283 0.000) 20.283 12.406 ( -13.711 10.611 0.000) 17.337 12.457 ( -13.957 5.366 0.000) 14.953 12.780 ( 3.593 8.423 0.000) 9.158 13.330 ( -0.470 -7.459 0.000) 7.473 13.377 ( -11.192 10.137 0.000) 15.101 13.529 ( -5.275 5.151 0.000) 7.373 13.763 ( 5.286 10.564 0.000) 11.813 13.908 ( 1.292 9.212 0.000) 9.302 14.260 ( 7.410 -8.740 0.000) 11.458 14.370 ( 5.435 2.112 0.000) 5.831 14.865 ( -0.993 -12.573 0.000) 12.612 14.882 ( -1.743 -19.700 0.000) 19.777 15.192 ( 3.562 -28.139 0.000) 28.364 15.246 ( 2.935 -27.973 0.000) 28.127 16.476 ( 4.952 7.893 0.000) 9.318 16.803 ( 1.042 -6.801 0.000) 6.880 16.849 ( -2.514 2.101 0.000) 3.277 16.883 ( -0.607 0.547 0.000) 0.817 17.114 ( 2.380 13.050 0.000) 13.265 17.419 ( 2.715 -2.024 0.000) 3.386 17.488 ( -6.960 6.523 0.000) 9.539 17.686 ( -3.278 -2.171 0.000) 3.932 19.667 ( 1.258 7.510 0.000) 7.615 19.794 ( -1.515 10.115 0.000) 10.228 19.999 ( 3.886 -9.189 0.000) 9.977 20.260 ( -2.355 -13.013 0.000) 13.224 22.125 ( 1.643 1.698 0.000) 2.363 22.259 ( 2.066 -4.958 0.000) 5.371 22.338 ( -3.630 0.340 0.000) 3.645 22.506 ( -4.084 -7.956 0.000) 8.943 23.166 ( 3.383 0.554 0.000) 3.428 23.200 ( 3.281 -0.377 0.000) 3.303 23.342 ( -1.173 0.795 0.000) 1.417 23.389 ( -1.377 -1.130 0.000) 1.781 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 6.197 7.065 0.000) 9.398 2.812 ( -6.261 8.889 0.000) 10.873 2.952 ( 3.995 -4.840 0.000) 6.276 2.995 ( -0.928 -0.228 0.000) 0.956 3.048 ( 1.046 8.545 0.000) 8.609 3.087 ( -2.894 9.007 0.000) 9.461 3.237 ( 4.462 1.213 0.000) 4.624 3.345 ( -3.487 -1.594 0.000) 3.834 3.357 ( -0.686 3.865 0.000) 3.925 3.364 ( 1.280 1.508 0.000) 1.978 3.461 ( -2.087 -1.722 0.000) 2.706 3.476 ( -2.818 -1.633 0.000) 3.257 3.729 ( 6.254 4.008 0.000) 7.428 3.835 ( -4.193 5.793 0.000) 7.151 3.889 ( 8.888 -5.028 0.000) 10.212 4.039 ( -5.146 -5.678 0.000) 7.663 4.388 ( 0.844 8.185 0.000) 8.229 4.443 ( -4.047 7.055 0.000) 8.133 4.472 ( 0.222 4.626 0.000) 4.631 4.506 ( -4.342 4.735 0.000) 6.424 5.187 ( 6.121 9.932 0.000) 11.666 5.276 ( -2.521 6.255 0.000) 6.744 5.342 ( 3.588 2.613 0.000) 4.439 5.367 ( 0.462 2.342 0.000) 2.387 5.781 ( 3.124 4.577 0.000) 5.541 5.878 ( -5.749 7.104 0.000) 9.138 5.940 ( 5.677 -1.772 0.000) 5.947 6.063 ( -6.358 -0.879 0.000) 6.418 7.105 ( 3.812 8.711 0.000) 9.508 7.185 ( -3.560 7.562 0.000) 8.358 7.213 ( 7.047 3.805 0.000) 8.008 7.321 ( -4.100 3.194 0.000) 5.197 7.359 ( 6.903 -1.673 0.000) 7.103 7.507 ( -7.133 1.573 0.000) 7.304 7.795 ( 5.366 8.218 0.000) 9.815 7.827 ( 1.960 -4.553 0.000) 4.957 7.959 ( -2.566 4.033 0.000) 4.780 7.965 ( -3.132 13.674 0.000) 14.028 8.266 ( 5.977 -3.083 0.000) 6.725 8.372 ( -4.305 -4.022 0.000) 5.892 8.770 ( 3.542 -9.408 0.000) 10.053 8.830 ( -2.101 -10.534 0.000) 10.741 9.073 ( 1.012 -11.030 0.000) 11.076 9.100 ( -1.255 -12.423 0.000) 12.486 9.244 ( -1.063 13.139 0.000) 13.182 9.261 ( -2.509 13.802 0.000) 14.028 9.515 ( 1.468 -0.811 0.000) 1.677 9.572 ( -4.319 -0.918 0.000) 4.416 9.777 ( 0.845 11.520 0.000) 11.551 9.790 ( -0.543 8.141 0.000) 8.159 10.122 ( 4.258 -5.047 0.000) 6.603 10.197 ( -2.133 -6.250 0.000) 6.604 10.542 ( 3.869 14.015 0.000) 14.539 10.550 ( 2.621 11.066 0.000) 11.372 10.887 ( 7.128 1.672 0.000) 7.322 10.976 ( 2.293 -6.331 0.000) 6.733 11.215 ( 2.029 -3.614 0.000) 4.145 11.262 ( -3.118 -5.513 0.000) 6.334 11.378 ( 2.781 -3.149 0.000) 4.201 11.511 ( -5.525 -11.234 0.000) 12.519 11.650 ( 11.411 9.207 0.000) 14.662 12.005 ( -21.493 10.151 0.000) 23.770 12.093 ( 1.986 -14.445 0.000) 14.581 12.210 ( -10.355 -1.402 0.000) 10.450 12.910 ( 9.229 9.895 0.000) 13.531 13.132 ( -12.402 10.718 0.000) 16.392 13.347 ( 2.402 -5.093 0.000) 5.631 13.422 ( -4.829 0.445 0.000) 4.850 13.861 ( 4.097 10.473 0.000) 11.246 13.915 ( -1.087 10.959 0.000) 11.012 14.398 ( 5.374 -6.774 0.000) 8.646 14.446 ( 1.035 -2.039 0.000) 2.286 14.848 ( -0.558 -13.184 0.000) 13.196 14.850 ( -0.979 -16.556 0.000) 16.585 15.263 ( 2.887 -27.492 0.000) 27.643 15.288 ( 0.614 -27.919 0.000) 27.926 16.614 ( 8.166 5.430 0.000) 9.807 16.765 ( -6.119 2.701 0.000) 6.689 16.830 ( 1.580 -4.349 0.000) 4.627 16.862 ( -1.414 -1.612 0.000) 2.144 17.188 ( 5.150 12.823 0.000) 13.819 17.324 ( -8.233 10.819 0.000) 13.596 17.495 ( 4.770 -2.489 0.000) 5.380 17.598 ( -5.124 -2.574 0.000) 5.734 19.703 ( 2.320 8.582 0.000) 8.890 19.753 ( -2.432 9.528 0.000) 9.834 20.094 ( 5.193 -11.009 0.000) 12.172 20.192 ( -4.326 -12.366 0.000) 13.101 22.174 ( 3.278 1.509 0.000) 3.608 22.253 ( -4.395 1.050 0.000) 4.519 22.320 ( 3.913 -5.603 0.000) 6.834 22.411 ( -4.984 -6.649 0.000) 8.310 23.242 ( 3.706 0.288 0.000) 3.717 23.277 ( 3.960 -0.957 0.000) 4.074 23.305 ( -2.555 0.458 0.000) 2.596 23.347 ( -2.856 -1.177 0.000) 3.089 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.000 -3.861 0.000) 3.861 2.599 ( 0.000 3.861 0.000) 3.861 3.002 ( 0.000 -1.945 0.000) 1.945 3.002 ( 0.000 1.945 0.000) 1.945 3.160 ( 0.000 -3.249 0.000) 3.249 3.160 ( 0.000 3.249 0.000) 3.249 3.306 ( 0.000 -1.406 0.000) 1.406 3.306 ( 0.000 1.406 0.000) 1.406 3.495 ( 0.000 -6.498 0.000) 6.498 3.495 ( 0.000 6.499 0.000) 6.499 3.556 ( 0.000 -0.819 0.000) 0.819 3.556 ( 0.000 0.819 0.000) 0.819 3.575 ( 0.000 -2.545 0.000) 2.545 3.575 ( 0.000 2.545 0.000) 2.545 4.020 ( 0.000 -4.898 0.000) 4.898 4.020 ( 0.000 4.898 0.000) 4.898 4.506 ( 0.000 -2.236 0.000) 2.236 4.506 ( 0.000 2.236 0.000) 2.236 4.717 ( 0.000 -2.710 0.000) 2.710 4.717 ( 0.000 2.710 0.000) 2.710 5.135 ( 0.000 -1.204 0.000) 1.204 5.135 ( 0.000 1.204 0.000) 1.204 5.340 ( 0.000 -0.172 0.000) 0.172 5.340 ( 0.000 0.172 0.000) 0.172 5.792 ( 0.000 -2.773 0.000) 2.773 5.792 ( 0.000 2.773 0.000) 2.773 6.164 ( 0.000 -5.723 0.000) 5.723 6.164 ( 0.000 5.723 0.000) 5.723 7.070 ( 0.000 -0.271 0.000) 0.271 7.070 ( 0.000 0.271 0.000) 0.271 7.414 ( 0.000 -22.401 0.000) 22.401 7.414 ( 0.000 22.401 0.000) 22.401 7.457 ( 0.000 -9.716 0.000) 9.716 7.457 ( 0.000 9.716 0.000) 9.716 7.708 ( 0.000 -6.463 0.000) 6.463 7.708 ( 0.000 6.463 0.000) 6.463 7.983 ( 0.000 -1.394 0.000) 1.394 7.983 ( 0.000 1.395 0.000) 1.395 8.248 ( 0.000 -8.835 0.000) 8.835 8.248 ( 0.000 8.835 0.000) 8.835 8.820 ( 0.000 -11.509 0.000) 11.509 8.820 ( 0.000 11.509 0.000) 11.509 8.897 ( 0.000 -9.171 0.000) 9.171 8.897 ( 0.000 9.171 0.000) 9.171 9.475 ( 0.000 -3.816 0.000) 3.816 9.475 ( 0.000 3.816 0.000) 3.816 9.634 ( 0.000 -10.382 0.000) 10.382 9.634 ( 0.000 10.382 0.000) 10.382 9.899 ( 0.000 -4.587 0.000) 4.587 9.899 ( 0.000 4.587 0.000) 4.587 10.005 ( 0.000 -8.110 0.000) 8.110 10.005 ( 0.000 8.110 0.000) 8.110 10.557 ( 0.000 -8.260 0.000) 8.260 10.557 ( 0.000 8.260 0.000) 8.260 10.700 ( 0.000 -9.702 0.000) 9.702 10.700 ( 0.000 9.703 0.000) 9.703 11.311 ( 0.000 -14.934 0.000) 14.934 11.311 ( 0.000 14.934 0.000) 14.934 11.346 ( 0.000 -1.110 0.000) 1.110 11.346 ( 0.000 1.110 0.000) 1.110 11.751 ( 0.000 -10.563 0.000) 10.563 11.751 ( 0.000 10.563 0.000) 10.563 12.654 ( 0.000 -3.768 0.000) 3.768 12.654 ( 0.000 3.768 0.000) 3.768 13.050 ( 0.000 -18.451 0.000) 18.451 13.050 ( 0.000 18.451 0.000) 18.451 13.642 ( 0.000 -1.144 0.000) 1.144 13.642 ( 0.000 1.144 0.000) 1.144 13.952 ( 0.000 -12.086 0.000) 12.086 13.952 ( 0.000 12.086 0.000) 12.086 14.181 ( 0.000 -16.687 0.000) 16.687 14.181 ( 0.000 16.687 0.000) 16.687 14.781 ( 0.000 -5.769 0.000) 5.769 14.781 ( 0.000 5.769 0.000) 5.769 14.786 ( 0.000 -11.766 0.000) 11.766 14.786 ( 0.000 11.767 0.000) 11.767 16.620 ( 0.000 -9.622 0.000) 9.622 16.620 ( 0.000 9.622 0.000) 9.622 16.899 ( 0.000 -0.468 0.000) 0.468 16.899 ( 0.000 0.468 0.000) 0.468 17.299 ( 0.000 -7.613 0.000) 7.613 17.299 ( 0.000 7.614 0.000) 7.614 17.657 ( 0.000 -4.353 0.000) 4.353 17.657 ( 0.000 4.353 0.000) 4.353 19.799 ( 0.000 -7.603 0.000) 7.603 19.799 ( 0.000 7.603 0.000) 7.603 20.032 ( 0.000 -12.011 0.000) 12.011 20.032 ( 0.000 12.011 0.000) 12.011 22.157 ( 0.000 -3.270 0.000) 3.270 22.157 ( 0.000 3.270 0.000) 3.270 22.418 ( 0.000 -4.381 0.000) 4.381 22.418 ( 0.000 4.381 0.000) 4.381 23.151 ( 0.000 -1.126 0.000) 1.126 23.151 ( 0.000 1.126 0.000) 1.126 23.377 ( 0.000 -1.322 0.000) 1.322 23.377 ( 0.000 1.322 0.000) 1.322 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 6.404 -6.225 0.000) 8.930 2.668 ( 6.404 6.225 0.000) 8.930 2.992 ( -1.120 -2.481 0.000) 2.722 2.992 ( -1.120 2.481 0.000) 2.722 3.165 ( 0.567 -3.701 0.000) 3.744 3.165 ( 0.567 3.701 0.000) 3.744 3.297 ( -1.046 -3.740 0.000) 3.883 3.297 ( -1.046 3.740 0.000) 3.883 3.447 ( -2.663 -4.993 0.000) 5.659 3.447 ( -2.663 4.993 0.000) 5.659 3.509 ( -4.206 -1.932 0.000) 4.628 3.509 ( -4.206 1.932 0.000) 4.628 3.661 ( 6.483 -3.472 0.000) 7.354 3.661 ( 6.483 3.472 0.000) 7.354 4.003 ( -1.903 -4.997 0.000) 5.347 4.003 ( -1.903 4.997 0.000) 5.347 4.500 ( -0.461 -2.356 0.000) 2.400 4.500 ( -0.461 2.356 0.000) 2.400 4.640 ( -5.914 -2.997 0.000) 6.630 4.640 ( -5.914 2.997 0.000) 6.630 5.219 ( 6.501 -4.328 0.000) 7.810 5.219 ( 6.501 4.328 0.000) 7.810 5.352 ( 1.010 -1.495 0.000) 1.804 5.352 ( 1.010 1.495 0.000) 1.804 5.807 ( 1.753 -2.978 0.000) 3.456 5.807 ( 1.753 2.978 0.000) 3.456 6.120 ( -4.280 -5.408 0.000) 6.896 6.120 ( -4.280 5.408 0.000) 6.896 7.125 ( 4.863 -2.256 0.000) 5.361 7.125 ( 4.863 2.256 0.000) 5.361 7.406 ( -4.112 -6.692 0.000) 7.854 7.406 ( -4.112 6.692 0.000) 7.854 7.438 ( 2.594 -21.544 0.000) 21.699 7.438 ( 2.594 21.544 0.000) 21.699 7.720 ( -0.359 -8.930 0.000) 8.937 7.720 ( -0.359 8.930 0.000) 8.937 8.015 ( 3.471 -5.888 0.000) 6.835 8.015 ( 3.471 5.888 0.000) 6.835 8.240 ( -0.945 -9.092 0.000) 9.141 8.240 ( -0.945 9.092 0.000) 9.141 8.829 ( 0.881 -10.974 0.000) 11.010 8.829 ( 0.881 10.974 0.000) 11.010 8.892 ( -0.524 -9.113 0.000) 9.128 8.892 ( -0.524 9.113 0.000) 9.128 9.460 ( -1.195 -5.218 0.000) 5.353 9.460 ( -1.195 5.218 0.000) 5.353 9.576 ( -4.709 -9.161 0.000) 10.300 9.576 ( -4.709 9.161 0.000) 10.300 9.920 ( 2.103 -6.548 0.000) 6.878 9.920 ( 2.102 6.549 0.000) 6.878 10.024 ( 1.039 -10.972 0.000) 11.021 10.024 ( 1.039 10.972 0.000) 11.021 10.653 ( 8.394 -8.535 0.000) 11.971 10.653 ( 8.394 8.535 0.000) 11.971 10.731 ( 2.872 -10.438 0.000) 10.826 10.731 ( 2.872 10.438 0.000) 10.826 11.292 ( -1.952 -10.821 0.000) 10.995 11.292 ( -1.952 10.821 0.000) 10.996 11.327 ( -1.804 -5.595 0.000) 5.878 11.327 ( -1.804 5.595 0.000) 5.878 11.743 ( 0.579 -11.924 0.000) 11.938 11.743 ( 0.579 11.924 0.000) 11.938 12.516 ( -14.019 -0.515 0.000) 14.029 12.516 ( -14.019 0.515 0.000) 14.029 13.047 ( 1.782 -17.074 0.000) 17.167 13.047 ( 1.782 17.074 0.000) 17.167 13.536 ( -8.908 -4.563 0.000) 10.009 13.536 ( -8.908 4.563 0.000) 10.009 14.023 ( 5.594 -14.386 0.000) 15.435 14.023 ( 5.594 14.386 0.000) 15.435 14.213 ( 1.859 -17.321 0.000) 17.420 14.213 ( 1.859 17.321 0.000) 17.420 14.810 ( 2.473 -8.824 0.000) 9.164 14.810 ( 2.473 8.824 0.000) 9.164 14.811 ( 2.237 -13.439 0.000) 13.624 14.811 ( 2.237 13.439 0.000) 13.624 16.650 ( 2.995 -8.559 0.000) 9.068 16.650 ( 2.995 8.559 0.000) 9.068 16.880 ( -1.945 -0.853 0.000) 2.124 16.880 ( -1.945 0.854 0.000) 2.124 17.323 ( 2.446 -7.703 0.000) 8.082 17.323 ( 2.446 7.704 0.000) 8.083 17.612 ( -4.242 -5.281 0.000) 6.774 17.612 ( -4.242 5.281 0.000) 6.774 19.824 ( 2.389 -8.346 0.000) 8.681 19.824 ( 2.389 8.346 0.000) 8.681 20.012 ( -1.942 -11.793 0.000) 11.952 20.012 ( -1.942 11.793 0.000) 11.952 22.174 ( 1.702 -3.395 0.000) 3.798 22.174 ( 1.702 3.395 0.000) 3.798 22.381 ( -3.350 -4.271 0.000) 5.428 22.381 ( -3.350 4.271 0.000) 5.428 23.185 ( 3.050 -1.052 0.000) 3.227 23.185 ( 3.050 1.052 0.000) 3.227 23.364 ( -1.359 -1.274 0.000) 1.863 23.364 ( -1.359 1.274 0.000) 1.863 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 7.971 -7.326 0.000) 10.826 2.823 ( 7.971 7.326 0.000) 10.826 2.946 ( -3.929 -4.587 0.000) 6.039 2.946 ( -3.929 4.587 0.000) 6.040 3.190 ( 2.175 -5.247 0.000) 5.680 3.190 ( 2.175 5.247 0.000) 5.680 3.253 ( -3.381 -7.031 0.000) 7.801 3.253 ( -3.381 7.031 0.000) 7.802 3.411 ( -0.743 -2.808 0.000) 2.905 3.411 ( -0.743 2.809 0.000) 2.905 3.428 ( -2.724 -2.994 0.000) 4.048 3.428 ( -2.724 2.994 0.000) 4.048 3.804 ( 7.315 -3.732 0.000) 8.213 3.804 ( 7.315 3.732 0.000) 8.213 3.934 ( -5.150 -4.703 0.000) 6.974 3.934 ( -5.150 4.703 0.000) 6.975 4.497 ( 0.532 -2.258 0.000) 2.320 4.497 ( 0.532 2.258 0.000) 2.320 4.537 ( -3.711 -1.797 0.000) 4.123 4.537 ( -3.711 1.797 0.000) 4.123 5.331 ( 3.859 -3.965 0.000) 5.533 5.331 ( 3.859 3.966 0.000) 5.533 5.366 ( -0.017 -2.493 0.000) 2.493 5.366 ( -0.017 2.493 0.000) 2.493 5.876 ( 5.261 -4.471 0.000) 6.904 5.876 ( 5.261 4.471 0.000) 6.904 6.004 ( -6.785 -5.007 0.000) 8.432 6.004 ( -6.785 5.007 0.000) 8.432 7.229 ( 4.912 -3.107 0.000) 5.812 7.229 ( 4.912 3.107 0.000) 5.812 7.319 ( -4.319 -4.063 0.000) 5.929 7.319 ( -4.319 4.063 0.000) 5.929 7.528 ( 6.308 -18.439 0.000) 19.488 7.528 ( 6.308 18.440 0.000) 19.489 7.658 ( -5.597 -14.013 0.000) 15.089 7.658 ( -5.597 14.013 0.000) 15.089 8.112 ( 5.322 -9.568 0.000) 10.948 8.112 ( 5.322 9.568 0.000) 10.949 8.200 ( -3.183 -9.704 0.000) 10.213 8.200 ( -3.183 9.704 0.000) 10.213 8.852 ( 1.304 -9.828 0.000) 9.914 8.852 ( 1.304 9.828 0.000) 9.914 8.876 ( -1.004 -9.125 0.000) 9.180 8.876 ( -1.004 9.125 0.000) 9.180 9.447 ( 0.372 -6.712 0.000) 6.722 9.447 ( 0.373 6.712 0.000) 6.722 9.486 ( -3.569 -7.856 0.000) 8.629 9.486 ( -3.569 7.856 0.000) 8.629 9.975 ( 3.010 -9.195 0.000) 9.675 9.975 ( 3.010 9.195 0.000) 9.675 10.022 ( -1.346 -11.419 0.000) 11.498 10.022 ( -1.346 11.419 0.000) 11.498 10.799 ( 3.193 -11.578 0.000) 12.010 10.799 ( 3.193 11.578 0.000) 12.010 10.804 ( 4.223 -11.264 0.000) 12.030 10.804 ( 4.223 11.264 0.000) 12.030 11.253 ( -0.701 -7.135 0.000) 7.169 11.253 ( -0.701 7.135 0.000) 7.169 11.280 ( -2.557 -8.899 0.000) 9.259 11.280 ( -2.557 8.899 0.000) 9.259 11.844 ( 10.606 -10.355 0.000) 14.822 11.844 ( 10.606 10.355 0.000) 14.823 12.158 ( -19.128 -4.706 0.000) 19.699 12.158 ( -19.128 4.706 0.000) 19.699 13.148 ( 7.802 -12.880 0.000) 15.059 13.148 ( 7.802 12.880 0.000) 15.059 13.335 ( -10.349 -8.481 0.000) 13.380 13.335 ( -10.349 8.482 0.000) 13.381 14.136 ( 5.187 -16.231 0.000) 17.040 14.136 ( 5.187 16.231 0.000) 17.040 14.213 ( -2.119 -17.308 0.000) 17.438 14.213 ( -2.119 17.308 0.000) 17.438 14.855 ( 1.502 -14.394 0.000) 14.472 14.855 ( 1.502 14.394 0.000) 14.473 14.855 ( 1.469 -12.532 0.000) 12.618 14.855 ( 1.469 12.532 0.000) 12.618 16.731 ( 4.658 -5.651 0.000) 7.323 16.731 ( 4.658 5.651 0.000) 7.323 16.820 ( -3.931 -2.502 0.000) 4.659 16.820 ( -3.931 2.502 0.000) 4.660 17.396 ( 4.720 -7.745 0.000) 9.070 17.396 ( 4.720 7.745 0.000) 9.070 17.505 ( -5.872 -6.962 0.000) 9.108 17.505 ( -5.872 6.962 0.000) 9.108 19.886 ( 3.600 -9.829 0.000) 10.468 19.886 ( 3.600 9.829 0.000) 10.468 19.958 ( -3.331 -11.082 0.000) 11.572 19.958 ( -3.331 11.082 0.000) 11.572 22.225 ( 3.273 -3.697 0.000) 4.938 22.225 ( 3.273 3.698 0.000) 4.938 22.301 ( -4.197 -4.023 0.000) 5.814 22.301 ( -4.197 4.023 0.000) 5.814 23.256 ( 3.702 -1.045 0.000) 3.847 23.256 ( 3.702 1.045 0.000) 3.847 23.323 ( -2.751 -1.160 0.000) 2.986 23.323 ( -2.751 1.160 0.000) 2.986 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 29.402) 29.402 0.673 ( 0.000 0.000 35.495) 35.495 1.010 ( 0.000 0.000 53.002) 53.002 1.965 ( 0.000 0.000 -18.295) 18.295 2.235 ( 0.000 0.000 -19.361) 19.361 2.368 ( 0.000 0.000 10.457) 10.457 2.579 ( 0.000 0.000 -0.137) 0.137 2.620 ( 0.000 0.000 4.782) 4.782 2.670 ( 0.000 0.000 6.874) 6.874 2.790 ( 0.000 0.000 8.427) 8.427 3.015 ( 0.000 0.000 -5.123) 5.123 3.042 ( 0.000 0.000 -4.085) 4.085 3.156 ( 0.000 0.000 -2.048) 2.048 3.200 ( 0.000 0.000 2.755) 2.755 3.224 ( 0.000 0.000 -18.570) 18.570 3.235 ( 0.000 0.000 6.014) 6.014 3.295 ( 0.000 0.000 -0.662) 0.662 3.769 ( 0.000 0.000 2.025) 2.025 3.792 ( 0.000 0.000 4.130) 4.130 4.218 ( 0.000 0.000 -7.212) 7.212 4.293 ( 0.000 0.000 1.470) 1.470 4.629 ( 0.000 0.000 0.183) 0.183 4.664 ( 0.000 0.000 -0.631) 0.631 4.798 ( 0.000 0.000 3.199) 3.199 4.804 ( 0.000 0.000 -6.652) 6.652 4.844 ( 0.000 0.000 1.512) 1.512 4.953 ( 0.000 0.000 -1.237) 1.237 5.088 ( 0.000 0.000 -2.756) 2.756 5.673 ( 0.000 0.000 -1.630) 1.630 5.773 ( 0.000 0.000 -2.053) 2.053 6.232 ( 0.000 0.000 0.420) 0.420 6.389 ( 0.000 0.000 -1.611) 1.611 6.815 ( 0.000 0.000 2.111) 2.111 7.012 ( 0.000 0.000 3.431) 3.431 7.054 ( 0.000 0.000 -5.578) 5.578 7.171 ( 0.000 0.000 0.840) 0.840 7.230 ( 0.000 0.000 -1.751) 1.751 7.582 ( 0.000 0.000 13.854) 13.854 7.594 ( 0.000 0.000 -12.014) 12.014 8.002 ( 0.000 0.000 7.224) 7.224 8.471 ( 0.000 0.000 0.493) 0.493 8.490 ( 0.000 0.000 0.020) 0.020 8.527 ( 0.000 0.000 1.106) 1.106 8.686 ( 0.000 0.000 -6.085) 6.085 9.431 ( 0.000 0.000 7.817) 7.817 9.824 ( 0.000 0.000 -2.082) 2.082 9.897 ( 0.000 0.000 0.185) 0.185 9.956 ( 0.000 0.000 -1.469) 1.469 10.352 ( 0.000 0.000 0.241) 0.241 10.493 ( 0.000 0.000 6.222) 6.222 10.498 ( 0.000 0.000 -1.391) 1.391 10.698 ( 0.000 0.000 -2.522) 2.522 10.745 ( 0.000 0.000 -1.661) 1.661 10.773 ( 0.000 0.000 -6.218) 6.218 11.080 ( 0.000 0.000 7.373) 7.373 11.235 ( 0.000 0.000 2.991) 2.991 11.507 ( 0.000 0.000 2.453) 2.453 11.619 ( 0.000 0.000 -7.188) 7.188 11.800 ( 0.000 0.000 -11.941) 11.941 11.851 ( 0.000 0.000 -6.490) 6.490 12.046 ( 0.000 0.000 2.436) 2.436 12.089 ( 0.000 0.000 3.079) 3.079 12.313 ( 0.000 0.000 2.026) 2.026 12.324 ( 0.000 0.000 1.143) 1.143 12.594 ( 0.000 0.000 9.852) 9.852 13.019 ( 0.000 0.000 2.475) 2.475 13.579 ( 0.000 0.000 0.523) 0.523 13.891 ( 0.000 0.000 7.434) 7.434 13.916 ( 0.000 0.000 7.522) 7.522 14.056 ( 0.000 0.000 -18.452) 18.452 14.372 ( 0.000 0.000 -4.932) 4.932 14.392 ( 0.000 0.000 -4.786) 4.786 14.814 ( 0.000 0.000 -2.327) 2.327 14.894 ( 0.000 0.000 -5.279) 5.279 15.538 ( 0.000 0.000 9.397) 9.397 15.762 ( 0.000 0.000 13.219) 13.219 15.783 ( 0.000 0.000 2.438) 2.438 16.244 ( 0.000 0.000 -0.887) 0.887 16.340 ( 0.000 0.000 -2.931) 2.931 16.407 ( 0.000 0.000 -5.516) 5.516 18.881 ( 0.000 0.000 2.764) 2.764 19.134 ( 0.000 0.000 -3.449) 3.449 19.923 ( 0.000 0.000 4.569) 4.569 20.370 ( 0.000 0.000 -8.147) 8.147 20.486 ( 0.000 0.000 0.217) 0.217 20.504 ( 0.000 0.000 -0.225) 0.225 20.506 ( 0.000 0.000 0.119) 0.119 20.516 ( 0.000 0.000 -0.110) 0.110 20.922 ( 0.000 0.000 8.033) 8.033 21.384 ( 0.000 0.000 -6.100) 6.100 21.546 ( 0.000 0.000 1.667) 1.667 21.552 ( 0.000 0.000 0.485) 0.485 23.191 ( 0.000 0.000 2.985) 2.985 23.541 ( 0.000 0.000 -8.648) 8.648 23.892 ( 0.000 0.000 9.589) 9.589 24.329 ( 0.000 0.000 -4.199) 4.199 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 20.296 0.000 21.367) 29.469 0.925 ( 21.346 0.000 24.895) 32.794 1.411 ( 35.808 0.000 34.683) 49.851 2.041 ( 4.370 0.000 -19.298) 19.787 2.193 ( -12.332 0.000 10.227) 16.021 2.208 ( -6.382 0.000 -9.858) 11.743 2.493 ( -5.674 0.000 -2.389) 6.157 2.544 ( -1.941 0.000 2.189) 2.926 2.699 ( -0.113 0.000 6.939) 6.940 2.824 ( -0.455 0.000 2.659) 2.697 2.849 ( -10.571 0.000 -0.768) 10.599 2.959 ( -4.251 0.000 -0.747) 4.316 3.119 ( -2.848 0.000 2.527) 3.807 3.254 ( 6.992 0.000 -6.870) 9.803 3.278 ( 4.676 0.000 -0.439) 4.696 3.332 ( 2.768 0.000 -0.859) 2.898 3.461 ( 11.030 0.000 -8.506) 13.929 3.676 ( -8.637 0.000 6.484) 10.800 3.861 ( 6.273 0.000 -2.946) 6.931 4.141 ( -16.658 0.000 1.535) 16.728 4.255 ( 4.062 0.000 -5.430) 6.781 4.523 ( -8.814 0.000 2.709) 9.221 4.648 ( 2.016 0.000 0.471) 2.071 4.702 ( 3.374 0.000 -0.846) 3.479 4.826 ( -1.799 0.000 1.470) 2.323 4.932 ( -2.128 0.000 -1.209) 2.448 4.961 ( 1.913 0.000 -4.627) 5.007 5.087 ( -0.869 0.000 -2.229) 2.392 5.718 ( 5.336 0.000 -1.302) 5.492 5.914 ( 8.045 0.000 -6.230) 10.175 6.208 ( -3.686 0.000 5.550) 6.662 6.273 ( -5.530 0.000 6.213) 8.318 6.769 ( -1.441 0.000 2.365) 2.769 6.911 ( 3.344 0.000 -0.127) 3.347 7.148 ( 5.608 0.000 -7.454) 9.328 7.206 ( -1.128 0.000 -4.094) 4.246 7.404 ( 2.983 0.000 5.787) 6.510 7.585 ( 2.940 0.000 10.693) 11.090 7.720 ( 8.422 0.000 -7.523) 11.292 7.946 ( -6.626 0.000 2.969) 7.261 8.472 ( 0.116 0.000 0.454) 0.469 8.488 ( -0.237 0.000 0.074) 0.248 8.506 ( 5.384 0.000 -4.380) 6.941 8.708 ( 1.148 0.000 -5.924) 6.034 9.486 ( -0.473 0.000 -0.042) 0.475 9.717 ( -9.592 0.000 -3.191) 10.109 9.898 ( 0.102 0.000 -0.118) 0.156 9.944 ( -1.071 0.000 -1.429) 1.786 10.365 ( -11.888 0.000 14.702) 18.907 10.376 ( 2.184 0.000 0.922) 2.370 10.482 ( -0.580 0.000 4.696) 4.731 10.537 ( 3.178 0.000 -0.214) 3.185 10.735 ( -1.109 0.000 -1.650) 1.988 10.805 ( -11.357 0.000 -6.581) 13.126 11.226 ( -0.598 0.000 2.599) 2.667 11.231 ( 11.730 0.000 -4.298) 12.492 11.416 ( -6.211 0.000 0.240) 6.216 11.680 ( -4.814 0.000 -4.903) 6.871 11.695 ( 4.800 0.000 -4.976) 6.914 11.847 ( -0.429 0.000 -6.201) 6.216 12.197 ( 11.455 0.000 1.501) 11.553 12.222 ( 6.590 0.000 5.956) 8.883 12.320 ( 2.435 0.000 0.605) 2.509 12.391 ( 5.270 0.000 2.707) 5.925 12.748 ( 9.422 0.000 -7.144) 11.825 13.025 ( -0.011 0.000 1.162) 1.162 13.480 ( -7.999 0.000 0.414) 8.010 13.893 ( 0.202 0.000 7.441) 7.443 13.903 ( -16.282 0.000 -10.530) 19.390 13.913 ( -0.268 0.000 7.511) 7.516 14.374 ( 0.195 0.000 -4.911) 4.915 14.390 ( -0.171 0.000 -4.794) 4.797 14.759 ( 4.950 0.000 2.704) 5.640 15.011 ( 3.672 0.000 -2.299) 4.332 15.558 ( 1.502 0.000 1.678) 2.252 15.753 ( -3.325 0.000 2.861) 4.386 15.798 ( 3.034 0.000 11.505) 11.898 16.026 ( -6.494 0.000 9.108) 11.186 16.427 ( 2.010 0.000 -5.482) 5.839 16.541 ( 4.490 0.000 -11.917) 12.734 18.911 ( 3.011 0.000 3.427) 4.562 19.144 ( -0.282 0.000 0.290) 0.405 19.910 ( -1.267 0.000 3.550) 3.769 20.175 ( -17.981 0.000 5.765) 18.883 20.486 ( -0.012 0.000 0.190) 0.190 20.499 ( -0.365 0.000 -0.097) 0.378 20.510 ( 0.269 0.000 0.033) 0.271 20.518 ( 0.122 0.000 -0.125) 0.175 20.686 ( -7.252 0.000 21.104) 22.315 21.033 ( -7.509 0.000 8.851) 11.608 21.390 ( -4.483 0.000 -6.229) 7.674 21.525 ( -7.462 0.000 -3.542) 8.260 23.268 ( 6.707 0.000 3.093) 7.386 23.612 ( -1.346 0.000 -4.817) 5.001 24.218 ( 12.887 0.000 -6.215) 14.308 24.435 ( 6.878 0.000 -10.487) 12.541 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 22.677 0.000 14.472) 26.901 1.409 ( 25.314 0.000 14.309) 29.078 1.731 ( -19.605 0.000 9.667) 21.859 1.893 ( -22.003 0.000 6.935) 23.070 2.142 ( 16.604 0.000 -1.864) 16.709 2.261 ( 8.255 0.000 3.452) 8.947 2.533 ( 7.094 0.000 -13.084) 14.884 2.535 ( 10.412 0.000 -1.266) 10.488 2.677 ( -0.070 0.000 9.679) 9.680 2.704 ( -8.932 0.000 -10.229) 13.580 2.755 ( 2.478 0.000 4.720) 5.331 2.970 ( 3.355 0.000 7.262) 7.999 3.048 ( -4.030 0.000 5.347) 6.695 3.252 ( -31.050 0.000 5.008) 31.452 3.352 ( 2.470 0.000 -0.912) 2.633 3.371 ( 0.627 0.000 -1.029) 1.205 3.423 ( 8.183 0.000 -1.862) 8.392 3.590 ( -5.485 0.000 -6.472) 8.484 3.887 ( 3.930 0.000 -8.613) 9.468 3.974 ( -0.966 0.000 0.115) 0.973 4.360 ( 4.706 0.000 -2.978) 5.569 4.427 ( -3.007 0.000 -0.902) 3.139 4.705 ( 3.386 0.000 0.870) 3.496 4.768 ( -1.272 0.000 0.279) 1.302 4.790 ( 2.581 0.000 -0.068) 2.582 4.871 ( -3.803 0.000 -1.108) 3.962 4.958 ( 0.819 0.000 -2.539) 2.668 5.029 ( -4.698 0.000 -0.770) 4.761 5.854 ( 7.354 0.000 -0.529) 7.373 5.981 ( -3.595 0.000 -2.803) 4.559 6.150 ( 2.161 0.000 7.039) 7.363 6.217 ( -2.726 0.000 3.546) 4.473 6.830 ( 6.596 0.000 -1.855) 6.851 6.952 ( -1.643 0.000 -5.382) 5.627 7.130 ( -3.684 0.000 0.386) 3.704 7.163 ( -3.863 0.000 -0.921) 3.971 7.523 ( 10.795 0.000 4.133) 11.559 7.725 ( 0.378 0.000 3.180) 3.203 7.743 ( 1.414 0.000 4.004) 4.246 7.871 ( -1.417 0.000 -3.276) 3.569 8.476 ( 0.241 0.000 0.349) 0.424 8.482 ( -0.315 0.000 0.205) 0.376 8.663 ( 7.386 0.000 -4.855) 8.839 8.732 ( 0.438 0.000 -3.927) 3.952 9.406 ( -3.325 0.000 -0.894) 3.443 9.491 ( -10.947 0.000 -2.640) 11.261 9.904 ( 0.547 0.000 -0.720) 0.904 9.920 ( -1.090 0.000 -1.204) 1.624 10.299 ( 5.315 0.000 6.814) 8.641 10.425 ( 2.398 0.000 2.520) 3.479 10.464 ( -1.377 0.000 4.062) 4.289 10.518 ( -14.673 0.000 -0.991) 14.707 10.616 ( 4.332 0.000 -0.830) 4.411 10.694 ( -3.120 0.000 -1.373) 3.409 11.232 ( 1.677 0.000 1.519) 2.262 11.300 ( -4.934 0.000 0.416) 4.952 11.444 ( 9.301 0.000 -1.823) 9.478 11.593 ( -5.445 0.000 -2.142) 5.852 11.779 ( 3.355 0.000 -4.988) 6.012 11.828 ( -1.624 0.000 -5.572) 5.804 12.306 ( 2.018 0.000 4.575) 5.000 12.316 ( 1.101 0.000 2.380) 2.622 12.475 ( 9.799 0.000 -1.714) 9.948 12.532 ( 5.309 0.000 0.757) 5.363 12.897 ( 5.933 0.000 -6.336) 8.681 12.995 ( -3.424 0.000 -2.672) 4.344 13.357 ( -0.928 0.000 1.904) 2.118 13.533 ( -17.005 0.000 -0.330) 17.008 13.899 ( 0.359 0.000 7.459) 7.468 13.906 ( -0.399 0.000 7.485) 7.496 14.379 ( 0.303 0.000 -4.864) 4.874 14.385 ( -0.288 0.000 -4.820) 4.829 14.916 ( 7.975 0.000 -0.580) 7.996 15.025 ( -2.378 0.000 -0.683) 2.474 15.596 ( 2.477 0.000 -1.382) 2.837 15.664 ( -4.403 0.000 0.075) 4.403 15.875 ( 4.092 0.000 11.168) 11.894 15.948 ( -3.093 0.000 9.621) 10.106 16.482 ( 3.265 0.000 -5.967) 6.801 16.545 ( -2.453 0.000 -8.105) 8.468 18.994 ( 5.000 0.000 5.078) 7.127 19.094 ( -4.375 0.000 5.559) 7.074 19.893 ( 0.583 0.000 0.590) 0.829 19.950 ( -5.383 0.000 2.235) 5.829 20.487 ( 0.152 0.000 0.118) 0.193 20.492 ( -0.328 0.000 0.016) 0.328 20.515 ( 0.251 0.000 -0.035) 0.254 20.519 ( -0.068 0.000 -0.098) 0.120 20.722 ( 6.585 0.000 8.603) 10.834 20.884 ( -8.493 0.000 6.385) 10.626 21.329 ( -0.366 0.000 -5.939) 5.951 21.384 ( -5.484 0.000 -5.490) 7.760 23.417 ( 7.311 0.000 1.778) 7.525 23.543 ( -5.090 0.000 -0.861) 5.162 24.395 ( 6.510 0.000 -3.509) 7.396 24.482 ( -1.722 0.000 -6.298) 6.529 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 21.197 14.847) 25.880 0.850 ( 0.000 24.559 18.647) 30.836 1.626 ( 0.000 40.893 37.947) 55.787 2.058 ( 0.000 9.049 -17.148) 19.389 2.179 ( 0.000 -3.466 -21.106) 21.389 2.401 ( 0.000 4.070 7.518) 8.549 2.619 ( 0.000 3.170 -0.211) 3.178 2.704 ( 0.000 4.017 6.910) 7.993 2.758 ( 0.000 11.938 4.972) 12.932 2.838 ( 0.000 3.789 9.887) 10.588 3.037 ( 0.000 3.362 -5.190) 6.184 3.089 ( 0.000 -2.596 1.523) 3.010 3.120 ( 0.000 6.220 -3.481) 7.128 3.250 ( 0.000 7.565 -1.040) 7.636 3.336 ( 0.000 2.690 1.219) 2.954 3.376 ( 0.000 11.108 -10.988) 15.625 3.385 ( 0.000 10.486 1.016) 10.535 3.702 ( 0.000 -3.452 4.420) 5.608 3.768 ( 0.000 0.765 -2.926) 3.024 4.174 ( 0.000 -5.356 -1.287) 5.509 4.263 ( 0.000 2.170 -2.154) 3.057 4.684 ( 0.000 0.838 5.046) 5.115 4.728 ( 0.000 2.578 -3.309) 4.195 4.965 ( 0.000 22.254 -2.480) 22.392 5.006 ( 0.000 8.226 -0.690) 8.255 5.073 ( 0.000 23.759 -2.355) 23.876 5.141 ( 0.000 11.570 0.266) 11.573 5.197 ( 0.000 22.304 -1.138) 22.333 5.711 ( 0.000 3.750 -1.595) 4.075 5.778 ( 0.000 0.628 -0.905) 1.102 6.231 ( 0.000 0.331 -0.390) 0.511 6.234 ( 0.000 -5.759 6.586) 8.749 6.841 ( 0.000 2.437 1.917) 3.100 6.883 ( 0.000 -2.554 6.561) 7.041 7.014 ( 0.000 0.308 2.325) 2.346 7.141 ( 0.000 3.994 -5.143) 6.512 7.205 ( 0.000 -1.976 -3.413) 3.943 7.518 ( 0.000 -6.277 -12.470) 13.961 7.597 ( 0.000 2.327 13.361) 13.562 7.969 ( 0.000 -2.183 6.881) 7.219 8.494 ( 0.000 -2.180 1.131) 2.456 8.568 ( 0.000 4.561 -0.638) 4.605 8.791 ( 0.000 11.141 -4.269) 11.931 9.024 ( 0.000 20.019 -16.508) 25.947 9.329 ( 0.000 -8.032 7.451) 10.956 9.515 ( 0.000 -16.244 4.391) 16.827 9.891 ( 0.000 -8.887 -1.082) 8.952 9.947 ( 0.000 -4.429 -2.762) 5.220 10.247 ( 0.000 12.043 5.403) 13.200 10.462 ( 0.000 -2.105 -4.290) 4.778 10.572 ( 0.000 12.814 0.260) 12.817 10.669 ( 0.000 -0.448 4.629) 4.651 10.751 ( 0.000 0.978 2.618) 2.794 11.007 ( 0.000 -0.674 -3.477) 3.542 11.199 ( 0.000 5.182 -5.056) 7.240 11.309 ( 0.000 -8.626 -0.728) 8.657 11.569 ( 0.000 -2.950 1.413) 3.271 11.824 ( 0.000 0.037 -5.036) 5.036 11.891 ( 0.000 24.319 -13.645) 27.885 12.001 ( 0.000 9.245 -11.322) 14.617 12.066 ( 0.000 -0.951 4.159) 4.266 12.207 ( 0.000 1.126 -6.450) 6.548 12.340 ( 0.000 1.242 1.073) 1.642 12.365 ( 0.000 1.937 -6.774) 7.046 12.498 ( 0.000 -11.189 9.420) 14.626 12.783 ( 0.000 -21.316 3.504) 21.602 13.154 ( 0.000 -27.958 4.134) 28.262 13.515 ( 0.000 -24.654 6.182) 25.417 13.879 ( 0.000 -12.087 -20.208) 23.547 14.127 ( 0.000 9.173 4.025) 10.017 14.223 ( 0.000 3.544 -18.551) 18.886 14.483 ( 0.000 5.459 -3.862) 6.687 15.026 ( 0.000 10.739 -0.512) 10.751 15.236 ( 0.000 23.309 -5.802) 24.020 15.734 ( 0.000 4.300 9.950) 10.839 15.897 ( 0.000 5.638 5.885) 8.150 15.952 ( 0.000 14.447 4.985) 15.283 16.324 ( 0.000 -1.103 -3.411) 3.585 16.391 ( 0.000 -0.641 -4.868) 4.910 16.600 ( 0.000 31.334 -29.313) 42.908 18.865 ( 0.000 -2.641 -0.414) 2.673 18.900 ( 0.000 -20.665 -0.968) 20.687 19.327 ( 0.000 -39.304 1.916) 39.351 19.446 ( 0.000 -41.675 3.951) 41.862 20.012 ( 0.000 -32.555 7.066) 33.313 20.472 ( 0.000 -2.994 -5.006) 5.833 20.678 ( 0.000 -17.901 31.587) 36.307 20.997 ( 0.000 25.250 1.283) 25.283 21.386 ( 0.000 29.508 -4.244) 29.812 21.501 ( 0.000 6.894 -2.936) 7.493 21.628 ( 0.000 14.687 3.311) 15.056 21.662 ( 0.000 15.904 0.586) 15.915 23.193 ( 0.000 1.294 1.574) 2.037 23.502 ( 0.000 -3.714 -8.069) 8.883 23.829 ( 0.000 -6.073 8.811) 10.701 24.174 ( 0.000 -11.277 -0.250) 11.279 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 18.835 15.185 12.206) 27.099 1.125 ( 20.950 17.034 14.371) 30.587 1.852 ( 21.262 33.815 30.069) 49.997 2.080 ( -0.251 3.522 -17.245) 17.602 2.231 ( -12.319 4.927 0.743) 13.289 2.255 ( 5.433 4.849 -8.201) 10.968 2.572 ( -9.393 6.962 2.620) 11.981 2.596 ( -3.844 4.469 -0.621) 5.927 2.725 ( 0.449 3.263 7.136) 7.860 2.867 ( -9.496 2.360 0.189) 9.787 2.899 ( 0.583 6.524 4.939) 8.203 2.998 ( -4.415 4.289 -3.045) 6.867 3.178 ( -2.153 5.272 2.372) 6.168 3.301 ( 4.727 2.986 1.480) 5.783 3.356 ( 4.259 8.602 -5.323) 10.976 3.390 ( 3.453 5.619 0.467) 6.612 3.534 ( 6.083 5.725 -6.911) 10.842 3.665 ( -2.609 0.853 4.185) 5.005 3.843 ( 4.903 -0.467 -5.936) 7.713 4.089 ( -10.695 -3.274 4.560) 12.079 4.269 ( 2.316 3.062 -5.561) 6.758 4.504 ( -9.629 0.878 1.096) 9.731 4.800 ( 3.860 4.560 0.722) 6.017 4.954 ( 0.741 23.223 -0.449) 23.239 4.976 ( -2.284 10.093 -0.400) 10.356 5.087 ( 0.071 16.322 -3.314) 16.655 5.185 ( 1.139 20.081 -1.162) 20.146 5.196 ( -0.357 18.692 -1.314) 18.741 5.748 ( 4.367 3.109 -1.073) 5.467 5.884 ( 6.799 -2.189 -4.336) 8.356 6.170 ( -3.403 -2.144 6.159) 7.355 6.229 ( -1.995 -1.980 2.849) 4.002 6.796 ( -0.026 2.738 1.858) 3.309 6.936 ( 3.512 2.616 -0.700) 4.435 7.108 ( 3.753 -3.761 -2.765) 5.990 7.182 ( 0.236 -0.554 -2.727) 2.792 7.294 ( 10.836 -1.881 2.051) 11.188 7.596 ( 2.723 0.669 6.553) 7.128 7.635 ( 7.745 -5.720 -4.506) 10.630 7.917 ( -6.000 -1.538 3.653) 7.191 8.324 ( -8.941 -3.438 2.911) 10.011 8.532 ( -3.840 1.911 -1.863) 4.677 8.829 ( 3.972 13.851 -3.437) 14.814 8.999 ( -0.189 18.432 -8.567) 20.327 9.375 ( -1.208 -8.534 1.866) 8.819 9.557 ( 1.369 -10.082 -1.724) 10.319 9.895 ( 0.856 -7.501 -0.805) 7.592 9.963 ( 0.832 -1.394 -2.396) 2.894 10.262 ( 1.426 6.368 6.317) 9.082 10.404 ( -5.101 0.305 -1.101) 5.227 10.582 ( 0.016 5.102 1.737) 5.389 10.605 ( -4.555 8.246 4.675) 10.517 10.700 ( -1.750 4.826 3.762) 6.364 10.960 ( -6.311 -0.126 -2.108) 6.655 11.186 ( 1.580 1.449 -5.607) 6.003 11.380 ( 4.599 -1.076 0.947) 4.817 11.561 ( 0.557 -5.535 -1.966) 5.901 11.730 ( -13.537 13.605 -14.377) 23.980 11.786 ( -6.104 8.977 -7.592) 13.247 11.828 ( -6.237 4.227 -2.047) 7.808 12.239 ( 8.271 2.040 1.119) 8.592 12.254 ( 3.493 -1.542 3.399) 5.112 12.322 ( 5.245 -0.335 2.996) 6.049 12.441 ( 8.374 4.826 1.909) 9.851 12.607 ( 5.296 -15.630 -2.104) 16.636 12.788 ( 0.170 -21.478 3.162) 21.710 13.104 ( -4.396 -26.286 3.173) 26.839 13.422 ( -7.116 -28.058 1.929) 29.011 13.909 ( -3.202 -3.785 -10.392) 11.514 14.090 ( -8.600 5.443 -3.145) 10.653 14.213 ( 7.531 -0.972 -10.307) 12.802 14.486 ( -0.077 6.220 -4.817) 7.868 15.051 ( 1.936 13.409 -0.151) 13.549 15.190 ( -2.744 19.383 0.127) 19.577 15.774 ( 3.519 6.326 8.559) 11.209 15.862 ( -1.287 7.663 7.000) 10.458 15.981 ( 0.957 12.196 4.751) 13.123 16.125 ( -12.161 16.573 0.496) 20.563 16.404 ( 1.426 -1.591 -4.939) 5.381 16.586 ( -2.320 6.750 -14.295) 15.978 18.890 ( 2.507 -3.274 -0.297) 4.134 18.965 ( 4.214 -17.158 -3.725) 18.057 19.323 ( -0.361 -38.800 1.416) 38.828 19.408 ( -3.352 -39.141 4.124) 39.500 20.013 ( 0.217 -31.917 7.581) 32.806 20.259 ( -13.476 -16.332 17.931) 27.746 20.754 ( 5.532 -1.720 7.144) 9.198 21.013 ( 1.536 26.156 1.494) 26.243 21.197 ( -10.294 34.408 -2.001) 35.970 21.390 ( -10.582 8.191 -1.793) 13.502 21.494 ( -1.095 24.035 0.815) 24.073 21.674 ( -4.768 15.705 -2.669) 16.628 23.248 ( 5.862 -1.267 2.818) 6.626 23.559 ( -0.592 -4.912 -4.798) 6.892 24.092 ( 15.376 -12.352 -3.598) 20.048 24.240 ( 5.764 -13.612 -1.372) 14.845 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 22.978 10.604 8.098) 26.571 1.549 ( 20.237 10.687 10.481) 25.172 1.825 ( -19.841 9.195 6.058) 22.692 1.953 ( -15.919 5.019 1.053) 16.725 2.284 ( 9.162 12.505 -1.408) 15.566 2.403 ( 1.221 12.275 4.610) 13.168 2.553 ( 4.701 1.514 -14.057) 14.900 2.570 ( 12.603 4.655 -1.153) 13.485 2.699 ( -1.596 2.993 5.428) 6.401 2.751 ( -5.815 4.425 1.883) 7.545 2.844 ( 5.043 8.833 1.031) 10.223 3.034 ( 5.452 5.803 7.140) 10.694 3.089 ( -6.200 4.736 5.547) 9.573 3.345 ( -18.039 7.975 3.803) 20.086 3.408 ( -0.048 5.097 1.976) 5.467 3.431 ( 0.265 6.150 -1.601) 6.360 3.475 ( 4.448 5.278 -0.676) 6.935 3.602 ( -6.586 1.153 -5.400) 8.594 3.885 ( 4.565 1.173 -5.838) 7.503 3.964 ( -1.361 -0.155 2.156) 2.554 4.340 ( 3.353 0.795 -5.087) 6.144 4.392 ( -2.802 -0.543 -2.673) 3.910 4.871 ( 2.927 6.029 0.756) 6.745 4.922 ( -2.431 7.334 0.106) 7.727 5.013 ( 4.475 22.490 0.139) 22.931 5.088 ( -0.704 17.285 -1.871) 17.400 5.139 ( -2.252 24.043 -1.297) 24.183 5.172 ( -3.152 20.494 -1.919) 20.823 5.860 ( 6.025 0.844 -1.376) 6.237 5.952 ( -1.568 -2.129 -3.708) 4.554 6.136 ( 1.150 -1.283 6.091) 6.330 6.182 ( -2.421 -3.100 3.534) 5.288 6.863 ( 6.068 3.292 -1.423) 7.049 6.968 ( -1.612 1.876 -4.514) 5.147 7.118 ( -1.424 -0.841 0.613) 1.763 7.148 ( -3.035 -0.874 1.114) 3.349 7.524 ( 11.531 0.402 2.255) 11.756 7.706 ( 6.580 -2.136 1.857) 7.163 7.725 ( -5.459 -1.187 1.525) 5.791 7.779 ( -1.707 -6.066 -2.510) 6.783 8.287 ( 3.951 -7.811 1.156) 8.829 8.415 ( -7.316 -3.964 -1.749) 8.503 8.953 ( 7.125 18.054 -2.362) 19.552 9.014 ( 0.734 17.266 -3.695) 17.672 9.323 ( -0.918 -6.094 -0.585) 6.190 9.442 ( -10.604 -2.721 -4.127) 11.700 9.928 ( 1.869 -2.152 -0.471) 2.889 9.959 ( -1.145 1.449 -1.456) 2.352 10.293 ( 1.594 -1.683 5.430) 5.904 10.326 ( -1.931 -3.466 4.735) 6.178 10.563 ( 2.437 10.820 3.596) 11.659 10.639 ( 1.179 7.629 0.645) 7.747 10.647 ( -0.943 7.814 1.568) 8.025 10.781 ( -9.458 2.753 -0.493) 9.863 11.272 ( 5.822 1.982 -4.889) 7.857 11.397 ( -5.253 10.599 -1.569) 11.933 11.543 ( 0.676 5.669 -3.561) 6.728 11.613 ( 1.117 -1.757 -3.154) 3.779 11.677 ( -3.296 -2.866 -1.762) 4.710 11.731 ( -4.078 -7.643 -4.516) 9.769 12.305 ( 1.484 -1.840 3.703) 4.393 12.308 ( 1.226 -1.547 2.516) 3.198 12.534 ( 10.174 0.663 -0.742) 10.223 12.610 ( 3.868 0.878 -1.733) 4.328 12.713 ( 6.223 -13.426 0.219) 14.800 12.784 ( -0.792 -17.398 1.935) 17.523 13.030 ( 0.412 -25.597 1.207) 25.629 13.215 ( -13.383 -23.766 -1.910) 27.342 13.839 ( -0.714 -3.434 0.236) 3.515 13.908 ( -7.196 -0.643 3.129) 7.873 14.379 ( 6.588 0.792 -9.538) 11.619 14.465 ( -2.357 5.149 -6.974) 8.983 15.097 ( 2.769 13.961 1.195) 14.283 15.149 ( -2.080 12.682 1.309) 12.918 15.842 ( 2.890 14.531 5.006) 15.639 15.878 ( 1.731 2.574 10.334) 10.790 15.951 ( -3.512 23.106 0.494) 23.376 15.974 ( -2.667 6.617 5.774) 9.178 16.449 ( 2.993 -2.991 -5.314) 6.793 16.519 ( -3.805 -2.188 -7.344) 8.555 18.955 ( 3.554 -5.005 -0.023) 6.139 19.006 ( -0.635 -10.043 -1.737) 10.212 19.319 ( 0.271 -38.005 0.549) 38.010 19.344 ( -2.357 -37.791 1.849) 37.909 20.025 ( 1.208 -29.579 9.439) 31.072 20.079 ( -4.888 -24.364 13.886) 28.467 20.896 ( 8.726 9.001 -2.747) 12.834 21.047 ( -0.245 32.900 0.843) 32.912 21.075 ( -2.771 22.244 -2.005) 22.505 21.160 ( -9.974 9.184 -1.659) 13.660 21.499 ( 1.618 22.072 -0.933) 22.150 21.565 ( -4.904 19.033 -2.254) 19.783 23.384 ( 6.797 -2.926 1.686) 7.589 23.501 ( -4.633 -3.981 -0.859) 6.169 24.281 ( 5.366 -10.952 -2.993) 12.558 24.327 ( 1.165 -13.700 -3.373) 14.157 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 31.968 -4.487) 32.282 1.388 ( 0.000 28.042 10.596) 29.977 2.168 ( 0.000 3.240 -21.324) 21.569 2.282 ( 0.000 15.054 -13.838) 20.448 2.455 ( 0.000 38.591 26.091) 46.583 2.537 ( 0.000 9.241 3.970) 10.058 2.696 ( 0.000 4.664 0.323) 4.675 2.825 ( 0.000 7.849 6.906) 10.455 2.919 ( 0.000 4.526 11.248) 12.124 3.018 ( 0.000 11.733 3.158) 12.150 3.080 ( 0.000 1.514 1.365) 2.038 3.128 ( 0.000 5.351 -4.023) 6.695 3.279 ( 0.000 8.922 -4.002) 9.779 3.358 ( 0.000 0.178 5.348) 5.351 3.460 ( 0.000 11.325 1.247) 11.394 3.562 ( 0.000 5.948 -8.865) 10.675 3.590 ( 0.000 9.479 -2.871) 9.904 3.746 ( 0.000 7.670 3.637) 8.488 3.857 ( 0.000 8.685 -7.946) 11.772 4.095 ( 0.000 -1.350 7.934) 8.048 4.358 ( 0.000 6.875 -6.359) 9.365 4.720 ( 0.000 3.265 3.432) 4.737 4.793 ( 0.000 4.579 -6.999) 8.364 5.037 ( 0.000 -0.470 -3.581) 3.612 5.497 ( 0.000 23.847 -0.241) 23.849 5.539 ( 0.000 17.511 -2.398) 17.674 5.631 ( 0.000 32.487 3.193) 32.644 5.727 ( 0.000 20.958 0.528) 20.964 5.823 ( 0.000 8.164 -0.685) 8.193 5.833 ( 0.000 12.809 1.446) 12.891 6.258 ( 0.000 8.935 1.127) 9.006 6.301 ( 0.000 9.774 -1.833) 9.945 6.901 ( 0.000 3.303 1.352) 3.569 6.924 ( 0.000 4.817 2.312) 5.343 7.038 ( 0.000 2.668 0.679) 2.754 7.145 ( 0.000 -2.720 -2.456) 3.665 7.263 ( 0.000 7.276 -7.980) 10.799 7.406 ( 0.000 -3.958 -12.046) 12.680 7.695 ( 0.000 7.714 9.841) 12.504 7.930 ( 0.000 -1.926 6.230) 6.521 8.473 ( 0.000 0.857 2.600) 2.738 8.645 ( 0.000 3.654 -2.199) 4.265 9.060 ( 0.000 13.315 -1.060) 13.357 9.162 ( 0.000 -6.994 0.607) 7.020 9.185 ( 0.000 -4.936 6.096) 7.844 9.360 ( 0.000 3.940 -4.405) 5.910 9.653 ( 0.000 -11.722 2.259) 11.938 9.907 ( 0.000 1.146 -5.297) 5.419 10.355 ( 0.000 -3.039 3.145) 4.373 10.387 ( 0.000 -5.610 -5.335) 7.741 10.668 ( 0.000 -4.157 7.728) 8.775 10.757 ( 0.000 -0.200 5.577) 5.580 10.936 ( 0.000 15.106 -7.217) 16.742 10.999 ( 0.000 2.882 2.685) 3.939 11.187 ( 0.000 -3.435 -3.617) 4.988 11.259 ( 0.000 5.212 -9.456) 10.797 11.465 ( 0.000 -11.777 -2.286) 11.997 11.827 ( 0.000 -9.479 9.683) 13.551 11.924 ( 0.000 -26.831 -11.993) 29.389 11.980 ( 0.000 -10.453 5.845) 11.976 12.068 ( 0.000 -13.706 0.420) 13.712 12.180 ( 0.000 -4.142 5.456) 6.850 12.196 ( 0.000 1.020 4.517) 4.631 12.337 ( 0.000 7.478 0.412) 7.489 12.354 ( 0.000 -5.627 1.076) 5.729 12.363 ( 0.000 0.234 1.922) 1.936 12.724 ( 0.000 -11.596 3.494) 12.111 13.205 ( 0.000 -6.075 6.895) 9.189 13.723 ( 0.000 -5.893 -26.124) 26.781 14.219 ( 0.000 1.119 2.766) 2.984 14.362 ( 0.000 6.310 -22.304) 23.179 14.517 ( 0.000 -1.828 -3.379) 3.842 15.279 ( 0.000 14.149 -3.996) 14.703 15.595 ( 0.000 10.449 -7.764) 13.018 15.833 ( 0.000 5.293 7.131) 8.881 15.921 ( 0.000 1.121 8.066) 8.143 16.120 ( 0.000 -2.145 1.381) 2.552 16.372 ( 0.000 6.139 -2.781) 6.740 16.496 ( 0.000 14.578 1.527) 14.658 17.067 ( 0.000 14.051 -21.655) 25.814 18.436 ( 0.000 -23.528 1.013) 23.550 18.564 ( 0.000 -36.150 0.681) 36.156 18.646 ( 0.000 -22.769 -9.607) 24.712 18.798 ( 0.000 -27.942 -10.757) 29.941 19.468 ( 0.000 -16.670 17.846) 24.420 20.234 ( 0.000 -21.416 43.811) 48.765 20.398 ( 0.000 -4.375 -9.503) 10.462 21.170 ( 0.000 -4.162 -1.470) 4.414 21.813 ( 0.000 20.982 -0.568) 20.989 21.817 ( 0.000 13.290 -1.005) 13.328 22.032 ( 0.000 23.400 0.830) 23.415 22.036 ( 0.000 18.243 0.444) 18.248 23.246 ( 0.000 3.664 -0.228) 3.671 23.409 ( 0.000 -5.114 -5.769) 7.709 23.665 ( 0.000 -9.931 6.676) 11.966 23.916 ( 0.000 -14.656 -1.012) 14.691 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 10.039 26.260 0.002) 28.113 1.546 ( 12.316 23.976 7.501) 27.979 2.170 ( -0.121 6.412 -16.285) 17.502 2.372 ( 6.634 10.416 -14.471) 19.024 2.394 ( -11.460 12.272 3.745) 17.203 2.594 ( 10.997 30.854 17.878) 37.317 2.684 ( -0.900 7.124 1.040) 7.256 2.725 ( -11.785 6.865 5.317) 14.639 2.839 ( -1.096 7.114 4.992) 8.760 2.954 ( -5.646 6.353 0.166) 8.501 3.042 ( 2.260 6.733 8.031) 10.721 3.136 ( -6.019 9.653 -3.799) 11.993 3.279 ( 1.799 4.250 2.076) 5.060 3.389 ( 0.706 4.803 0.405) 4.871 3.523 ( 5.640 8.584 1.279) 10.350 3.561 ( 3.580 8.520 -4.118) 10.118 3.650 ( -0.266 7.232 -2.329) 7.602 3.737 ( 0.461 6.128 2.328) 6.571 3.913 ( 3.738 7.499 -6.432) 10.563 4.061 ( -3.888 0.962 9.324) 10.147 4.378 ( 2.085 7.544 -7.310) 10.710 4.583 ( -8.981 6.977 -1.359) 11.454 4.861 ( 3.988 2.738 -2.106) 5.276 5.023 ( -1.426 0.414 -3.360) 3.673 5.508 ( 1.823 24.892 -0.316) 24.960 5.575 ( 2.687 22.850 -2.272) 23.119 5.675 ( 3.526 28.949 2.286) 29.252 5.715 ( -1.506 23.102 0.431) 23.155 5.857 ( 3.093 1.138 -1.258) 3.528 5.879 ( 3.701 14.413 -1.268) 14.935 6.196 ( -5.120 7.827 1.800) 9.524 6.260 ( -4.103 7.959 0.036) 8.954 6.873 ( 1.551 4.706 1.299) 5.122 7.015 ( 3.323 5.152 -1.114) 6.231 7.082 ( 2.818 1.188 -0.013) 3.058 7.150 ( 0.974 -1.925 -0.106) 2.160 7.336 ( 8.163 4.539 -4.709) 10.460 7.501 ( 7.395 -4.399 -8.689) 12.229 7.678 ( -0.648 5.247 6.442) 8.334 7.900 ( -4.132 -0.242 2.875) 5.040 8.288 ( -11.606 0.290 4.595) 12.486 8.553 ( -8.662 0.643 -2.026) 8.919 9.130 ( 6.115 13.786 -1.887) 15.199 9.172 ( 1.211 -1.491 -0.463) 1.976 9.231 ( 1.041 -2.754 2.825) 4.080 9.436 ( 5.650 -1.045 -3.814) 6.896 9.705 ( 5.725 -8.102 2.379) 10.201 9.946 ( 2.479 1.042 -4.815) 5.515 10.269 ( -4.721 -4.649 3.040) 7.290 10.406 ( -2.631 -4.058 0.498) 4.861 10.642 ( -1.868 1.699 7.337) 7.759 10.763 ( 2.340 0.132 3.407) 4.136 10.900 ( -4.300 4.045 -1.768) 6.162 10.971 ( -1.337 11.468 0.825) 11.575 11.242 ( 5.088 -2.494 -5.478) 7.882 11.304 ( 4.310 1.281 -8.209) 9.360 11.480 ( 0.998 -4.659 -1.180) 4.908 11.779 ( -5.430 -4.468 0.320) 7.039 11.831 ( -11.158 0.026 1.746) 11.294 11.882 ( -5.346 -19.006 -4.664) 20.287 12.034 ( -1.426 -22.799 3.046) 23.046 12.126 ( -1.001 -18.965 5.885) 19.882 12.155 ( -3.355 -8.224 1.442) 8.998 12.335 ( 2.239 -0.778 0.122) 2.373 12.414 ( 6.715 -5.003 2.943) 8.876 12.614 ( 12.236 10.501 -0.063) 16.124 12.716 ( -0.371 -9.003 4.636) 10.133 13.044 ( -10.020 -7.253 3.134) 12.761 13.808 ( 2.472 -5.033 -17.679) 18.547 14.145 ( -6.660 -1.060 1.530) 6.915 14.312 ( -1.689 7.496 -21.006) 22.367 14.539 ( 0.778 -0.940 -5.601) 5.732 15.310 ( 2.660 13.389 -2.395) 13.859 15.538 ( -4.780 11.384 -3.781) 12.913 15.865 ( 2.645 4.182 7.061) 8.622 15.931 ( 0.947 2.632 8.397) 8.850 16.148 ( 3.255 0.282 0.456) 3.299 16.382 ( 1.085 7.144 -2.282) 7.578 16.479 ( -1.591 14.204 0.944) 14.324 16.852 ( -17.097 15.271 -10.535) 25.229 18.487 ( 3.527 -28.084 -0.411) 28.308 18.564 ( -0.041 -36.078 0.421) 36.080 18.670 ( 2.214 -21.734 -10.266) 24.139 18.789 ( -0.868 -27.019 -10.736) 29.087 19.488 ( 2.103 -15.905 18.565) 24.537 19.950 ( -15.706 -13.620 30.790) 37.151 20.632 ( 12.529 -8.234 -1.916) 15.114 21.153 ( -2.238 -5.896 -2.733) 6.873 21.725 ( -6.084 19.454 -0.647) 20.394 21.739 ( -5.924 22.327 -0.817) 23.114 22.014 ( -1.232 24.250 0.423) 24.285 22.035 ( -1.421 17.960 -0.004) 18.016 23.245 ( 2.189 1.156 1.488) 2.888 23.439 ( -0.174 -6.599 -3.545) 7.493 23.813 ( 11.510 -13.885 1.882) 18.133 23.960 ( 3.674 -15.066 -0.968) 15.538 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 18.041 18.116 1.551) 25.614 1.814 ( 13.412 16.409 5.874) 21.992 2.070 ( -17.967 13.699 2.134) 22.694 2.087 ( -9.758 9.421 -1.587) 13.656 2.542 ( 1.252 11.820 -2.746) 12.199 2.563 ( 6.791 3.933 -14.061) 16.103 2.615 ( -3.756 6.349 -7.650) 10.627 2.744 ( -5.841 7.480 -5.346) 10.893 2.843 ( 3.155 12.952 9.344) 16.280 2.889 ( -3.170 9.430 3.707) 10.617 3.065 ( 5.686 10.226 8.242) 14.312 3.167 ( 1.142 6.984 9.312) 11.696 3.268 ( 7.985 14.926 1.405) 16.985 3.468 ( 5.176 4.375 1.641) 6.973 3.574 ( -3.506 7.220 -0.520) 8.043 3.586 ( -9.421 10.871 7.490) 16.218 3.629 ( 2.833 8.298 -2.300) 9.065 3.671 ( -4.516 8.476 -1.954) 9.801 3.954 ( 1.601 5.576 0.892) 5.869 3.994 ( -1.615 3.450 5.218) 6.461 4.426 ( 1.984 7.358 -7.511) 10.700 4.461 ( -2.707 7.461 -5.228) 9.504 4.934 ( 3.114 2.243 -1.596) 4.157 4.986 ( -2.167 1.735 -2.386) 3.661 5.565 ( 3.565 27.119 -0.071) 27.353 5.622 ( -0.213 30.488 -1.352) 30.519 5.685 ( 0.850 22.904 -0.752) 22.932 5.724 ( -0.141 28.600 -0.767) 28.611 5.913 ( 2.361 3.101 -3.956) 5.553 5.937 ( 0.943 8.377 -3.124) 8.990 6.117 ( -1.084 2.248 4.874) 5.476 6.162 ( -4.645 5.226 2.915) 7.575 6.955 ( 5.616 5.602 -0.277) 7.937 7.037 ( -1.225 5.159 -2.365) 5.806 7.118 ( 0.772 1.145 1.594) 2.109 7.145 ( -1.554 0.920 1.991) 2.688 7.549 ( 10.932 2.102 -1.309) 11.209 7.629 ( 4.264 -4.842 -3.527) 7.353 7.681 ( -0.016 -0.484 0.578) 0.754 7.755 ( -8.613 1.470 -0.197) 8.740 8.191 ( 2.720 -1.951 2.364) 4.098 8.346 ( -10.692 -2.626 -1.453) 11.105 9.197 ( 1.259 0.672 -0.750) 1.612 9.219 ( -0.684 -2.002 -0.032) 2.115 9.300 ( 9.161 14.179 -2.722) 17.099 9.456 ( -4.377 3.866 -5.350) 7.920 9.857 ( 6.928 -2.656 0.405) 7.431 9.944 ( -2.633 -1.253 -3.691) 4.704 10.221 ( 0.998 -4.729 7.556) 8.970 10.304 ( -5.691 -0.647 9.174) 10.815 10.643 ( 2.122 0.162 4.800) 5.251 10.731 ( -5.838 -4.345 3.565) 8.104 10.891 ( 3.668 11.170 -1.254) 11.823 10.947 ( -1.586 14.665 -0.086) 14.750 11.384 ( 9.057 1.199 -7.170) 11.614 11.409 ( 5.919 -4.836 -5.601) 9.476 11.511 ( 0.045 -0.967 -1.950) 2.177 11.603 ( -11.672 -2.300 -3.470) 12.392 11.630 ( -3.529 -0.624 -0.328) 3.598 11.734 ( -8.599 -4.354 -0.226) 9.641 12.059 ( 2.436 -26.657 2.124) 26.853 12.098 ( -1.543 -26.506 3.911) 26.837 12.187 ( 5.056 -18.477 1.453) 19.211 12.302 ( -4.867 -11.407 -0.914) 12.435 12.545 ( 6.026 -5.701 4.002) 9.210 12.659 ( -4.845 -6.268 7.042) 10.600 12.836 ( 8.514 8.366 -3.523) 12.445 12.938 ( -2.050 -0.303 0.021) 2.072 13.801 ( 0.949 -0.782 -6.792) 6.902 13.936 ( -11.498 1.961 -4.683) 12.569 14.394 ( 7.038 0.945 -13.348) 15.119 14.511 ( -3.820 -0.384 -9.910) 10.628 15.370 ( 3.170 12.836 0.331) 13.226 15.442 ( -4.271 12.663 0.654) 13.380 15.918 ( 2.254 2.731 6.896) 7.752 15.944 ( -0.174 2.855 7.687) 8.202 16.266 ( 8.545 7.049 -0.208) 11.079 16.416 ( 2.338 7.204 -1.409) 7.704 16.429 ( -4.157 15.122 -0.169) 15.684 16.532 ( -12.487 10.580 -0.863) 16.389 18.541 ( 1.716 -33.352 -0.563) 33.401 18.561 ( -0.435 -35.476 -0.113) 35.479 18.720 ( 2.474 -22.068 -10.571) 24.594 18.763 ( -1.762 -24.596 -10.604) 26.843 19.557 ( 4.946 -14.079 21.029) 25.786 19.698 ( -9.499 -12.555 25.641) 30.088 20.863 ( 10.758 -6.921 -6.241) 14.233 21.055 ( -7.747 -7.621 -5.916) 12.373 21.635 ( -2.122 24.237 -0.232) 24.330 21.646 ( -2.759 23.329 -0.035) 23.491 21.991 ( -0.745 23.412 0.190) 23.424 21.998 ( -1.496 20.989 0.048) 21.042 23.321 ( 4.494 -2.805 1.213) 5.435 23.401 ( -3.185 -5.505 -0.620) 6.390 23.992 ( 5.180 -16.465 -0.962) 17.288 24.023 ( 1.550 -16.065 -1.030) 16.172 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 27.857 -6.255) 28.550 1.933 ( 0.000 26.164 6.468) 26.952 2.315 ( 0.000 10.994 -17.001) 20.246 2.569 ( 0.000 13.197 -11.148) 17.275 2.745 ( 0.000 11.548 0.650) 11.566 2.806 ( 0.000 6.321 2.144) 6.674 3.002 ( 0.000 9.364 6.749) 11.543 3.024 ( 0.000 5.860 10.622) 12.131 3.098 ( 0.000 1.116 2.711) 2.932 3.147 ( 0.000 3.496 4.756) 5.903 3.201 ( 0.000 31.790 16.385) 35.764 3.243 ( 0.000 5.888 -4.010) 7.124 3.422 ( 0.000 4.149 -3.856) 5.665 3.427 ( 0.000 6.631 3.395) 7.449 3.609 ( 0.000 2.793 -12.136) 12.453 3.662 ( 0.000 5.906 3.279) 6.755 3.789 ( 0.000 11.333 -3.336) 11.814 3.937 ( 0.000 10.151 4.586) 11.139 4.041 ( 0.000 8.135 -1.600) 8.291 4.155 ( 0.000 7.229 13.108) 14.969 4.530 ( 0.000 10.073 -8.635) 13.267 4.832 ( 0.000 8.193 -1.805) 8.389 4.907 ( 0.000 6.462 -7.871) 10.184 5.025 ( 0.000 -0.436 -3.713) 3.738 5.698 ( 0.000 2.401 -1.079) 2.632 5.777 ( 0.000 5.734 -4.247) 7.136 5.805 ( 0.000 -0.965 4.071) 4.184 5.937 ( 0.000 5.227 1.379) 5.405 6.354 ( 0.000 33.572 1.772) 33.619 6.378 ( 0.000 26.210 1.241) 26.240 6.637 ( 0.000 26.258 0.090) 26.258 6.664 ( 0.000 22.640 -0.225) 22.641 6.960 ( 0.000 2.556 0.833) 2.688 7.051 ( 0.000 8.012 0.576) 8.032 7.139 ( 0.000 3.683 -0.231) 3.690 7.144 ( 0.000 8.333 0.885) 8.380 7.382 ( 0.000 1.975 -11.295) 11.467 7.431 ( 0.000 9.575 -9.926) 13.792 7.884 ( 0.000 -2.657 8.473) 8.880 7.889 ( 0.000 11.095 3.682) 11.690 8.548 ( 0.000 6.803 4.684) 8.259 8.715 ( 0.000 3.574 -3.126) 4.748 9.017 ( 0.000 -4.588 3.857) 5.994 9.132 ( 0.000 2.007 5.623) 5.971 9.288 ( 0.000 6.658 -3.167) 7.373 9.462 ( 0.000 4.833 -5.051) 6.990 9.544 ( 0.000 2.655 7.669) 8.115 9.978 ( 0.000 4.657 -6.221) 7.771 10.201 ( 0.000 -15.330 -0.134) 15.330 10.243 ( 0.000 -5.244 3.684) 6.409 10.511 ( 0.000 -8.295 1.107) 8.368 10.668 ( 0.000 -10.555 4.509) 11.478 10.791 ( 0.000 -19.492 -3.482) 19.800 10.977 ( 0.000 -25.023 4.833) 25.485 11.133 ( 0.000 -31.557 -3.615) 31.763 11.202 ( 0.000 -1.357 1.940) 2.367 11.231 ( 0.000 -6.959 -10.353) 12.474 11.378 ( 0.000 -1.402 -7.401) 7.533 11.531 ( 0.000 -20.319 8.207) 21.914 11.696 ( 0.000 -2.634 13.869) 14.117 11.893 ( 0.000 4.502 -0.914) 4.594 12.107 ( 0.000 -2.322 8.525) 8.835 12.382 ( 0.000 2.027 -0.232) 2.040 12.431 ( 0.000 8.241 0.808) 8.280 12.439 ( 0.000 12.023 -0.988) 12.063 12.648 ( 0.000 15.886 -4.193) 16.431 12.662 ( 0.000 6.599 8.643) 10.874 13.192 ( 0.000 3.179 5.832) 6.642 13.597 ( 0.000 -6.876 -22.533) 23.559 14.211 ( 0.000 -1.159 2.102) 2.400 14.398 ( 0.000 -3.603 -4.853) 6.044 14.452 ( 0.000 -3.184 -13.290) 13.666 15.526 ( 0.000 8.907 -6.686) 11.137 15.635 ( 0.000 -5.057 -5.397) 7.396 15.891 ( 0.000 4.296 -7.116) 8.312 15.990 ( 0.000 -9.280 -2.414) 9.589 16.063 ( 0.000 9.914 8.799) 13.256 16.532 ( 0.000 8.661 -5.291) 10.149 16.816 ( 0.000 14.111 5.441) 15.124 17.182 ( 0.000 -3.065 -6.485) 7.173 17.913 ( 0.000 -28.020 -0.375) 28.023 18.034 ( 0.000 -16.235 1.071) 16.270 18.105 ( 0.000 -30.005 -11.031) 31.968 18.135 ( 0.000 -34.063 -4.833) 34.404 19.358 ( 0.000 1.467 13.242) 13.323 19.906 ( 0.000 -11.083 38.430) 39.996 20.299 ( 0.000 -5.553 -10.719) 12.072 21.008 ( 0.000 -10.658 -3.434) 11.197 21.994 ( 0.000 5.534 1.091) 5.641 22.151 ( 0.000 11.441 -3.244) 11.892 22.337 ( 0.000 11.727 2.438) 11.978 22.453 ( 0.000 17.813 -1.003) 17.841 23.312 ( 0.000 -4.777 -1.122) 4.907 23.323 ( 0.000 3.688 -0.837) 3.782 23.464 ( 0.000 -9.018 2.995) 9.502 23.604 ( 0.000 -16.156 -0.929) 16.183 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 2.475 24.506 -0.304) 24.632 2.034 ( 6.943 23.921 2.079) 24.995 2.345 ( 1.787 10.968 -13.046) 17.138 2.576 ( 0.132 9.810 -10.510) 14.378 2.640 ( -10.620 11.259 1.102) 15.517 2.796 ( -2.848 6.352 -0.834) 7.011 2.843 ( -6.023 7.439 4.193) 10.450 2.975 ( -3.199 6.646 2.374) 7.748 3.092 ( -1.044 8.690 2.269) 9.042 3.145 ( 1.461 6.990 4.790) 8.598 3.233 ( -2.066 19.928 6.474) 21.055 3.327 ( -2.522 5.002 3.874) 6.811 3.378 ( 7.839 8.067 3.394) 11.750 3.497 ( 3.295 10.323 -1.740) 10.975 3.643 ( 4.929 3.263 -6.219) 8.580 3.722 ( 6.493 8.456 4.259) 11.480 3.834 ( -2.264 10.874 -0.310) 11.111 3.912 ( 0.767 9.567 4.101) 10.437 4.062 ( 1.545 6.057 -0.808) 6.303 4.146 ( -0.999 7.949 11.906) 14.351 4.555 ( 2.161 9.566 -8.537) 13.003 4.769 ( -5.538 11.191 -4.274) 13.197 4.931 ( 2.132 4.518 -5.184) 7.199 5.027 ( 0.036 0.206 -3.892) 3.898 5.732 ( 2.749 0.780 -1.519) 3.236 5.792 ( 1.389 4.186 -3.887) 5.879 5.827 ( 2.082 -1.551 2.899) 3.892 5.930 ( -0.516 4.674 0.689) 4.752 6.354 ( 0.333 32.626 2.343) 32.712 6.413 ( 2.994 27.503 0.524) 27.671 6.580 ( -4.802 25.412 0.502) 25.866 6.635 ( -3.227 26.964 -0.493) 27.161 6.975 ( 3.282 5.594 1.255) 6.606 7.131 ( 2.641 6.157 -0.886) 6.758 7.156 ( 3.835 4.210 0.428) 5.710 7.162 ( 1.383 7.173 1.077) 7.384 7.414 ( 4.385 2.259 -6.493) 8.154 7.505 ( 5.765 5.875 -9.186) 12.334 7.778 ( -5.348 2.867 4.942) 7.826 7.927 ( -1.373 4.665 2.126) 5.307 8.365 ( -11.855 8.014 5.414) 15.299 8.577 ( -11.725 2.563 -0.490) 12.012 9.087 ( 4.865 -2.673 0.221) 5.556 9.214 ( 2.767 1.117 0.556) 3.035 9.343 ( 5.856 4.672 -1.812) 7.707 9.476 ( 2.761 5.244 -0.725) 5.970 9.670 ( 10.756 4.451 4.591) 12.513 9.985 ( -0.332 0.948 -4.732) 4.838 10.164 ( -5.813 -6.779 4.857) 10.165 10.234 ( 2.699 -10.530 2.809) 11.228 10.589 ( 4.785 -7.123 2.842) 9.040 10.639 ( -3.682 -12.128 1.244) 12.736 10.808 ( 3.017 -15.277 -2.721) 15.808 10.994 ( 3.264 -19.136 0.481) 19.419 11.102 ( -2.006 -14.041 -4.691) 14.940 11.205 ( 2.226 -23.209 -1.223) 23.348 11.282 ( 2.161 -10.359 0.557) 10.596 11.433 ( 4.338 0.058 -5.231) 6.796 11.520 ( -1.478 -18.136 6.064) 19.180 11.641 ( -4.024 -4.504 12.258) 13.665 11.873 ( -4.637 2.891 -3.435) 6.455 11.972 ( -7.450 4.190 5.186) 9.998 12.131 ( -16.346 1.864 -0.713) 16.468 12.411 ( -3.141 5.220 -2.085) 6.439 12.513 ( 4.540 9.244 2.257) 10.543 12.683 ( 1.411 5.815 10.516) 12.099 12.851 ( 11.711 11.963 -3.902) 17.190 13.034 ( -8.824 3.660 1.338) 9.646 13.710 ( 6.077 -4.929 -15.847) 17.673 14.090 ( -8.221 -3.525 3.842) 9.736 14.411 ( -0.922 1.944 -18.378) 18.503 14.477 ( 2.223 -4.501 -4.711) 6.884 15.534 ( 0.807 7.460 -5.318) 9.197 15.618 ( -1.357 -2.004 -3.628) 4.361 15.921 ( 2.439 3.593 -6.413) 7.745 15.980 ( -0.109 -4.326 -1.416) 4.553 16.140 ( 6.603 5.441 6.321) 10.637 16.529 ( -0.559 7.778 -4.709) 9.109 16.802 ( -1.217 14.276 4.856) 15.129 17.057 ( -11.060 3.551 -2.843) 11.959 17.908 ( -0.436 -29.099 -0.321) 29.104 17.952 ( -4.054 -24.730 -0.912) 25.077 18.137 ( 1.406 -34.743 -2.448) 34.858 18.178 ( 2.416 -24.807 -8.684) 26.394 19.379 ( 2.166 1.173 14.194) 14.406 19.752 ( -10.557 -6.086 29.305) 31.737 20.463 ( 11.723 -8.559 -6.284) 15.817 20.975 ( -3.387 -10.871 -4.475) 12.234 21.984 ( -0.693 7.857 0.782) 7.926 22.100 ( -4.248 12.748 -2.531) 13.673 22.331 ( -0.317 11.362 2.099) 11.559 22.432 ( -2.064 16.958 -0.780) 17.101 23.285 ( -0.935 2.062 0.044) 2.264 23.314 ( -0.570 -5.428 -0.453) 5.477 23.566 ( 7.199 -10.353 1.176) 12.665 23.647 ( 3.492 -15.751 -0.706) 16.149 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 9.977 16.387 2.481) 19.345 2.190 ( 8.006 19.799 1.104) 21.385 2.263 ( -10.817 9.200 1.425) 14.272 2.384 ( -10.503 15.439 0.295) 18.675 2.645 ( 6.763 5.769 -13.960) 16.550 2.761 ( -0.786 9.005 -5.723) 10.699 2.797 ( -1.224 11.778 -3.174) 12.260 2.868 ( -6.714 6.022 -5.722) 10.681 3.087 ( 0.305 11.006 3.570) 11.575 3.119 ( -3.645 12.138 2.039) 12.837 3.200 ( 3.553 5.148 3.956) 7.402 3.284 ( -4.054 4.565 2.524) 6.606 3.539 ( 7.741 3.112 4.603) 9.529 3.649 ( 8.149 17.165 7.287) 20.351 3.695 ( -2.730 6.237 4.220) 8.010 3.768 ( 1.013 9.343 -3.370) 9.983 3.837 ( 2.868 12.355 2.700) 12.967 3.896 ( -3.417 11.673 3.597) 12.684 4.089 ( 0.950 6.905 3.560) 7.827 4.115 ( -1.770 8.857 8.486) 12.393 4.600 ( 2.190 9.028 -7.682) 12.055 4.658 ( -4.333 11.390 -6.105) 13.630 4.981 ( 2.481 2.886 -4.254) 5.708 5.018 ( -1.097 1.745 -4.148) 4.632 5.784 ( 2.252 -2.596 -1.827) 3.892 5.812 ( -0.123 -2.197 -2.514) 3.341 5.881 ( 2.803 1.745 -0.091) 3.303 5.918 ( -0.901 3.727 -0.734) 3.904 6.381 ( 2.774 31.449 2.636) 31.681 6.469 ( -5.340 29.216 1.532) 29.739 6.481 ( 3.190 28.830 -0.255) 29.007 6.555 ( -4.080 30.206 -0.552) 30.485 7.078 ( 5.787 6.854 1.538) 9.101 7.154 ( -0.787 5.765 0.458) 5.836 7.184 ( 1.226 6.163 1.170) 6.392 7.205 ( 0.002 5.978 0.245) 5.983 7.544 ( 6.771 -2.227 -2.302) 7.490 7.620 ( 3.070 2.332 -3.478) 5.192 7.698 ( -0.129 3.015 0.735) 3.106 7.826 ( -7.747 6.253 -1.149) 10.021 8.230 ( -0.194 6.788 2.772) 7.335 8.342 ( -10.101 3.397 -0.126) 10.658 9.165 ( 2.962 -0.759 -2.222) 3.780 9.212 ( -1.749 0.572 -2.719) 3.283 9.486 ( 6.858 2.747 -0.066) 7.388 9.547 ( 1.979 6.085 -0.390) 6.411 9.845 ( 4.109 0.086 -1.184) 4.277 9.936 ( -4.824 -0.794 -4.591) 6.707 10.139 ( 6.399 -2.998 10.481) 12.641 10.260 ( -1.861 -4.355 8.840) 10.029 10.552 ( -2.601 -10.952 2.730) 11.583 10.581 ( -4.386 -9.479 4.664) 11.438 10.952 ( 8.262 -12.194 -7.075) 16.340 11.044 ( -1.396 -18.960 -6.874) 20.216 11.168 ( 10.178 -7.114 1.364) 12.492 11.263 ( 3.116 -24.992 0.192) 25.186 11.321 ( 1.380 -9.241 4.914) 10.556 11.433 ( -8.170 -8.349 2.814) 12.015 11.499 ( 2.948 -2.458 -1.356) 4.071 11.587 ( -2.854 -13.124 3.691) 13.928 11.677 ( -6.091 -1.789 1.526) 6.529 11.779 ( -12.958 -0.154 3.878) 13.527 12.057 ( 8.319 4.326 -4.310) 10.319 12.268 ( -10.587 5.055 -5.911) 13.137 12.586 ( 3.041 6.179 4.998) 8.509 12.651 ( -3.630 4.215 9.601) 11.096 12.985 ( 4.300 7.172 -1.105) 8.435 13.026 ( 2.353 6.379 -0.893) 6.857 13.790 ( 4.216 -0.847 -8.040) 9.117 13.927 ( -8.325 -2.744 -2.042) 9.000 14.423 ( 2.545 1.485 -15.303) 15.584 14.479 ( -2.022 -2.086 -10.154) 10.562 15.558 ( 1.522 5.030 -2.605) 5.865 15.590 ( -1.502 2.384 -1.713) 3.297 15.967 ( 1.736 1.922 -4.810) 5.463 15.984 ( 0.006 -0.753 -3.361) 3.445 16.307 ( 9.582 3.694 3.801) 10.950 16.478 ( -5.760 4.515 -1.781) 7.532 16.781 ( -0.241 14.636 3.868) 15.140 16.841 ( -7.656 12.506 3.052) 14.977 17.899 ( -0.288 -30.597 -0.201) 30.599 17.904 ( -1.017 -29.854 -0.190) 29.872 18.170 ( 1.700 -31.305 -3.407) 31.536 18.195 ( -0.533 -27.290 -5.735) 27.891 19.446 ( 4.567 0.204 17.066) 17.667 19.567 ( -7.588 -1.903 22.065) 23.410 20.689 ( 10.359 -9.922 -7.104) 16.007 20.868 ( -7.309 -10.736 -6.546) 14.544 21.980 ( 0.647 11.424 0.282) 11.446 22.019 ( -3.234 13.384 -0.810) 13.793 22.337 ( 1.172 12.535 1.027) 12.632 22.379 ( -2.782 14.886 -0.112) 15.144 23.287 ( 0.754 -0.620 0.288) 1.017 23.303 ( -0.677 -3.961 -0.049) 4.018 23.683 ( 3.683 -13.778 0.115) 14.263 23.704 ( 1.397 -15.227 -0.335) 15.295 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 20.681 -4.029) 21.070 2.412 ( 0.000 21.315 3.952) 21.678 2.569 ( 0.000 13.438 -11.241) 17.519 2.762 ( 0.000 5.300 -5.719) 7.797 2.941 ( 0.000 7.102 2.135) 7.416 2.974 ( 0.000 7.871 0.826) 7.914 3.041 ( 0.000 1.015 1.872) 2.130 3.129 ( 0.000 3.296 9.974) 10.505 3.168 ( 0.000 5.016 4.467) 6.717 3.252 ( 0.000 8.273 3.265) 8.894 3.330 ( 0.000 2.187 -6.422) 6.785 3.459 ( 0.000 1.542 -2.129) 2.629 3.539 ( 0.000 4.371 0.574) 4.408 3.628 ( 0.000 1.026 -6.766) 6.844 3.801 ( 0.000 6.709 5.393) 8.608 3.805 ( 0.000 25.415 10.313) 27.428 4.039 ( 0.000 13.354 -0.336) 13.358 4.128 ( 0.000 9.207 3.825) 9.970 4.151 ( 0.000 3.997 0.681) 4.055 4.354 ( 0.000 11.484 11.462) 16.225 4.733 ( 0.000 9.651 -6.690) 11.743 4.999 ( 0.000 1.327 -5.273) 5.437 5.026 ( 0.000 10.173 -6.651) 12.154 5.066 ( 0.000 5.835 -5.766) 8.203 5.736 ( 0.000 2.222 0.967) 2.423 5.779 ( 0.000 -0.308 3.299) 3.314 5.792 ( 0.000 -2.653 -1.349) 2.976 6.040 ( 0.000 5.649 -4.276) 7.085 6.752 ( 0.000 11.763 3.370) 12.236 6.849 ( 0.000 14.405 1.267) 14.461 7.009 ( 0.000 2.582 1.498) 2.985 7.053 ( 0.000 14.659 0.863) 14.685 7.094 ( 0.000 15.949 -0.279) 15.951 7.276 ( 0.000 14.744 0.892) 14.771 7.337 ( 0.000 9.100 0.757) 9.131 7.352 ( 0.000 17.709 0.360) 17.713 7.496 ( 0.000 8.634 -5.022) 9.988 7.643 ( 0.000 11.692 -12.915) 17.421 7.855 ( 0.000 1.625 10.994) 11.114 8.115 ( 0.000 11.290 0.678) 11.310 8.738 ( 0.000 12.084 3.303) 12.527 8.826 ( 0.000 8.597 -4.355) 9.637 9.023 ( 0.000 5.336 5.658) 7.777 9.242 ( 0.000 8.198 6.229) 10.296 9.404 ( 0.000 6.034 -4.697) 7.646 9.555 ( 0.000 3.918 -6.840) 7.883 9.652 ( 0.000 0.935 6.951) 7.013 9.809 ( 0.000 -17.130 0.904) 17.154 9.990 ( 0.000 -4.818 0.365) 4.832 10.164 ( 0.000 -36.336 -4.163) 36.574 10.269 ( 0.000 7.183 -1.579) 7.355 10.272 ( 0.000 -20.932 -5.481) 21.638 10.341 ( 0.000 -39.900 -1.974) 39.949 10.409 ( 0.000 -5.567 2.805) 6.234 10.609 ( 0.000 -11.734 8.823) 14.680 11.067 ( 0.000 -5.735 -0.579) 5.764 11.221 ( 0.000 0.430 1.869) 1.918 11.263 ( 0.000 -6.168 11.541) 13.086 11.507 ( 0.000 3.490 -15.225) 15.620 11.700 ( 0.000 2.347 15.902) 16.074 11.878 ( 0.000 -4.951 -0.742) 5.007 12.259 ( 0.000 12.981 3.860) 13.542 12.436 ( 0.000 2.459 2.317) 3.379 12.491 ( 0.000 0.490 4.036) 4.065 12.551 ( 0.000 2.217 0.841) 2.371 12.949 ( 0.000 13.311 -5.071) 14.245 12.991 ( 0.000 19.495 3.890) 19.879 13.296 ( 0.000 6.842 3.795) 7.824 13.470 ( 0.000 -4.509 -13.848) 14.564 14.196 ( 0.000 0.070 1.593) 1.595 14.265 ( 0.000 -8.386 4.123) 9.344 14.382 ( 0.000 -4.321 -14.813) 15.430 15.451 ( 0.000 -12.535 -2.328) 12.749 15.638 ( 0.000 4.442 -4.746) 6.500 15.751 ( 0.000 -15.168 -1.558) 15.248 16.042 ( 0.000 8.319 -19.887) 21.557 16.171 ( 0.000 -3.517 -2.343) 4.225 16.657 ( 0.000 3.196 -9.279) 9.814 16.867 ( 0.000 -27.994 -7.457) 28.970 16.968 ( 0.000 -1.244 -1.042) 1.623 17.460 ( 0.000 -24.064 16.137) 28.974 17.517 ( 0.000 -9.022 3.106) 9.541 17.749 ( 0.000 -8.548 0.264) 8.552 17.817 ( 0.000 -5.666 0.896) 5.736 19.432 ( 0.000 5.093 7.774) 9.293 19.780 ( 0.000 -2.269 26.141) 26.239 20.179 ( 0.000 -6.363 -9.841) 11.719 20.772 ( 0.000 -12.682 -4.558) 13.476 22.064 ( 0.000 2.025 1.232) 2.370 22.271 ( 0.000 1.639 -5.862) 6.087 22.491 ( 0.000 3.411 5.586) 6.545 22.714 ( 0.000 7.489 -1.843) 7.713 23.201 ( 0.000 -5.673 1.593) 5.892 23.302 ( 0.000 -12.091 -0.721) 12.112 23.357 ( 0.000 -1.873 0.297) 1.896 23.386 ( 0.000 1.719 -0.583) 1.815 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -2.158 20.225 0.048) 20.340 2.464 ( 3.382 18.537 0.999) 18.870 2.569 ( -2.020 9.784 -6.236) 11.777 2.723 ( -2.638 5.172 -7.158) 9.216 2.815 ( -8.500 7.578 3.676) 11.966 2.946 ( 0.264 8.382 1.135) 8.462 3.016 ( -0.726 8.031 -2.051) 8.320 3.100 ( -3.270 6.130 0.405) 6.959 3.233 ( 0.840 6.676 2.621) 7.222 3.289 ( 3.423 6.927 5.897) 9.720 3.346 ( -1.030 0.560 -0.612) 1.322 3.455 ( 2.292 1.677 -0.754) 2.939 3.511 ( -5.571 9.081 -4.299) 11.488 3.659 ( 7.613 0.765 -2.905) 8.184 3.858 ( 5.304 6.659 8.055) 11.720 3.904 ( 5.854 17.424 7.943) 20.024 4.068 ( -1.990 11.541 -0.455) 11.720 4.096 ( 1.880 10.248 5.900) 11.973 4.153 ( 0.751 5.018 1.468) 5.282 4.356 ( -0.606 11.854 9.272) 15.062 4.724 ( -0.294 6.782 -6.679) 9.524 4.994 ( -3.343 9.318 -6.387) 11.782 5.027 ( 1.571 4.818 -5.927) 7.798 5.065 ( 0.813 5.410 -5.687) 7.892 5.736 ( -0.102 0.243 0.684) 0.733 5.762 ( -0.959 -1.384 1.708) 2.398 5.834 ( 3.425 -0.254 -0.489) 3.469 6.017 ( -1.977 4.468 -3.772) 6.172 6.779 ( 1.785 12.038 3.147) 12.570 6.863 ( 2.975 14.045 0.661) 14.371 7.007 ( -3.801 16.182 2.823) 16.860 7.063 ( 4.134 6.975 3.243) 8.732 7.161 ( 5.219 15.927 -1.556) 16.832 7.307 ( 2.844 10.184 -0.732) 10.599 7.331 ( -0.257 15.114 -0.163) 15.117 7.376 ( 1.225 13.661 0.945) 13.749 7.492 ( -0.138 6.440 -4.263) 7.724 7.671 ( 2.214 9.672 -8.798) 13.261 7.806 ( -3.593 3.224 7.543) 8.955 8.094 ( -2.479 10.548 0.109) 10.836 8.610 ( -9.012 15.948 3.725) 18.693 8.702 ( -9.406 11.100 0.045) 14.549 9.098 ( 4.911 3.914 -0.118) 6.281 9.287 ( 1.285 5.932 1.170) 6.181 9.410 ( 2.301 3.392 -1.148) 4.257 9.569 ( 2.186 1.400 -1.691) 3.098 9.766 ( 4.305 -14.551 -1.348) 15.235 9.811 ( 2.658 -1.245 2.947) 4.159 9.989 ( 0.567 -4.827 4.162) 6.399 10.151 ( -2.112 -25.671 -5.056) 26.249 10.189 ( -0.643 -15.084 -0.918) 15.126 10.321 ( -1.145 -33.152 -0.989) 33.186 10.369 ( 4.227 -12.084 -2.282) 13.003 10.501 ( 6.838 -7.345 2.416) 10.322 10.725 ( 10.819 -10.451 4.526) 15.709 11.041 ( -0.410 -3.253 1.040) 3.440 11.242 ( 1.591 -2.481 2.640) 3.957 11.286 ( 1.888 -3.161 8.950) 9.678 11.495 ( -2.348 1.301 -9.223) 9.606 11.663 ( -2.653 3.207 11.106) 11.860 11.825 ( -6.718 -3.761 0.400) 7.710 12.117 ( -9.158 4.957 -0.080) 10.414 12.220 ( -16.069 6.678 0.043) 17.401 12.490 ( -2.832 2.009 -1.459) 3.766 12.611 ( 4.629 2.968 6.448) 8.474 12.953 ( -4.687 16.258 6.726) 18.208 13.061 ( 6.845 8.599 -3.681) 11.591 13.161 ( -4.650 9.405 -0.750) 10.518 13.621 ( 8.367 -3.243 -7.977) 12.007 14.027 ( -9.493 -2.772 3.924) 10.640 14.384 ( 4.874 -4.231 -1.965) 6.747 14.402 ( 1.853 -2.392 -14.158) 14.478 15.463 ( 1.335 -11.460 -1.330) 11.614 15.614 ( -2.019 -2.301 -1.528) 3.421 15.817 ( 5.748 -7.316 -6.713) 11.473 16.047 ( 0.140 7.105 -19.854) 21.087 16.217 ( 4.568 -4.197 -1.661) 6.422 16.629 ( -3.066 -0.522 -9.263) 9.771 16.868 ( 0.212 -21.824 -6.540) 22.784 16.953 ( -1.407 -1.718 -1.539) 2.702 17.419 ( -2.172 -18.305 13.612) 22.915 17.575 ( 1.903 -12.175 4.591) 13.150 17.633 ( -6.192 -7.408 6.353) 11.558 17.833 ( -0.751 -9.708 0.312) 9.742 19.448 ( 1.633 4.899 8.591) 10.024 19.698 ( -6.143 0.185 20.270) 21.181 20.293 ( 9.087 -8.464 -7.030) 14.270 20.739 ( -3.317 -12.567 -5.177) 13.991 22.079 ( 1.446 2.499 1.098) 3.089 22.250 ( -2.151 3.067 -4.673) 5.989 22.472 ( -1.020 2.626 4.751) 5.524 22.666 ( -4.343 5.795 -1.482) 7.392 23.212 ( 1.451 -3.877 1.171) 4.302 23.312 ( -0.639 -2.295 -1.527) 2.829 23.379 ( 3.499 -8.197 1.139) 8.985 23.427 ( 2.668 -3.410 -0.395) 4.348 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 1.907 14.954 2.426) 15.269 2.430 ( -7.419 7.615 2.861) 11.010 2.557 ( 4.974 16.467 0.389) 17.206 2.670 ( -5.789 13.034 1.181) 14.311 2.780 ( 5.832 7.096 -10.713) 14.111 2.913 ( -5.491 5.491 -5.908) 9.758 3.001 ( 0.694 7.845 -1.284) 7.980 3.035 ( -2.331 11.269 -2.147) 11.706 3.256 ( 1.680 5.275 1.101) 5.645 3.299 ( -2.408 5.012 1.069) 5.662 3.339 ( 1.952 8.840 2.509) 9.395 3.391 ( -3.676 7.311 -2.756) 8.634 3.592 ( 7.376 2.776 6.020) 9.918 3.718 ( -3.368 0.359 5.011) 6.049 3.934 ( 3.098 8.604 0.133) 9.146 3.994 ( -1.135 10.748 -0.357) 10.814 4.079 ( 6.447 8.377 3.774) 11.225 4.135 ( 1.120 14.045 7.009) 15.736 4.203 ( 3.337 5.060 6.768) 9.086 4.301 ( -5.102 8.477 7.154) 12.210 4.756 ( 4.218 6.964 -6.423) 10.370 4.880 ( -7.006 10.406 -6.158) 13.975 5.067 ( 1.757 5.444 -6.484) 8.647 5.083 ( 0.282 5.798 -5.905) 8.280 5.735 ( 0.103 -1.603 0.856) 1.820 5.744 ( -0.799 -1.908 1.286) 2.436 5.910 ( 3.662 0.934 -2.027) 4.289 5.972 ( -2.543 2.314 -3.045) 4.593 6.821 ( 3.114 13.413 3.217) 14.141 6.905 ( -4.549 15.238 3.294) 16.240 6.987 ( 6.912 15.930 0.198) 17.365 7.102 ( -2.374 16.961 0.810) 17.146 7.264 ( 4.823 15.033 -0.251) 15.789 7.326 ( -0.842 12.959 0.146) 12.987 7.360 ( 1.923 9.326 -0.460) 9.533 7.385 ( -0.242 13.861 0.779) 13.885 7.516 ( 3.374 -0.168 -0.940) 3.506 7.626 ( -6.333 0.019 4.191) 7.594 7.844 ( 7.219 10.701 -4.447) 13.653 8.000 ( -6.983 10.579 -1.607) 12.777 8.484 ( -2.204 18.143 2.628) 18.464 8.531 ( -6.390 16.008 1.301) 17.285 9.188 ( 4.019 3.123 -3.385) 6.113 9.259 ( -2.969 3.998 -4.019) 6.399 9.515 ( 6.965 1.075 4.635) 8.435 9.612 ( -0.078 -0.739 0.955) 1.210 9.758 ( -1.355 -15.938 -2.059) 16.128 9.783 ( -4.523 -9.428 0.670) 10.478 10.104 ( 6.116 -8.883 -1.016) 10.832 10.140 ( 0.821 -16.474 -4.070) 16.989 10.212 ( 2.383 -19.962 -0.374) 20.107 10.287 ( -3.185 -17.862 0.411) 18.148 10.449 ( 5.387 -15.232 4.235) 16.703 10.557 ( -2.818 -10.196 6.424) 12.376 10.998 ( 14.621 -7.590 1.586) 16.550 11.142 ( 7.750 -0.595 1.001) 7.837 11.263 ( -0.326 -1.150 -0.522) 1.304 11.308 ( 0.319 -1.774 5.551) 5.836 11.434 ( -1.149 -1.178 0.136) 1.651 11.568 ( -12.106 2.607 0.932) 12.418 11.638 ( -1.913 -1.133 4.586) 5.096 11.805 ( -16.846 0.925 2.332) 17.032 12.164 ( 7.145 3.587 -5.243) 9.561 12.354 ( -9.780 1.640 -5.930) 11.554 12.706 ( 5.050 6.485 7.737) 11.288 12.822 ( -6.647 10.701 8.654) 15.284 13.141 ( 2.793 8.379 0.421) 8.843 13.169 ( 0.851 8.302 -0.781) 8.382 13.754 ( 5.403 -2.328 -4.216) 7.238 13.866 ( -6.433 -2.468 0.920) 6.951 14.433 ( 1.449 -0.609 -12.048) 12.150 14.443 ( 0.787 -1.390 -8.182) 8.336 15.505 ( 2.748 -9.523 0.338) 9.917 15.564 ( -2.867 -7.030 0.545) 7.611 15.944 ( 5.966 -0.247 -13.827) 15.061 16.029 ( -2.352 4.094 -18.266) 18.866 16.348 ( 8.242 -5.435 -2.402) 10.161 16.520 ( -7.814 -5.405 -6.810) 11.690 16.882 ( 1.284 -10.032 -4.531) 11.082 16.917 ( -1.985 -3.719 -2.777) 5.048 17.399 ( 0.528 -14.516 13.645) 19.930 17.458 ( -5.694 -9.209 11.833) 16.039 17.690 ( 5.006 -13.684 3.943) 15.095 17.783 ( -3.913 -12.306 1.818) 13.041 19.498 ( 3.335 4.261 10.833) 12.109 19.582 ( -5.062 2.860 14.536) 15.656 20.482 ( 9.004 -10.684 -6.685) 15.489 20.639 ( -6.555 -11.984 -6.316) 15.049 22.122 ( 2.807 3.630 0.532) 4.620 22.188 ( -3.617 4.359 -1.379) 5.829 22.484 ( 2.515 2.303 1.847) 3.879 22.565 ( -5.096 3.540 -0.346) 6.214 23.252 ( 2.154 -1.100 0.210) 2.428 23.289 ( -1.493 0.312 -0.714) 1.685 23.448 ( 2.514 -9.760 0.543) 10.093 23.465 ( 0.747 -7.709 0.053) 7.745 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 1.904 -1.432) 2.383 2.703 ( 0.000 5.796 -3.594) 6.820 2.825 ( 0.000 7.801 -1.696) 7.983 2.848 ( 0.000 14.605 -2.648) 14.843 3.015 ( 0.000 2.557 6.067) 6.584 3.050 ( 0.000 1.055 0.623) 1.225 3.144 ( 0.000 2.870 8.827) 9.282 3.195 ( 0.000 4.754 -3.449) 5.874 3.258 ( 0.000 6.983 1.324) 7.108 3.398 ( 0.000 5.187 -1.278) 5.342 3.427 ( 0.000 7.982 3.537) 8.731 3.481 ( 0.000 -0.015 -4.647) 4.647 3.601 ( 0.000 2.014 0.661) 2.120 3.676 ( 0.000 2.790 -2.562) 3.788 3.888 ( 0.000 2.228 6.896) 7.247 4.095 ( 0.000 3.983 -1.286) 4.185 4.257 ( 0.000 7.196 1.054) 7.272 4.316 ( 0.000 10.521 -0.303) 10.525 4.366 ( 0.000 17.240 10.031) 19.946 4.578 ( 0.000 10.523 8.129) 13.298 4.900 ( 0.000 7.115 -4.390) 8.361 5.025 ( 0.000 1.881 -4.519) 4.895 5.187 ( 0.000 5.552 -5.615) 7.896 5.194 ( 0.000 6.213 -6.775) 9.192 5.737 ( 0.000 -1.733 0.128) 1.738 5.772 ( 0.000 1.724 -0.073) 1.726 5.851 ( 0.000 6.977 2.435) 7.390 6.144 ( 0.000 4.143 -5.198) 6.647 6.914 ( 0.000 6.212 4.564) 7.708 7.015 ( 0.000 4.486 1.139) 4.628 7.052 ( 0.000 2.117 1.120) 2.395 7.284 ( 0.000 9.183 0.164) 9.185 7.347 ( 0.000 11.590 -1.869) 11.740 7.414 ( 0.000 -0.052 9.453) 9.453 7.517 ( 0.000 8.184 1.543) 8.328 7.687 ( 0.000 12.010 -1.863) 12.154 7.707 ( 0.000 12.213 -3.037) 12.585 7.878 ( 0.000 10.787 -14.135) 17.781 7.977 ( 0.000 8.477 5.750) 10.243 8.323 ( 0.000 9.073 -0.643) 9.095 8.996 ( 0.000 7.937 -1.660) 8.108 9.034 ( 0.000 9.214 -2.619) 9.579 9.150 ( 0.000 2.253 5.070) 5.548 9.332 ( 0.000 -13.816 0.928) 13.848 9.337 ( 0.000 -28.852 2.793) 28.987 9.424 ( 0.000 -5.993 -4.377) 7.422 9.452 ( 0.000 8.053 0.441) 8.065 9.497 ( 0.000 -19.879 -6.591) 20.943 9.777 ( 0.000 0.824 -3.446) 3.543 9.835 ( 0.000 -2.866 -3.572) 4.580 9.967 ( 0.000 0.801 6.493) 6.542 10.056 ( 0.000 1.010 -1.714) 1.990 10.328 ( 0.000 -2.107 7.565) 7.853 10.456 ( 0.000 -2.765 9.770) 10.154 10.475 ( 0.000 11.191 -3.186) 11.636 10.938 ( 0.000 -8.048 -2.446) 8.412 11.177 ( 0.000 -1.307 12.513) 12.581 11.251 ( 0.000 0.336 -6.595) 6.604 11.488 ( 0.000 -4.081 -12.448) 13.100 11.758 ( 0.000 -7.587 -0.895) 7.640 11.763 ( 0.000 2.797 17.431) 17.654 12.442 ( 0.000 -8.893 -1.036) 8.953 12.480 ( 0.000 4.569 11.102) 12.005 12.523 ( 0.000 7.782 1.016) 7.848 12.574 ( 0.000 6.740 0.571) 6.764 13.166 ( 0.000 9.051 -6.941) 11.406 13.340 ( 0.000 14.886 3.746) 15.350 13.456 ( 0.000 9.421 1.033) 9.478 13.476 ( 0.000 5.340 -1.798) 5.635 14.083 ( 0.000 -9.394 7.499) 12.020 14.224 ( 0.000 2.920 1.094) 3.118 14.280 ( 0.000 -5.917 -8.973) 10.748 15.165 ( 0.000 -15.521 -0.382) 15.526 15.383 ( 0.000 -21.141 1.849) 21.222 15.724 ( 0.000 -2.364 0.659) 2.454 15.808 ( 0.000 -28.285 0.395) 28.287 16.007 ( 0.000 -16.070 -27.669) 31.997 16.435 ( 0.000 -2.150 -20.649) 20.761 16.663 ( 0.000 -2.355 -15.618) 15.794 16.818 ( 0.000 -9.394 -11.408) 14.778 17.283 ( 0.000 3.172 24.181) 24.389 17.506 ( 0.000 3.422 9.466) 10.066 17.689 ( 0.000 0.262 9.598) 9.602 17.774 ( 0.000 0.064 2.298) 2.299 19.544 ( 0.000 5.980 4.257) 7.341 19.792 ( 0.000 3.052 15.554) 15.851 20.049 ( 0.000 -6.670 -7.401) 9.963 20.515 ( 0.000 -12.880 -4.237) 13.559 22.091 ( 0.000 1.037 1.056) 1.480 22.260 ( 0.000 -1.826 -4.905) 5.234 22.479 ( 0.000 -3.591 5.598) 6.651 22.712 ( 0.000 -6.867 -1.902) 7.126 23.131 ( 0.000 -1.282 0.570) 1.403 23.164 ( 0.000 -1.695 -0.276) 1.717 23.348 ( 0.000 0.321 0.762) 0.826 23.407 ( 0.000 0.243 -0.682) 0.724 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -3.491 1.822 0.166) 3.941 2.714 ( -4.073 10.453 1.382) 11.303 2.778 ( 1.479 10.831 -3.586) 11.505 2.872 ( 0.854 9.112 -4.141) 10.046 2.954 ( -2.885 6.901 1.575) 7.643 3.074 ( -3.700 -0.104 0.313) 3.715 3.106 ( 1.605 6.392 2.577) 7.076 3.245 ( 0.321 7.405 0.293) 7.418 3.313 ( 6.099 -0.538 3.997) 7.311 3.372 ( -2.552 6.142 0.483) 6.668 3.438 ( 0.091 3.649 -1.108) 3.815 3.480 ( 1.223 3.396 -1.064) 3.763 3.645 ( 1.390 1.142 0.052) 1.800 3.687 ( 3.548 4.712 -1.904) 6.198 3.904 ( 1.810 -0.299 7.607) 7.824 4.113 ( 1.315 3.096 1.545) 3.701 4.228 ( -2.473 7.814 0.605) 8.218 4.314 ( 0.573 10.386 -0.230) 10.404 4.387 ( 1.144 13.767 9.148) 16.569 4.578 ( -2.515 9.352 7.136) 12.029 4.842 ( -1.111 6.786 -4.463) 8.198 5.099 ( 4.568 4.923 -5.222) 8.507 5.162 ( -2.052 5.647 -5.703) 8.284 5.205 ( 0.667 6.734 -6.620) 9.467 5.724 ( -0.454 0.178 0.656) 0.818 5.818 ( 0.916 3.100 -0.605) 3.288 5.838 ( 1.290 3.317 1.459) 3.846 6.100 ( -3.830 3.473 -4.595) 6.917 6.943 ( 2.386 6.285 4.734) 8.223 7.023 ( 3.388 4.613 1.061) 5.821 7.137 ( 5.443 2.345 3.689) 6.981 7.266 ( -3.690 10.516 1.507) 11.246 7.371 ( 1.879 2.345 1.180) 3.229 7.413 ( 4.189 6.792 1.527) 8.124 7.571 ( 2.389 5.759 2.276) 6.638 7.654 ( -2.777 12.752 -4.829) 13.916 7.706 ( -0.219 12.554 -0.190) 12.558 7.876 ( -2.120 10.248 -6.504) 12.322 7.974 ( 2.003 11.307 -0.225) 11.486 8.300 ( -2.457 9.221 -1.361) 9.639 8.934 ( -4.075 12.751 -0.344) 13.391 9.004 ( -3.724 16.941 1.304) 17.394 9.156 ( 1.299 -6.602 0.478) 6.746 9.335 ( -0.805 -16.933 0.837) 16.972 9.343 ( 1.193 -14.862 3.039) 15.216 9.386 ( -2.666 -21.259 -1.080) 21.452 9.460 ( 1.289 -1.153 -7.476) 7.673 9.540 ( 2.247 -6.457 -3.070) 7.495 9.680 ( -3.443 -4.907 -2.823) 6.626 9.862 ( -4.832 -2.858 4.714) 7.330 10.018 ( 5.235 -2.322 -6.288) 8.504 10.135 ( 8.493 5.877 3.275) 10.835 10.348 ( 1.579 1.134 4.343) 4.758 10.476 ( 2.611 1.354 8.696) 9.180 10.621 ( 11.739 2.081 0.162) 11.923 10.962 ( 3.932 -5.724 -1.571) 7.120 11.212 ( 2.887 0.422 6.488) 7.114 11.257 ( 1.046 -1.946 -2.004) 2.983 11.462 ( -3.462 -3.855 -8.001) 9.533 11.709 ( -4.352 1.529 14.358) 15.081 11.739 ( -2.043 -6.487 -1.828) 7.043 12.233 ( -17.339 8.225 1.951) 19.290 12.340 ( -12.717 4.316 0.145) 13.431 12.417 ( -4.454 -9.035 -1.760) 10.226 12.706 ( 6.800 6.787 7.624) 12.265 13.194 ( -2.323 8.446 0.400) 8.769 13.264 ( -2.536 11.501 2.227) 11.987 13.377 ( -1.857 11.369 0.308) 11.523 13.621 ( 7.262 3.919 -0.689) 8.280 13.965 ( -7.208 -3.549 5.827) 9.925 14.331 ( 5.275 -3.486 -6.072) 8.766 14.335 ( 5.320 -1.248 -3.656) 6.574 15.181 ( 1.625 -16.000 0.811) 16.102 15.354 ( -2.540 -19.907 2.735) 20.254 15.786 ( 4.384 -12.178 -3.067) 13.302 15.853 ( 4.710 -24.011 4.707) 24.917 16.009 ( 0.837 -11.884 -30.319) 32.576 16.404 ( -3.247 -1.426 -21.552) 21.842 16.683 ( 1.773 -3.276 -14.706) 15.171 16.806 ( -1.216 -8.724 -11.453) 14.448 17.296 ( 1.372 3.692 23.740) 24.065 17.529 ( 2.226 2.756 8.617) 9.317 17.611 ( -6.754 1.969 12.709) 14.526 17.751 ( -2.409 -0.407 2.797) 3.714 19.559 ( 1.451 6.016 4.893) 7.890 19.743 ( -3.778 4.134 11.973) 13.217 20.127 ( 6.524 -8.159 -5.399) 11.760 20.485 ( -2.944 -12.681 -4.511) 13.778 22.109 ( 1.728 0.981 0.990) 2.220 22.262 ( -0.273 -1.010 -4.530) 4.649 22.450 ( -1.954 -3.859 5.188) 6.754 22.651 ( -5.268 -6.186 -1.464) 8.256 23.172 ( 3.474 -0.638 0.470) 3.563 23.212 ( 4.050 -2.600 -0.573) 4.847 23.343 ( -0.587 -0.066 0.899) 1.076 23.400 ( -0.781 -0.490 -0.566) 1.082 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.295 6.675 2.184) 7.030 2.612 ( -4.481 11.899 2.043) 12.878 2.837 ( 3.170 10.964 -0.817) 11.442 2.887 ( -0.880 6.345 -3.234) 7.176 2.914 ( 0.754 8.743 -1.465) 8.897 2.984 ( -4.737 2.245 -3.191) 6.137 3.153 ( 3.253 6.583 0.361) 7.352 3.225 ( -3.099 7.471 -1.129) 8.167 3.339 ( 0.358 2.612 0.213) 2.645 3.361 ( -0.900 2.637 0.031) 2.786 3.474 ( 2.782 1.354 2.761) 4.147 3.501 ( 0.160 4.712 0.850) 4.791 3.675 ( 2.786 4.335 2.194) 5.601 3.733 ( -1.381 2.802 3.561) 4.737 3.991 ( 6.708 -2.981 0.441) 7.354 4.107 ( -3.742 -0.497 -0.627) 3.827 4.230 ( 5.543 9.827 4.374) 12.101 4.343 ( 1.204 7.902 3.267) 8.635 4.388 ( -1.104 10.272 6.660) 12.292 4.429 ( -9.623 5.749 6.825) 13.123 4.926 ( 7.455 10.433 -4.811) 13.696 5.071 ( -6.035 8.790 -5.882) 12.178 5.189 ( 2.888 6.189 -6.028) 9.109 5.216 ( 0.067 6.377 -6.641) 9.207 5.729 ( 1.131 1.583 1.524) 2.472 5.772 ( -2.906 4.056 1.971) 5.365 5.923 ( 4.645 0.343 -2.718) 5.392 6.013 ( -4.485 1.744 -3.608) 6.014 7.009 ( 4.457 7.209 5.178) 9.933 7.117 ( -5.691 7.339 6.088) 11.104 7.150 ( 7.685 4.212 0.900) 8.810 7.256 ( -0.274 3.620 2.013) 4.151 7.426 ( 3.431 -1.568 -1.260) 3.977 7.490 ( 0.219 1.914 0.707) 2.052 7.577 ( 0.572 9.003 -0.109) 9.021 7.610 ( -1.350 14.441 -3.305) 14.876 7.711 ( 1.480 14.167 0.672) 14.260 7.786 ( -5.359 13.628 1.514) 14.722 8.079 ( 7.087 11.536 -5.358) 14.560 8.217 ( -5.916 10.064 -3.325) 12.139 8.882 ( -0.414 19.027 1.701) 19.107 8.920 ( -3.757 20.484 3.017) 21.043 9.206 ( 3.493 -9.927 -1.752) 10.668 9.282 ( -3.713 -9.200 -2.623) 10.261 9.356 ( 0.395 -20.951 -1.204) 20.990 9.370 ( -0.454 -26.862 1.757) 26.923 9.498 ( 3.126 -4.278 -4.900) 7.217 9.557 ( -1.341 -4.154 -3.241) 5.437 9.660 ( 1.631 -5.238 0.113) 5.487 9.740 ( -5.851 -2.704 4.649) 7.948 10.125 ( 6.099 -2.380 -6.574) 9.278 10.234 ( -2.631 -1.673 -5.555) 6.370 10.418 ( 6.531 5.997 10.774) 13.954 10.503 ( -1.054 2.458 10.350) 10.690 10.892 ( 14.075 -2.790 0.919) 14.378 11.085 ( 0.753 -5.298 -0.866) 5.421 11.266 ( 3.886 -0.637 -3.615) 5.346 11.302 ( 3.959 0.035 2.593) 4.732 11.411 ( 2.027 -1.604 -0.272) 2.599 11.610 ( -12.444 -0.208 -2.083) 12.619 11.638 ( 0.489 1.633 9.998) 10.142 11.849 ( -18.560 5.302 2.522) 19.467 12.192 ( 0.768 -0.091 -4.360) 4.428 12.296 ( -7.082 -7.348 -5.305) 11.501 12.849 ( 8.002 7.854 10.424) 15.309 13.030 ( -9.739 10.158 10.110) 17.328 13.305 ( 2.808 7.463 -0.228) 7.977 13.349 ( -1.559 8.781 1.016) 8.976 13.745 ( 5.186 2.539 0.488) 5.795 13.843 ( -5.084 0.507 2.938) 5.893 14.411 ( 2.643 -1.673 -8.252) 8.825 14.419 ( 2.012 -0.548 -4.961) 5.382 15.228 ( 2.960 -17.277 2.794) 17.750 15.293 ( -3.363 -18.592 3.471) 19.209 15.861 ( 3.243 -23.539 -5.375) 24.362 15.908 ( -0.842 -26.316 -1.062) 26.351 16.111 ( 9.371 0.286 -25.523) 27.191 16.295 ( -7.715 -0.201 -22.579) 23.862 16.726 ( 2.381 -5.105 -13.068) 14.230 16.772 ( -2.079 -7.069 -11.890) 13.988 17.346 ( 3.841 4.636 22.394) 23.189 17.457 ( -7.159 4.458 18.730) 20.541 17.597 ( 3.988 0.889 6.497) 7.675 17.682 ( -4.152 -0.213 4.222) 5.925 19.602 ( 2.772 5.984 6.435) 9.214 19.667 ( -3.654 5.474 8.638) 10.860 20.270 ( 7.147 -10.442 -5.009) 13.609 20.399 ( -5.536 -11.951 -4.956) 14.073 22.159 ( 3.198 0.858 0.524) 3.352 22.227 ( -3.138 0.474 -1.501) 3.511 22.450 ( 2.508 -4.713 2.011) 5.705 22.536 ( -5.536 -5.273 -0.423) 7.658 23.245 ( 3.364 -0.100 0.151) 3.369 23.282 ( 1.155 -0.906 -1.213) 1.904 23.332 ( 0.668 -2.314 1.328) 2.750 23.373 ( -1.984 -2.220 -0.145) 2.980 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 -3.023 0.648) 3.091 2.683 ( 0.000 -5.186 -3.786) 6.421 3.018 ( 0.000 7.394 -0.288) 7.399 3.025 ( 0.000 2.531 7.297) 7.724 3.067 ( 0.000 2.941 4.154) 5.090 3.112 ( 0.000 6.468 -3.426) 7.319 3.228 ( 0.000 2.677 0.979) 2.850 3.234 ( 0.000 0.832 -3.764) 3.854 3.418 ( 0.000 7.765 2.183) 8.065 3.484 ( 0.000 1.993 -2.734) 3.384 3.506 ( 0.000 4.596 0.184) 4.599 3.542 ( 0.000 3.137 2.209) 3.837 3.620 ( 0.000 -0.165 1.239) 1.250 3.675 ( 0.000 -3.354 2.501) 4.184 3.935 ( 0.000 3.133 1.931) 3.680 4.085 ( 0.000 -3.356 -2.492) 4.180 4.415 ( 0.000 7.529 1.473) 7.672 4.479 ( 0.000 5.421 0.163) 5.423 4.654 ( 0.000 10.640 8.153) 13.405 4.747 ( 0.000 5.640 6.669) 8.734 5.018 ( 0.000 4.687 -4.482) 6.485 5.067 ( 0.000 1.864 -4.769) 5.120 5.275 ( 0.000 3.122 -4.864) 5.780 5.280 ( 0.000 2.764 -4.689) 5.443 5.742 ( 0.000 1.969 0.571) 2.050 5.805 ( 0.000 0.915 -1.051) 1.393 6.008 ( 0.000 7.872 0.080) 7.872 6.187 ( 0.000 -0.032 -4.085) 4.085 7.041 ( 0.000 5.259 1.543) 5.481 7.067 ( 0.000 1.273 0.882) 1.549 7.126 ( 0.000 7.724 2.810) 8.219 7.357 ( 0.000 2.947 10.020) 10.444 7.524 ( 0.000 8.305 -1.407) 8.423 7.529 ( 0.000 3.804 -1.448) 4.070 7.637 ( 0.000 5.259 0.440) 5.277 7.755 ( 0.000 -6.482 -4.432) 7.853 7.924 ( 0.000 8.018 -5.541) 9.746 7.993 ( 0.000 -1.178 -10.883) 10.946 8.113 ( 0.000 4.787 3.572) 5.973 8.390 ( 0.000 -7.133 -6.346) 9.548 8.735 ( 0.000 -6.132 5.772) 8.421 8.872 ( 0.000 -12.654 1.222) 12.713 8.996 ( 0.000 -10.113 -4.863) 11.222 9.090 ( 0.000 -11.377 -2.543) 11.658 9.378 ( 0.000 13.691 -0.093) 13.691 9.405 ( 0.000 5.877 3.121) 6.654 9.490 ( 0.000 5.892 2.853) 6.546 9.663 ( 0.000 8.584 -3.748) 9.366 9.774 ( 0.000 0.637 -4.823) 4.865 9.847 ( 0.000 1.674 -0.316) 1.703 10.028 ( 0.000 2.470 0.505) 2.521 10.052 ( 0.000 -3.835 3.164) 4.972 10.421 ( 0.000 9.116 5.717) 10.760 10.512 ( 0.000 8.551 5.587) 10.215 10.640 ( 0.000 1.219 -5.005) 5.151 10.783 ( 0.000 -3.621 0.075) 3.622 11.183 ( 0.000 2.345 7.772) 8.118 11.260 ( 0.000 0.792 -6.409) 6.458 11.363 ( 0.000 -8.360 -9.411) 12.588 11.582 ( 0.000 -9.619 0.058) 9.619 11.797 ( 0.000 1.562 14.141) 14.227 12.133 ( 0.000 -17.096 3.922) 17.540 12.603 ( 0.000 5.536 5.649) 7.910 12.662 ( 0.000 3.671 -0.333) 3.686 12.782 ( 0.000 14.970 8.001) 16.974 13.284 ( 0.000 0.203 -3.964) 3.970 13.569 ( 0.000 8.649 4.175) 9.604 13.638 ( 0.000 8.158 3.744) 8.976 13.684 ( 0.000 12.722 -0.924) 12.756 13.944 ( 0.000 -1.645 5.308) 5.557 14.155 ( 0.000 -5.867 -1.402) 6.033 14.299 ( 0.000 3.120 -0.032) 3.120 14.869 ( 0.000 -12.580 1.670) 12.690 14.971 ( 0.000 -17.352 5.394) 18.171 15.191 ( 0.000 -27.952 3.450) 28.164 15.269 ( 0.000 -28.591 5.674) 29.148 16.069 ( 0.000 12.151 -27.264) 29.849 16.526 ( 0.000 5.986 -25.009) 25.715 16.541 ( 0.000 -9.584 -22.373) 24.340 16.693 ( 0.000 -3.497 -16.490) 16.856 17.415 ( 0.000 7.482 20.187) 21.529 17.558 ( 0.000 1.002 12.554) 12.594 17.718 ( 0.000 2.184 10.402) 10.629 17.780 ( 0.000 -0.082 4.622) 4.623 19.666 ( 0.000 6.155 1.743) 6.397 19.891 ( 0.000 6.709 7.782) 10.275 19.917 ( 0.000 -6.544 -4.062) 7.702 20.268 ( 0.000 -11.728 -2.039) 11.904 22.116 ( 0.000 1.663 0.874) 1.879 22.216 ( 0.000 -2.548 -2.015) 3.248 22.405 ( 0.000 -2.446 2.570) 3.548 22.541 ( 0.000 -8.436 -1.200) 8.521 23.131 ( 0.000 0.848 0.359) 0.921 23.160 ( 0.000 0.053 -0.367) 0.370 23.360 ( 0.000 0.797 0.630) 1.016 23.399 ( 0.000 -0.863 -0.346) 0.930 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.753 0.818 1.029) 2.191 2.758 ( 5.534 -4.257 -4.601) 8.362 2.958 ( -4.914 6.116 2.366) 8.194 3.027 ( 0.467 5.998 0.912) 6.084 3.066 ( -1.568 1.151 2.726) 3.349 3.121 ( 0.355 7.703 -1.550) 7.865 3.195 ( 0.433 2.114 0.452) 2.204 3.310 ( 4.182 -0.533 0.336) 4.229 3.379 ( -1.620 6.005 1.888) 6.500 3.432 ( -4.509 2.474 -2.839) 5.875 3.502 ( -2.557 2.219 1.140) 3.572 3.563 ( 0.573 2.182 1.604) 2.768 3.635 ( 3.505 -0.232 2.797) 4.491 3.732 ( 5.065 -1.222 0.361) 5.223 3.920 ( -1.518 2.821 2.249) 3.914 4.083 ( -0.689 -4.303 -1.626) 4.651 4.400 ( -0.813 7.987 1.338) 8.139 4.474 ( -0.253 5.196 0.186) 5.205 4.605 ( -3.350 8.104 8.175) 11.989 4.700 ( -6.406 3.118 6.309) 9.516 5.018 ( 4.211 9.377 -4.325) 11.151 5.176 ( 6.343 1.947 -5.224) 8.445 5.260 ( -0.824 4.265 -4.650) 6.363 5.301 ( 1.059 2.890 -5.237) 6.074 5.753 ( 0.940 2.420 0.512) 2.646 5.830 ( 2.791 -0.198 -1.608) 3.227 5.975 ( -3.226 7.368 0.307) 8.049 6.140 ( -4.421 0.134 -3.799) 5.830 7.075 ( 3.352 5.511 2.631) 6.966 7.102 ( 3.580 5.115 1.625) 6.451 7.186 ( 5.052 3.761 1.512) 6.477 7.350 ( -1.435 1.380 7.814) 8.064 7.431 ( -4.403 5.082 1.316) 6.852 7.568 ( -0.485 3.727 -2.409) 4.464 7.679 ( 3.798 6.343 -0.336) 7.401 7.766 ( 1.183 -5.306 -3.882) 6.680 7.913 ( -0.812 7.659 -5.654) 9.555 8.002 ( 0.319 2.508 -8.154) 8.537 8.136 ( 2.591 3.361 1.884) 4.643 8.372 ( -1.861 -5.857 -6.030) 8.609 8.759 ( 2.298 -6.615 5.489) 8.898 8.874 ( 0.058 -12.498 1.887) 12.640 9.004 ( 0.861 -10.090 -4.388) 11.036 9.085 ( -0.521 -11.710 -2.664) 12.021 9.334 ( -3.044 11.223 1.541) 11.730 9.367 ( -3.878 12.656 3.912) 13.803 9.505 ( 1.249 3.114 0.817) 3.453 9.655 ( -1.408 4.418 -2.366) 5.206 9.734 ( -1.410 7.126 -2.297) 7.619 9.842 ( -2.805 1.748 2.471) 4.126 9.986 ( 1.485 -2.214 -4.415) 5.158 10.150 ( 3.631 -4.532 -1.473) 5.991 10.491 ( 5.963 10.678 5.592) 13.448 10.540 ( 2.853 7.586 5.413) 9.746 10.728 ( 7.884 2.707 -2.882) 8.820 10.828 ( 4.930 -4.910 -0.804) 7.005 11.205 ( 0.781 -1.411 0.465) 1.678 11.246 ( 0.690 1.822 0.473) 2.005 11.361 ( -1.171 -6.757 -6.887) 9.718 11.560 ( -1.555 -10.034 -0.307) 10.159 11.744 ( -4.096 2.692 13.129) 14.014 12.112 ( -1.889 -16.141 2.298) 16.413 12.422 ( -18.281 8.359 0.090) 20.102 12.461 ( -13.090 4.467 0.312) 13.835 12.875 ( 6.218 10.959 11.248) 16.890 13.305 ( 1.729 -0.193 -0.331) 1.771 13.458 ( -8.524 8.299 6.278) 13.451 13.571 ( -5.196 6.329 2.860) 8.674 13.770 ( 5.719 10.168 1.058) 11.714 13.947 ( -0.102 5.088 4.673) 6.909 14.228 ( 6.477 -6.294 -3.858) 9.821 14.361 ( 4.327 1.174 -1.436) 4.708 14.873 ( 0.388 -12.776 2.862) 13.099 14.952 ( -1.670 -16.882 5.948) 17.977 15.223 ( 2.831 -27.262 2.559) 27.528 15.292 ( 1.819 -28.464 4.201) 28.830 16.120 ( 5.005 11.607 -26.725) 29.564 16.498 ( -2.846 6.029 -25.294) 26.158 16.560 ( 1.756 -8.851 -21.746) 23.543 16.683 ( -1.036 -3.923 -16.945) 17.424 17.429 ( 1.444 7.388 19.761) 21.146 17.574 ( 1.577 0.775 11.761) 11.891 17.669 ( -4.462 3.365 12.115) 13.342 17.754 ( -2.470 -0.182 5.297) 5.847 19.684 ( 1.783 6.507 2.198) 7.096 19.853 ( -2.478 6.409 4.751) 8.354 19.973 ( 4.181 -6.922 -1.678) 8.259 20.242 ( -2.549 -11.569 -2.209) 12.050 22.132 ( 1.580 1.615 0.818) 2.403 22.230 ( 1.267 -2.090 -2.295) 3.353 22.371 ( -2.893 -2.686 2.777) 4.827 22.497 ( -3.911 -7.730 -1.014) 8.722 23.170 ( 3.367 0.480 0.326) 3.416 23.197 ( 3.269 -0.253 -0.357) 3.298 23.349 ( -1.171 0.601 0.622) 1.456 23.386 ( -1.350 -0.944 -0.319) 1.678 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 5.980 6.107 1.065) 8.614 2.813 ( -4.834 7.524 0.118) 8.944 2.896 ( 3.375 -1.472 -4.098) 5.509 2.985 ( -4.238 0.153 -2.303) 4.826 3.066 ( 1.718 7.912 1.756) 8.284 3.106 ( -1.851 9.017 1.508) 9.328 3.241 ( 3.750 1.572 0.373) 4.083 3.331 ( -4.881 1.710 -2.301) 5.661 3.365 ( 1.451 2.183 1.180) 2.874 3.393 ( 0.544 0.335 2.870) 2.941 3.460 ( 0.788 -1.370 2.184) 2.696 3.524 ( -3.402 -2.287 2.747) 4.935 3.742 ( 5.669 3.511 1.443) 6.823 3.826 ( -0.304 4.024 -0.604) 4.080 3.905 ( 3.958 -3.709 1.355) 5.591 4.028 ( -5.219 -5.628 -1.308) 7.786 4.417 ( 3.139 7.968 3.433) 9.227 4.483 ( 0.728 5.318 2.513) 5.926 4.533 ( -4.519 5.009 7.068) 9.771 4.553 ( -5.278 5.017 4.686) 8.659 5.134 ( 5.937 9.392 -4.949) 12.163 5.226 ( -2.988 6.638 -5.155) 8.920 5.280 ( 3.589 2.391 -5.898) 7.306 5.313 ( -0.068 2.989 -5.712) 6.447 5.789 ( 3.228 4.060 0.927) 5.269 5.879 ( -4.326 5.644 -0.031) 7.112 5.920 ( 4.274 -0.598 -1.620) 4.609 6.031 ( -5.887 -0.310 -3.033) 6.630 7.151 ( 4.238 7.193 4.486) 9.478 7.216 ( 5.754 3.533 0.958) 6.820 7.241 ( -1.936 5.380 5.178) 7.714 7.311 ( -0.912 2.144 -0.347) 2.356 7.394 ( 1.584 0.247 2.913) 3.325 7.493 ( -5.954 0.823 -1.016) 6.096 7.771 ( 3.551 3.732 -3.329) 6.134 7.789 ( 0.789 -3.082 -4.238) 5.299 7.913 ( 1.640 8.897 -2.546) 9.398 7.976 ( -3.097 8.100 -2.087) 8.919 8.219 ( 5.103 0.319 -2.941) 5.898 8.314 ( -3.967 -2.844 -5.114) 7.069 8.817 ( 3.039 -8.596 4.636) 10.228 8.864 ( -1.380 -11.338 3.336) 11.899 9.031 ( 1.752 -10.578 -3.334) 11.229 9.066 ( -1.454 -11.944 -2.807) 12.355 9.284 ( -1.481 12.770 2.687) 13.134 9.292 ( -2.528 15.105 3.479) 15.705 9.538 ( 2.406 1.270 1.210) 2.978 9.602 ( -3.493 0.680 1.216) 3.761 9.737 ( 1.264 9.047 -2.234) 9.404 9.777 ( -2.710 6.818 -0.044) 7.337 10.058 ( 4.786 -4.791 -6.425) 9.335 10.149 ( -3.311 -6.406 -5.281) 8.938 10.596 ( 3.378 10.458 5.883) 12.465 10.611 ( 2.606 7.986 5.337) 9.952 10.884 ( 6.962 0.467 -0.796) 7.023 10.953 ( 3.104 -7.430 -2.909) 8.562 11.215 ( 1.822 -2.676 -0.586) 3.290 11.266 ( -0.871 -2.561 1.496) 3.091 11.368 ( 4.444 -3.929 -0.514) 5.954 11.505 ( -5.505 -9.111 -0.912) 10.684 11.733 ( 6.266 7.346 7.959) 12.513 12.010 ( -17.925 7.666 0.464) 19.501 12.094 ( -1.348 -9.601 -0.016) 9.695 12.192 ( -10.806 -0.755 -2.241) 11.062 13.029 ( 9.219 10.450 12.394) 18.650 13.232 ( -10.345 10.092 10.009) 17.579 13.383 ( 3.095 -1.106 3.333) 4.681 13.467 ( -4.894 1.891 3.809) 6.484 13.872 ( 4.147 9.996 1.459) 10.920 13.931 ( -1.734 9.652 2.290) 10.070 14.358 ( 5.339 -5.255 -4.868) 8.934 14.413 ( 0.110 -2.053 -4.006) 4.503 14.887 ( 1.029 -13.386 5.010) 14.329 14.915 ( -1.788 -15.028 6.187) 16.350 15.283 ( 2.691 -26.786 1.482) 26.962 15.314 ( -0.141 -27.560 1.983) 27.631 16.256 ( 7.916 9.525 -25.972) 28.774 16.406 ( -6.353 7.183 -25.733) 27.461 16.605 ( 2.503 -7.287 -20.101) 21.527 16.652 ( -2.045 -5.281 -18.260) 19.118 17.476 ( 3.396 6.937 18.390) 19.946 17.565 ( -5.277 5.572 15.658) 17.438 17.621 ( 3.049 0.239 9.679) 10.151 17.690 ( -3.618 -0.163 7.183) 8.044 19.733 ( 2.988 7.208 3.187) 8.428 19.796 ( -3.134 7.485 4.152) 9.115 20.070 ( 5.210 -9.553 -2.356) 11.134 20.170 ( -4.505 -10.959 -2.479) 12.106 22.178 ( 2.941 1.493 0.466) 3.331 22.236 ( -1.895 0.863 -1.373) 2.494 22.339 ( 1.313 -5.524 1.678) 5.921 22.407 ( -4.520 -6.635 -0.406) 8.038 23.244 ( 3.656 0.287 0.289) 3.678 23.271 ( 3.445 -0.450 -0.511) 3.512 23.313 ( -2.090 -0.053 0.710) 2.208 23.345 ( -2.751 -1.108 -0.208) 2.974 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.000 -2.476 -0.314) 2.496 2.594 ( 0.000 2.476 -0.314) 2.496 3.057 ( 0.000 -0.677 4.794) 4.841 3.057 ( 0.000 0.677 4.794) 4.841 3.155 ( 0.000 -2.617 -0.334) 2.638 3.155 ( 0.000 2.617 -0.334) 2.638 3.242 ( 0.000 -0.090 -5.022) 5.023 3.242 ( 0.000 0.090 -5.022) 5.023 3.542 ( 0.000 -1.597 2.527) 2.989 3.542 ( 0.000 1.597 2.527) 2.989 3.559 ( 0.000 -3.692 0.832) 3.785 3.559 ( 0.000 3.693 0.832) 3.785 3.595 ( 0.000 -0.938 2.604) 2.768 3.595 ( 0.000 0.938 2.604) 2.768 4.006 ( 0.000 -3.901 -1.713) 4.260 4.006 ( 0.000 3.901 -1.713) 4.260 4.516 ( 0.000 -1.894 1.013) 2.148 4.516 ( 0.000 1.894 1.013) 2.148 4.782 ( 0.000 -2.262 6.899) 7.260 4.782 ( 0.000 2.262 6.899) 7.260 5.079 ( 0.000 -1.167 -5.049) 5.182 5.079 ( 0.000 1.167 -5.049) 5.182 5.307 ( 0.000 -0.111 -4.239) 4.240 5.307 ( 0.000 0.111 -4.239) 4.240 5.791 ( 0.000 -2.194 -0.126) 2.198 5.791 ( 0.000 2.194 -0.126) 2.198 6.138 ( 0.000 -4.808 -2.241) 5.305 6.138 ( 0.000 4.808 -2.241) 5.305 7.078 ( 0.000 -0.108 0.702) 0.711 7.078 ( 0.000 0.108 0.702) 0.711 7.417 ( 0.000 -18.563 0.702) 18.577 7.417 ( 0.000 18.564 0.702) 18.577 7.488 ( 0.000 -8.067 2.607) 8.478 7.488 ( 0.000 8.067 2.607) 8.478 7.667 ( 0.000 -5.903 -4.023) 7.143 7.667 ( 0.000 5.903 -4.023) 7.144 7.962 ( 0.000 -2.126 -2.171) 3.039 7.962 ( 0.000 2.127 -2.171) 3.039 8.223 ( 0.000 -6.729 -2.217) 7.085 8.223 ( 0.000 6.730 -2.217) 7.085 8.804 ( 0.000 -7.759 -1.805) 7.966 8.804 ( 0.000 7.759 -1.805) 7.966 8.881 ( 0.000 -8.743 -0.506) 8.758 8.881 ( 0.000 8.744 -0.506) 8.758 9.505 ( 0.000 -2.023 2.332) 3.087 9.505 ( 0.000 2.023 2.332) 3.087 9.624 ( 0.000 -7.721 -0.774) 7.759 9.624 ( 0.000 7.721 -0.774) 7.759 9.881 ( 0.000 -1.212 -3.439) 3.647 9.881 ( 0.000 1.213 -3.439) 3.647 10.002 ( 0.000 -2.375 1.405) 2.759 10.002 ( 0.000 2.375 1.405) 2.759 10.554 ( 0.000 -5.158 0.029) 5.158 10.554 ( 0.000 5.158 0.029) 5.158 10.726 ( 0.000 -8.285 2.136) 8.556 10.726 ( 0.000 8.285 2.136) 8.556 11.234 ( 0.000 -2.692 -6.908) 7.414 11.234 ( 0.000 2.692 -6.908) 7.414 11.365 ( 0.000 -10.970 2.665) 11.289 11.365 ( 0.000 10.970 2.665) 11.289 11.877 ( 0.000 -7.672 10.499) 13.004 11.877 ( 0.000 7.672 10.499) 13.004 12.676 ( 0.000 -1.750 1.046) 2.039 12.676 ( 0.000 1.751 1.046) 2.039 13.112 ( 0.000 -15.568 6.715) 16.955 13.112 ( 0.000 15.568 6.715) 16.955 13.688 ( 0.000 -2.564 4.704) 5.357 13.688 ( 0.000 2.564 4.704) 5.357 13.914 ( 0.000 -8.546 -3.180) 9.119 13.914 ( 0.000 8.546 -3.180) 9.119 14.206 ( 0.000 -11.830 1.964) 11.992 14.206 ( 0.000 11.830 1.964) 11.992 14.828 ( 0.000 -7.645 4.522) 8.882 14.828 ( 0.000 7.645 4.522) 8.883 14.841 ( 0.000 -10.254 6.192) 11.979 14.841 ( 0.000 10.254 6.192) 11.979 16.320 ( 0.000 -12.224 -25.564) 28.336 16.320 ( 0.000 12.224 -25.564) 28.336 16.626 ( 0.000 -3.956 -21.872) 22.227 16.626 ( 0.000 3.956 -21.872) 22.227 17.532 ( 0.000 -3.748 16.049) 16.481 17.532 ( 0.000 3.749 16.049) 16.481 17.761 ( 0.000 -1.778 7.669) 7.873 17.761 ( 0.000 1.779 7.669) 7.873 19.789 ( 0.000 -6.276 -0.825) 6.330 19.789 ( 0.000 6.276 -0.825) 6.330 20.054 ( 0.000 -9.599 2.003) 9.805 20.054 ( 0.000 9.599 2.003) 9.805 22.161 ( 0.000 -2.741 0.337) 2.762 22.161 ( 0.000 2.741 0.337) 2.762 22.416 ( 0.000 -3.637 -0.208) 3.643 22.416 ( 0.000 3.637 -0.208) 3.643 23.151 ( 0.000 -0.911 -0.010) 0.911 23.151 ( 0.000 0.911 -0.010) 0.911 23.379 ( 0.000 -1.068 0.161) 1.080 23.379 ( 0.000 1.068 0.161) 1.080 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 5.880 -4.447 -0.791) 7.415 2.657 ( 5.880 4.447 -0.791) 7.415 3.034 ( -2.718 -2.123 3.222) 4.719 3.034 ( -2.718 2.123 3.222) 4.719 3.153 ( 0.780 -3.426 -0.867) 3.619 3.153 ( 0.780 3.426 -0.867) 3.619 3.263 ( 1.394 -3.936 -2.609) 4.924 3.263 ( 1.394 3.937 -2.609) 4.924 3.480 ( -3.717 -3.460 2.735) 5.768 3.480 ( -3.717 3.460 2.735) 5.768 3.519 ( -3.502 -4.445 1.125) 5.769 3.519 ( -3.502 4.445 1.125) 5.769 3.680 ( 5.965 -3.252 1.875) 7.048 3.680 ( 5.965 3.252 1.875) 7.048 3.993 ( -1.620 -4.179 -1.283) 4.662 3.993 ( -1.620 4.180 -1.283) 4.662 4.506 ( -0.495 -2.103 0.954) 2.361 4.506 ( -0.495 2.103 0.954) 2.361 4.709 ( -5.712 -2.308 6.784) 9.164 4.709 ( -5.712 2.308 6.784) 9.164 5.158 ( 6.065 -4.022 -5.340) 9.026 5.158 ( 6.065 4.022 -5.340) 9.026 5.318 ( 0.808 -1.205 -4.292) 4.531 5.318 ( 0.808 1.205 -4.292) 4.531 5.805 ( 1.657 -2.311 -0.271) 2.857 5.805 ( 1.657 2.311 -0.271) 2.857 6.097 ( -4.008 -4.422 -2.006) 6.297 6.097 ( -4.008 4.422 -2.006) 6.297 7.131 ( 4.812 -1.670 0.544) 5.123 7.131 ( 4.812 1.670 0.544) 5.123 7.410 ( -2.132 -10.211 0.807) 10.463 7.410 ( -2.132 10.211 0.807) 10.463 7.466 ( 0.244 -10.115 2.294) 10.374 7.466 ( 0.244 10.115 2.294) 10.375 7.676 ( -0.454 -6.897 -4.360) 8.172 7.676 ( -0.454 6.897 -4.360) 8.172 8.000 ( 3.892 -5.157 -1.561) 6.647 8.000 ( 3.892 5.158 -1.561) 6.647 8.219 ( -0.608 -6.806 -1.855) 7.080 8.219 ( -0.608 6.806 -1.855) 7.080 8.817 ( 1.227 -7.330 -1.238) 7.535 8.817 ( 1.227 7.330 -1.238) 7.535 8.880 ( -0.171 -8.305 -0.306) 8.313 8.880 ( -0.171 8.305 -0.306) 8.313 9.493 ( -0.989 -4.516 2.752) 5.381 9.493 ( -0.989 4.517 2.752) 5.381 9.592 ( -2.982 -8.186 1.213) 8.796 9.592 ( -2.982 8.186 1.213) 8.796 9.883 ( 0.798 -4.658 -3.910) 6.134 9.883 ( 0.798 4.658 -3.910) 6.134 10.003 ( -0.288 -8.917 -1.352) 9.023 10.003 ( -0.288 8.917 -1.352) 9.023 10.645 ( 7.831 -6.132 -0.586) 9.963 10.645 ( 7.831 6.132 -0.586) 9.964 10.755 ( 2.602 -8.731 2.045) 9.338 10.755 ( 2.602 8.731 2.045) 9.338 11.223 ( -0.724 -4.570 -5.345) 7.070 11.223 ( -0.724 4.570 -5.345) 7.070 11.360 ( -0.756 -9.259 2.590) 9.644 11.360 ( -0.756 9.259 2.590) 9.644 11.853 ( -1.334 -8.877 9.405) 13.001 11.853 ( -1.334 8.878 9.405) 13.002 12.508 ( -15.378 -0.477 -1.218) 15.433 12.508 ( -15.378 0.477 -1.218) 15.433 13.142 ( 3.388 -13.818 9.407) 17.056 13.142 ( 3.388 13.818 9.407) 17.056 13.589 ( -7.906 -3.813 5.088) 10.145 13.589 ( -7.906 3.813 5.088) 10.145 14.000 ( 6.501 -11.028 -1.740) 12.919 14.000 ( 6.501 11.028 -1.740) 12.919 14.225 ( 0.942 -13.370 1.014) 13.442 14.225 ( 0.942 13.370 1.014) 13.442 14.846 ( 1.776 -9.645 4.145) 10.647 14.846 ( 1.776 9.645 4.145) 10.647 14.864 ( 1.886 -11.249 5.264) 12.562 14.864 ( 1.886 11.250 5.264) 12.562 16.355 ( 3.339 -11.316 -25.104) 27.738 16.355 ( 3.339 11.316 -25.104) 27.738 16.605 ( -2.094 -4.440 -22.189) 22.725 16.605 ( -2.094 4.440 -22.189) 22.725 17.545 ( 1.342 -3.786 15.412) 15.927 17.545 ( 1.342 3.786 15.412) 15.927 17.729 ( -2.954 -2.320 8.655) 9.434 17.729 ( -2.954 2.320 8.655) 9.434 19.817 ( 2.660 -6.794 -0.583) 7.319 19.817 ( 2.660 6.794 -0.583) 7.319 20.031 ( -2.265 -9.417 1.703) 9.834 20.031 ( -2.265 9.417 1.703) 9.834 22.177 ( 1.649 -2.836 0.285) 3.293 22.177 ( 1.649 2.836 0.285) 3.293 22.379 ( -3.298 -3.545 -0.157) 4.844 22.379 ( -3.298 3.545 -0.157) 4.844 23.185 ( 3.071 -0.850 0.010) 3.186 23.185 ( 3.071 0.850 0.010) 3.186 23.365 ( -1.373 -1.029 0.148) 1.722 23.365 ( -1.373 1.029 0.148) 1.722 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 7.891 -5.321 -1.516) 9.637 2.803 ( 7.891 5.321 -1.516) 9.638 2.945 ( -5.948 -3.889 -0.395) 7.117 2.945 ( -5.948 3.889 -0.395) 7.118 3.199 ( 3.507 -4.829 0.916) 6.038 3.199 ( 3.507 4.830 0.916) 6.038 3.266 ( -1.960 -6.257 0.211) 6.560 3.266 ( -1.960 6.257 0.211) 6.560 3.422 ( -1.047 -2.255 1.992) 3.186 3.422 ( -1.047 2.255 1.992) 3.186 3.448 ( -2.952 -4.497 1.959) 5.724 3.448 ( -2.952 4.497 1.959) 5.725 3.810 ( 6.643 -3.256 0.520) 7.416 3.810 ( 6.643 3.256 0.520) 7.416 3.929 ( -4.804 -4.046 -0.577) 6.307 3.929 ( -4.804 4.046 -0.577) 6.307 4.520 ( 2.205 -1.855 2.649) 3.914 4.520 ( 2.205 1.855 2.649) 3.914 4.595 ( -5.104 -0.787 5.556) 7.586 4.595 ( -5.104 0.787 5.556) 7.586 5.269 ( 4.334 -3.683 -5.779) 8.108 5.269 ( 4.334 3.683 -5.779) 8.108 5.321 ( -0.958 -2.358 -4.972) 5.585 5.321 ( -0.958 2.358 -4.972) 5.585 5.870 ( 4.959 -3.503 -0.594) 6.101 5.870 ( 4.959 3.503 -0.594) 6.101 5.989 ( -6.282 -3.969 -1.320) 7.547 5.989 ( -6.282 3.969 -1.320) 7.547 7.240 ( 5.365 -2.078 0.958) 5.833 7.240 ( 5.365 2.078 0.958) 5.833 7.336 ( -4.337 -2.686 1.723) 5.384 7.336 ( -4.337 2.686 1.723) 5.384 7.523 ( 4.659 -13.462 -0.618) 14.259 7.523 ( 4.659 13.462 -0.618) 14.259 7.623 ( -4.551 -10.412 -3.528) 11.898 7.623 ( -4.551 10.412 -3.528) 11.898 8.101 ( 5.330 -7.242 -1.035) 9.052 8.101 ( 5.330 7.242 -1.035) 9.052 8.186 ( -2.890 -7.101 -1.227) 7.764 8.186 ( -2.890 7.101 -1.227) 7.764 8.847 ( 1.565 -6.850 -0.255) 7.032 8.847 ( 1.565 6.851 -0.255) 7.032 8.871 ( -0.785 -7.334 0.012) 7.376 8.871 ( -0.785 7.334 0.012) 7.376 9.484 ( 0.561 -6.455 3.379) 7.308 9.484 ( 0.561 6.455 3.379) 7.308 9.523 ( -3.231 -7.817 3.256) 9.064 9.523 ( -3.231 7.817 3.256) 9.064 9.922 ( 2.882 -8.049 -5.046) 9.927 9.922 ( 2.882 8.049 -5.046) 9.928 9.978 ( -2.239 -10.184 -4.247) 11.259 9.978 ( -2.239 10.184 -4.247) 11.259 10.785 ( 4.382 -8.828 -1.112) 9.918 10.785 ( 4.382 8.828 -1.112) 9.918 10.810 ( 1.777 -8.910 0.407) 9.095 10.810 ( 1.777 8.910 0.407) 9.095 11.240 ( 3.214 -5.047 -0.473) 6.002 11.240 ( 3.214 5.047 -0.473) 6.002 11.321 ( -3.436 -6.838 2.764) 8.136 11.321 ( -3.436 6.838 2.764) 8.136 11.892 ( 7.029 -8.429 4.544) 11.878 11.892 ( 7.029 8.429 4.544) 11.879 12.152 ( -17.604 -3.999 -0.671) 18.065 12.152 ( -17.604 3.999 -0.671) 18.065 13.250 ( 7.141 -10.412 9.859) 16.019 13.250 ( 7.141 10.412 9.859) 16.019 13.415 ( -8.939 -6.645 7.606) 13.488 13.415 ( -8.939 6.645 7.606) 13.488 14.127 ( 5.630 -13.469 -0.688) 14.614 14.127 ( 5.630 13.469 -0.688) 14.614 14.212 ( -2.566 -14.430 -0.038) 14.656 14.212 ( -2.566 14.430 -0.038) 14.657 14.885 ( 1.590 -12.242 3.416) 12.809 14.885 ( 1.590 12.242 3.416) 12.809 14.895 ( 0.732 -12.754 3.865) 13.347 14.895 ( 0.732 12.755 3.865) 13.347 16.443 ( 5.094 -8.869 -24.064) 26.147 16.443 ( 5.094 8.869 -24.064) 26.147 16.541 ( -4.263 -6.126 -23.000) 24.181 16.541 ( -4.263 6.126 -23.000) 24.181 17.587 ( 2.871 -3.760 13.611) 14.410 17.587 ( 2.871 3.760 13.611) 14.410 17.656 ( -3.882 -3.281 11.045) 12.159 17.656 ( -3.882 3.281 11.045) 12.159 19.887 ( 4.060 -7.876 0.079) 8.861 19.887 ( 4.060 7.876 0.079) 8.861 19.968 ( -3.822 -8.842 0.950) 9.680 19.968 ( -3.822 8.842 0.950) 9.680 22.226 ( 3.187 -3.074 0.149) 4.430 22.226 ( 3.187 3.074 0.149) 4.430 22.301 ( -4.111 -3.339 -0.021) 5.296 22.301 ( -4.111 3.339 -0.021) 5.296 23.257 ( 3.731 -0.842 0.058) 3.825 23.257 ( 3.731 0.842 0.058) 3.825 23.324 ( -2.776 -0.935 0.110) 2.932 23.324 ( -2.776 0.935 0.110) 2.932 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 0.000 27.516) 27.516 1.293 ( 0.000 0.000 31.327) 31.327 1.554 ( 0.000 0.000 -23.423) 23.423 1.820 ( 0.000 0.000 -25.626) 25.626 1.929 ( 0.000 0.000 43.389) 43.389 2.520 ( 0.000 0.000 -12.401) 12.401 2.574 ( 0.000 0.000 9.247) 9.247 2.733 ( 0.000 0.000 6.934) 6.934 2.763 ( 0.000 0.000 -19.047) 19.047 2.786 ( 0.000 0.000 7.110) 7.110 2.845 ( 0.000 0.000 -3.609) 3.609 2.948 ( 0.000 0.000 -9.604) 9.604 3.022 ( 0.000 0.000 3.356) 3.356 3.100 ( 0.000 0.000 -3.958) 3.958 3.245 ( 0.000 0.000 2.082) 2.082 3.277 ( 0.000 0.000 -1.360) 1.360 3.399 ( 0.000 0.000 11.419) 11.419 3.636 ( 0.000 0.000 -13.088) 13.088 3.909 ( 0.000 0.000 8.362) 8.362 4.077 ( 0.000 0.000 -8.841) 8.841 4.417 ( 0.000 0.000 11.199) 11.199 4.635 ( 0.000 0.000 -10.932) 10.932 4.635 ( 0.000 0.000 0.330) 0.330 4.649 ( 0.000 0.000 -0.849) 0.849 4.880 ( 0.000 0.000 2.250) 2.250 4.884 ( 0.000 0.000 5.967) 5.967 4.922 ( 0.000 0.000 -2.093) 2.093 5.002 ( 0.000 0.000 -6.183) 6.183 5.662 ( 0.000 0.000 0.990) 0.990 5.711 ( 0.000 0.000 -3.853) 3.853 6.275 ( 0.000 0.000 3.758) 3.758 6.344 ( 0.000 0.000 -3.285) 3.285 6.875 ( 0.000 0.000 4.155) 4.155 6.959 ( 0.000 0.000 -4.807) 4.807 7.080 ( 0.000 0.000 3.677) 3.677 7.145 ( 0.000 0.000 -3.248) 3.248 7.259 ( 0.000 0.000 4.930) 4.930 7.393 ( 0.000 0.000 -9.416) 9.416 7.849 ( 0.000 0.000 13.753) 13.753 8.034 ( 0.000 0.000 -4.739) 4.739 8.482 ( 0.000 0.000 0.535) 0.535 8.489 ( 0.000 0.000 -0.215) 0.215 8.549 ( 0.000 0.000 1.225) 1.225 8.586 ( 0.000 0.000 -3.582) 3.582 9.600 ( 0.000 0.000 9.535) 9.535 9.750 ( 0.000 0.000 -6.168) 6.168 9.904 ( 0.000 0.000 0.710) 0.710 9.926 ( 0.000 0.000 -1.551) 1.551 10.388 ( 0.000 0.000 3.313) 3.313 10.454 ( 0.000 0.000 -3.292) 3.292 10.609 ( 0.000 0.000 5.877) 5.877 10.648 ( 0.000 0.000 -1.759) 1.759 10.666 ( 0.000 0.000 -4.008) 4.008 10.697 ( 0.000 0.000 -3.612) 3.612 11.283 ( 0.000 0.000 13.697) 13.697 11.320 ( 0.000 0.000 6.238) 6.238 11.462 ( 0.000 0.000 -8.841) 8.841 11.552 ( 0.000 0.000 -14.651) 14.651 11.581 ( 0.000 0.000 5.593) 5.593 11.709 ( 0.000 0.000 -7.974) 7.974 12.088 ( 0.000 0.000 1.908) 1.908 12.111 ( 0.000 0.000 -0.327) 0.327 12.343 ( 0.000 0.000 0.784) 0.784 12.344 ( 0.000 0.000 0.817) 0.817 12.832 ( 0.000 0.000 14.065) 14.065 13.021 ( 0.000 0.000 -4.443) 4.443 13.604 ( 0.000 0.000 2.867) 2.867 13.739 ( 0.000 0.000 -13.176) 13.176 14.062 ( 0.000 0.000 10.260) 10.260 14.088 ( 0.000 0.000 10.184) 10.184 14.243 ( 0.000 0.000 -8.814) 8.814 14.266 ( 0.000 0.000 -8.632) 8.632 14.764 ( 0.000 0.000 -1.302) 1.302 14.795 ( 0.000 0.000 -4.378) 4.378 15.729 ( 0.000 0.000 8.640) 8.640 15.811 ( 0.000 0.000 -0.494) 0.494 16.022 ( 0.000 0.000 14.061) 14.061 16.235 ( 0.000 0.000 0.451) 0.451 16.255 ( 0.000 0.000 -10.723) 10.723 16.274 ( 0.000 0.000 -3.582) 3.582 18.953 ( 0.000 0.000 4.874) 4.874 19.050 ( 0.000 0.000 -5.298) 5.298 20.041 ( 0.000 0.000 7.921) 7.921 20.203 ( 0.000 0.000 -9.355) 9.355 20.492 ( 0.000 0.000 0.353) 0.353 20.499 ( 0.000 0.000 -0.357) 0.357 20.509 ( 0.000 0.000 0.191) 0.191 20.513 ( 0.000 0.000 -0.186) 0.186 21.086 ( 0.000 0.000 9.234) 9.234 21.250 ( 0.000 0.000 -8.255) 8.255 21.562 ( 0.000 0.000 0.434) 0.434 21.564 ( 0.000 0.000 0.336) 0.336 23.271 ( 0.000 0.000 5.541) 5.541 23.392 ( 0.000 0.000 -7.442) 7.442 24.066 ( 0.000 0.000 9.113) 9.113 24.220 ( 0.000 0.000 -7.379) 7.379 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 13.984 0.000 21.839) 25.932 1.422 ( 12.069 0.000 27.161) 29.722 1.654 ( 8.040 0.000 -21.270) 22.739 1.887 ( 6.054 0.000 -22.496) 23.296 2.130 ( 17.730 0.000 36.073) 40.195 2.396 ( -7.656 0.000 9.065) 11.866 2.525 ( -7.379 0.000 -1.789) 7.592 2.572 ( -12.818 0.000 7.992) 15.106 2.731 ( -10.415 0.000 -8.463) 13.420 2.778 ( 1.829 0.000 -5.026) 5.348 2.835 ( 0.039 0.000 -0.680) 0.681 2.935 ( 7.207 0.000 -18.490) 19.845 3.043 ( 1.925 0.000 5.783) 6.095 3.122 ( 0.417 0.000 -2.355) 2.391 3.283 ( 3.114 0.000 1.127) 3.311 3.310 ( 2.537 0.000 -1.507) 2.951 3.477 ( 4.894 0.000 6.982) 8.526 3.664 ( 0.959 0.000 -12.608) 12.644 3.842 ( -7.533 0.000 11.040) 13.365 4.061 ( -4.773 0.000 -11.321) 12.286 4.333 ( -4.576 0.000 11.249) 12.144 4.507 ( -7.504 0.000 -5.787) 9.476 4.661 ( 2.506 0.000 0.974) 2.688 4.682 ( 3.005 0.000 -1.186) 3.231 4.861 ( -1.915 0.000 2.177) 2.900 4.901 ( -2.046 0.000 -2.035) 2.886 4.920 ( 1.106 0.000 1.780) 2.095 5.006 ( 0.020 0.000 -5.839) 5.839 5.724 ( 5.884 0.000 2.150) 6.265 5.798 ( 6.731 0.000 -5.651) 8.789 6.289 ( 0.631 0.000 4.026) 4.076 6.336 ( -1.760 0.000 -0.206) 1.772 6.832 ( -3.353 0.000 4.304) 5.455 6.908 ( -2.905 0.000 -2.418) 3.779 7.058 ( 4.070 0.000 0.152) 4.073 7.124 ( 0.455 0.000 -4.875) 4.896 7.489 ( 11.232 0.000 4.098) 11.956 7.577 ( 11.972 0.000 -5.642) 13.235 7.816 ( -1.618 0.000 10.762) 10.883 7.952 ( -7.311 0.000 -3.249) 8.001 8.482 ( 0.018 0.000 0.467) 0.467 8.487 ( -0.115 0.000 -0.137) 0.179 8.495 ( 0.020 0.000 2.449) 2.449 8.581 ( 0.663 0.000 -6.561) 6.594 9.551 ( -5.633 0.000 5.554) 7.911 9.651 ( -9.281 0.000 -4.618) 10.367 9.899 ( -0.427 0.000 0.404) 0.588 9.916 ( -0.856 0.000 -1.358) 1.605 10.421 ( 2.961 0.000 3.490) 4.576 10.485 ( 2.765 0.000 -2.912) 4.016 10.530 ( -8.146 0.000 5.537) 9.850 10.603 ( -0.581 0.000 5.419) 5.450 10.644 ( -6.077 0.000 -8.045) 10.082 10.688 ( -1.034 0.000 -3.572) 3.719 11.297 ( -1.840 0.000 5.014) 5.341 11.324 ( 5.600 0.000 10.692) 12.070 11.390 ( -5.025 0.000 -3.877) 6.347 11.533 ( 0.085 0.000 -10.554) 10.555 11.637 ( 3.667 0.000 0.649) 3.724 11.717 ( 0.602 0.000 -6.810) 6.836 12.220 ( 10.168 0.000 1.362) 10.259 12.249 ( 9.308 0.000 -1.377) 9.409 12.372 ( 3.555 0.000 3.519) 5.003 12.416 ( 5.865 0.000 -0.872) 5.929 12.801 ( -1.422 0.000 10.238) 10.336 12.987 ( -3.404 0.000 -6.849) 7.648 13.519 ( -6.662 0.000 4.487) 8.033 13.666 ( -7.515 0.000 -11.650) 13.864 14.064 ( 0.180 0.000 10.204) 10.205 14.084 ( -0.301 0.000 10.113) 10.118 14.246 ( 0.262 0.000 -8.716) 8.720 14.264 ( -0.171 0.000 -8.598) 8.599 14.802 ( 5.432 0.000 3.234) 6.322 14.900 ( 6.542 0.000 -7.079) 9.639 15.673 ( -4.295 0.000 7.086) 8.286 15.759 ( -5.071 0.000 -1.953) 5.434 16.049 ( 2.494 0.000 13.739) 13.964 16.178 ( -1.995 0.000 8.115) 8.357 16.279 ( 2.162 0.000 -10.313) 10.537 16.346 ( 2.849 0.000 -9.601) 10.015 18.996 ( 4.120 0.000 5.405) 6.796 19.094 ( 3.720 0.000 -4.672) 5.972 20.003 ( -3.726 0.000 6.301) 7.320 20.126 ( -7.732 0.000 -6.376) 10.022 20.491 ( -0.085 0.000 0.297) 0.309 20.496 ( -0.214 0.000 -0.261) 0.338 20.511 ( 0.181 0.000 0.157) 0.240 20.515 ( 0.131 0.000 -0.193) 0.233 21.020 ( -6.745 0.000 13.468) 15.063 21.201 ( -4.641 0.000 -0.478) 4.666 21.276 ( -14.065 0.000 2.294) 14.251 21.425 ( -11.884 0.000 -7.338) 13.967 23.353 ( 6.193 0.000 5.966) 8.599 23.483 ( 4.315 0.000 -7.885) 8.988 24.193 ( 9.517 0.000 3.188) 10.036 24.290 ( 5.703 0.000 -6.576) 8.704 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 14.263 0.000 12.762) 19.139 1.725 ( 16.541 0.000 18.019) 24.460 1.751 ( -2.630 0.000 -8.425) 8.826 1.971 ( -3.019 0.000 -4.094) 5.087 2.165 ( -1.325 0.000 7.678) 7.791 2.303 ( -11.719 0.000 -5.220) 12.829 2.356 ( -3.120 0.000 -1.211) 3.347 2.493 ( -11.972 0.000 -11.612) 16.679 2.745 ( 25.917 0.000 21.384) 33.600 2.821 ( -0.162 0.000 5.061) 5.063 2.825 ( 7.250 0.000 4.726) 8.655 3.080 ( 1.722 0.000 4.200) 4.540 3.111 ( -1.243 0.000 1.087) 1.652 3.211 ( 13.612 0.000 -18.129) 22.670 3.337 ( 1.837 0.000 -0.301) 1.862 3.348 ( 0.825 0.000 -1.242) 1.491 3.441 ( -22.046 0.000 8.043) 23.467 3.514 ( -6.463 0.000 -1.200) 6.573 3.718 ( 2.027 0.000 -3.557) 4.094 3.857 ( -11.403 0.000 -12.550) 16.957 4.363 ( 4.045 0.000 3.507) 5.354 4.419 ( -2.029 0.000 -1.353) 2.439 4.727 ( 3.689 0.000 1.458) 3.967 4.755 ( 3.532 0.000 -1.402) 3.800 4.809 ( -2.741 0.000 1.732) 3.242 4.843 ( -3.541 0.000 -1.805) 3.975 4.937 ( 1.611 0.000 0.827) 1.811 4.985 ( -2.304 0.000 -3.443) 4.143 5.855 ( 5.934 0.000 1.071) 6.030 5.904 ( 2.112 0.000 -4.093) 4.605 6.274 ( -1.365 0.000 4.269) 4.482 6.287 ( -2.061 0.000 2.689) 3.388 6.827 ( 2.428 0.000 1.647) 2.933 6.875 ( -1.353 0.000 -3.188) 3.463 7.114 ( -0.163 0.000 -1.158) 1.169 7.123 ( -0.891 0.000 -2.131) 2.310 7.629 ( 6.149 0.000 6.298) 8.802 7.730 ( 1.837 0.000 -3.839) 4.256 7.814 ( -3.030 0.000 3.051) 4.300 7.838 ( -0.055 0.000 -0.040) 0.068 8.483 ( 0.076 0.000 0.287) 0.297 8.485 ( -0.135 0.000 0.058) 0.147 8.607 ( 7.824 0.000 -0.483) 7.839 8.647 ( 4.028 0.000 -4.263) 5.865 9.407 ( -5.893 0.000 1.048) 5.985 9.442 ( -9.095 0.000 -2.516) 9.437 9.893 ( -0.064 0.000 -0.241) 0.249 9.899 ( -0.650 0.000 -0.879) 1.093 10.401 ( -2.381 0.000 4.209) 4.836 10.471 ( -8.388 0.000 -3.608) 9.131 10.489 ( 3.369 0.000 3.849) 5.115 10.531 ( 0.213 0.000 1.228) 1.246 10.601 ( 1.508 0.000 0.704) 1.664 10.652 ( -2.513 0.000 -3.087) 3.981 11.271 ( -0.217 0.000 2.388) 2.398 11.302 ( -3.302 0.000 -0.616) 3.359 11.468 ( 6.714 0.000 3.938) 7.784 11.544 ( -0.680 0.000 -3.450) 3.516 11.698 ( 2.156 0.000 -2.309) 3.159 11.722 ( -0.357 0.000 -4.613) 4.626 12.367 ( 3.846 0.000 2.869) 4.798 12.397 ( 3.172 0.000 2.230) 3.877 12.451 ( 5.011 0.000 1.480) 5.225 12.519 ( 1.780 0.000 -2.668) 3.207 12.834 ( 4.176 0.000 0.596) 4.218 12.908 ( -3.497 0.000 -5.915) 6.871 13.410 ( -2.269 0.000 3.550) 4.213 13.482 ( -8.662 0.000 -4.019) 9.549 14.069 ( 0.341 0.000 10.089) 10.094 14.077 ( -0.414 0.000 10.038) 10.047 14.252 ( 0.366 0.000 -8.573) 8.581 14.259 ( -0.312 0.000 -8.544) 8.550 14.931 ( 5.851 0.000 2.197) 6.250 14.986 ( 1.045 0.000 -3.171) 3.338 15.609 ( -1.071 0.000 2.150) 2.402 15.649 ( -4.677 0.000 -1.715) 4.982 16.106 ( 2.750 0.000 12.681) 12.976 16.149 ( -1.537 0.000 11.343) 11.447 16.329 ( 2.505 0.000 -10.127) 10.432 16.365 ( -0.725 0.000 -10.779) 10.804 19.097 ( 5.086 0.000 5.111) 7.210 19.151 ( 0.589 0.000 -0.083) 0.595 19.918 ( -2.921 0.000 2.019) 3.551 19.956 ( -6.673 0.000 -1.466) 6.832 20.490 ( 0.025 0.000 0.147) 0.149 20.492 ( -0.172 0.000 -0.060) 0.182 20.515 ( 0.145 0.000 0.028) 0.148 20.517 ( 0.010 0.000 -0.115) 0.116 20.934 ( 0.608 0.000 12.763) 12.777 21.034 ( -8.484 0.000 8.192) 11.794 21.181 ( 0.460 0.000 -8.782) 8.794 21.244 ( -5.776 0.000 -9.213) 10.874 23.462 ( 4.176 0.000 2.891) 5.079 23.513 ( -0.856 0.000 -2.400) 2.548 24.345 ( 4.892 0.000 -0.890) 4.972 24.377 ( 1.741 0.000 -4.216) 4.561 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 -0.963 30.164) 30.180 1.249 ( 0.000 15.906 23.177) 28.110 1.675 ( 0.000 11.457 -22.006) 24.810 1.727 ( 0.000 -4.648 -27.485) 27.876 2.328 ( 0.000 29.906 33.480) 44.892 2.564 ( 0.000 1.233 9.434) 9.514 2.603 ( 0.000 3.773 -2.421) 4.483 2.815 ( 0.000 4.702 6.045) 7.658 2.872 ( 0.000 9.963 6.727) 12.021 2.886 ( 0.000 9.338 -14.461) 17.214 2.941 ( 0.000 8.709 -2.209) 8.985 3.010 ( 0.000 9.689 -14.666) 17.578 3.075 ( 0.000 4.890 -0.078) 4.891 3.104 ( 0.000 0.225 -0.705) 0.740 3.330 ( 0.000 8.023 1.029) 8.088 3.342 ( 0.000 6.110 -0.251) 6.115 3.453 ( 0.000 4.523 6.331) 7.781 3.615 ( 0.000 -1.607 -10.666) 10.787 3.824 ( 0.000 -4.287 8.961) 9.933 4.018 ( 0.000 -2.123 -11.236) 11.435 4.398 ( 0.000 -0.924 11.552) 11.588 4.605 ( 0.000 -0.957 -9.756) 9.803 4.798 ( 0.000 3.038 6.867) 7.509 4.911 ( 0.000 12.883 -4.480) 13.639 4.993 ( 0.000 14.381 0.276) 14.384 5.024 ( 0.000 22.159 -2.561) 22.306 5.148 ( 0.000 19.285 0.784) 19.301 5.171 ( 0.000 21.834 -1.511) 21.886 5.699 ( 0.000 3.765 0.775) 3.844 5.738 ( 0.000 2.853 -2.942) 4.098 6.253 ( 0.000 -1.674 2.378) 2.908 6.287 ( 0.000 -4.276 -0.332) 4.289 6.894 ( 0.000 1.829 3.605) 4.042 6.951 ( 0.000 -0.834 -1.145) 1.417 7.058 ( 0.000 -1.449 2.351) 2.762 7.092 ( 0.000 -1.736 -0.736) 1.886 7.177 ( 0.000 -3.861 2.562) 4.633 7.307 ( 0.000 -6.236 -9.894) 11.696 7.842 ( 0.000 0.231 12.215) 12.217 8.002 ( 0.000 -2.090 -3.918) 4.440 8.519 ( 0.000 -0.857 1.396) 1.638 8.546 ( 0.000 1.670 -1.591) 2.306 8.744 ( 0.000 16.080 0.091) 16.081 8.807 ( 0.000 21.061 -7.081) 22.220 9.478 ( 0.000 -9.607 7.365) 12.106 9.555 ( 0.000 -13.976 -0.494) 13.985 9.865 ( 0.000 -8.248 -1.145) 8.327 9.881 ( 0.000 -6.361 -3.157) 7.102 10.335 ( 0.000 6.939 3.631) 7.831 10.392 ( 0.000 0.549 -3.117) 3.165 10.627 ( 0.000 6.836 5.385) 8.702 10.720 ( 0.000 6.122 -2.228) 6.515 10.793 ( 0.000 1.885 3.811) 4.252 10.899 ( 0.000 3.355 -6.945) 7.713 11.197 ( 0.000 -3.478 6.056) 6.984 11.315 ( 0.000 -11.130 -1.282) 11.203 11.535 ( 0.000 1.896 -4.132) 4.547 11.556 ( 0.000 18.795 -12.084) 22.344 11.789 ( 0.000 9.569 1.500) 9.686 11.857 ( 0.000 14.331 -5.378) 15.307 12.123 ( 0.000 1.370 2.297) 2.674 12.156 ( 0.000 2.484 -1.460) 2.881 12.356 ( 0.000 0.951 0.594) 1.122 12.357 ( 0.000 0.544 0.627) 0.830 12.719 ( 0.000 -12.446 11.733) 17.104 12.832 ( 0.000 -18.260 -0.107) 18.261 13.261 ( 0.000 -25.564 8.342) 26.891 13.509 ( 0.000 -19.303 -18.412) 26.676 13.675 ( 0.000 -22.474 10.979) 25.013 13.913 ( 0.000 -13.040 -14.731) 19.674 14.231 ( 0.000 7.061 7.025) 9.960 14.370 ( 0.000 5.758 -7.510) 9.464 15.046 ( 0.000 15.585 2.551) 15.793 15.123 ( 0.000 20.443 -5.609) 21.198 15.945 ( 0.000 8.944 10.711) 13.955 16.035 ( 0.000 17.602 2.009) 17.716 16.056 ( 0.000 3.526 10.063) 10.663 16.232 ( 0.000 -2.616 -7.391) 7.840 16.278 ( 0.000 3.102 -4.690) 5.623 16.315 ( 0.000 14.429 -7.757) 16.382 18.863 ( 0.000 -9.638 0.363) 9.645 18.879 ( 0.000 -16.252 -1.165) 16.294 19.375 ( 0.000 -41.410 3.162) 41.531 19.434 ( 0.000 -43.352 -2.805) 43.443 20.172 ( 0.000 -21.928 9.605) 23.939 20.344 ( 0.000 -11.106 -8.528) 14.003 20.994 ( 0.000 8.640 6.229) 10.651 21.022 ( 0.000 22.439 1.003) 22.461 21.362 ( 0.000 21.396 1.978) 21.487 21.431 ( 0.000 12.008 -4.361) 12.775 21.664 ( 0.000 14.679 0.910) 14.707 21.670 ( 0.000 14.789 0.162) 14.790 23.253 ( 0.000 -0.974 4.811) 4.909 23.363 ( 0.000 -2.502 -6.882) 7.323 23.987 ( 0.000 -7.610 8.059) 11.084 24.116 ( 0.000 -9.583 -5.568) 11.083 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 11.389 3.419 23.490) 26.328 1.454 ( 16.163 9.394 20.701) 27.893 1.715 ( 5.064 4.660 -20.753) 21.865 1.875 ( 11.392 2.764 -22.727) 25.572 2.360 ( -9.255 7.550 12.548) 17.324 2.463 ( 2.189 12.477 12.121) 17.533 2.581 ( -0.781 9.748 9.709) 13.780 2.675 ( -13.520 7.990 7.099) 17.234 2.812 ( -10.659 6.487 -6.186) 13.927 2.830 ( 1.288 4.221 2.490) 5.067 2.882 ( -1.713 5.154 -0.213) 5.435 3.060 ( 5.921 8.546 -4.994) 11.534 3.115 ( 5.958 10.732 -9.176) 15.325 3.177 ( 1.103 4.982 -3.539) 6.210 3.344 ( 2.708 5.320 2.716) 6.559 3.384 ( 2.963 6.470 -1.421) 7.257 3.512 ( 3.643 3.694 4.061) 6.589 3.651 ( 1.847 -0.350 -10.484) 10.651 3.810 ( -2.705 -0.998 10.313) 10.708 4.022 ( -1.354 -0.882 -11.130) 11.247 4.327 ( -5.330 0.300 9.633) 11.014 4.476 ( -9.070 -0.319 -5.108) 10.414 4.837 ( 3.012 3.032 3.617) 5.599 4.916 ( 0.391 6.913 -3.965) 7.979 4.983 ( -0.044 20.592 1.521) 20.648 5.026 ( 0.406 21.854 -2.962) 22.057 5.164 ( 0.071 20.621 -0.710) 20.634 5.169 ( -0.960 21.319 -1.145) 21.371 5.746 ( 4.460 2.384 1.229) 5.205 5.798 ( 5.042 0.270 -4.255) 6.603 6.251 ( -0.382 -3.181 3.249) 4.563 6.280 ( -1.267 -4.112 0.806) 4.377 6.850 ( -2.002 2.029 3.886) 4.819 6.919 ( -1.501 1.563 -2.474) 3.289 7.062 ( 3.675 0.329 0.193) 3.695 7.113 ( 1.846 -0.105 -4.078) 4.478 7.375 ( 13.092 -6.858 5.175) 15.659 7.481 ( 12.180 -7.268 -6.628) 15.655 7.801 ( -3.222 -0.780 9.455) 10.019 7.924 ( -7.334 -1.970 -3.276) 8.270 8.393 ( -7.646 -1.738 4.302) 8.944 8.474 ( -5.639 -0.009 -4.180) 7.020 8.793 ( 4.708 17.534 0.417) 18.160 8.852 ( 3.965 19.732 -5.957) 20.990 9.443 ( -4.441 -8.402 4.620) 10.567 9.518 ( -4.570 -9.559 -3.044) 11.024 9.885 ( 2.024 -5.882 0.234) 6.224 9.912 ( 1.797 -3.412 -2.556) 4.627 10.361 ( 2.064 3.125 3.684) 5.253 10.396 ( 0.437 0.258 -0.518) 0.726 10.610 ( -0.577 7.227 2.675) 7.727 10.658 ( -4.381 6.680 -0.939) 8.043 10.780 ( -2.646 6.843 4.931) 8.840 10.883 ( -3.691 4.772 -5.733) 8.322 11.185 ( 0.879 -4.501 6.560) 8.004 11.359 ( 4.103 -8.989 -6.922) 12.064 11.470 ( -5.889 12.119 -4.524) 14.214 11.512 ( -1.160 3.088 -4.319) 5.434 11.737 ( -3.957 5.071 0.332) 6.441 11.776 ( -5.344 8.534 -3.088) 10.532 12.251 ( 8.937 1.477 0.437) 9.069 12.262 ( 7.467 -0.344 -0.674) 7.505 12.400 ( 4.633 0.161 3.543) 5.835 12.446 ( 6.776 0.185 -1.503) 6.944 12.701 ( -0.699 -9.650 9.569) 13.608 12.819 ( -1.314 -16.478 -1.543) 16.602 13.191 ( -6.117 -24.108 6.664) 25.749 13.361 ( -10.282 -22.372 -9.719) 26.470 13.794 ( 6.040 -16.480 2.365) 17.710 13.932 ( 2.199 -15.017 -10.316) 18.352 14.222 ( -0.418 5.351 6.350) 8.314 14.361 ( -1.115 5.182 -7.930) 9.538 15.074 ( 2.405 15.782 2.509) 16.161 15.139 ( 1.269 17.923 -4.143) 18.439 15.935 ( -1.460 17.432 7.475) 19.024 16.010 ( -1.288 13.856 2.465) 14.132 16.068 ( -0.471 8.445 7.326) 11.190 16.165 ( -2.785 -1.021 4.532) 5.416 16.278 ( 1.130 1.815 -7.102) 7.416 16.360 ( 1.202 4.065 -10.422) 11.252 18.895 ( 3.008 -10.953 0.884) 11.393 18.921 ( 3.538 -16.160 -1.784) 16.639 19.360 ( -1.441 -40.620 2.518) 40.724 19.407 ( -2.543 -41.929 -2.178) 42.063 20.182 ( 1.039 -21.068 9.756) 23.241 20.335 ( -1.131 -11.700 -5.443) 12.953 20.967 ( -3.708 3.355 9.578) 10.805 21.039 ( 1.349 20.398 0.254) 20.444 21.189 ( -12.518 26.808 3.161) 29.755 21.307 ( -11.825 7.098 -6.776) 15.366 21.539 ( -4.552 24.798 3.529) 25.459 21.610 ( -5.515 19.604 -3.922) 20.739 23.325 ( 5.619 -2.258 5.401) 8.114 23.442 ( 4.041 -3.698 -6.985) 8.877 24.098 ( 8.746 -9.042 3.363) 13.022 24.178 ( 5.174 -10.214 -4.552) 12.322 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 16.207 5.463 13.728) 21.931 1.762 ( 10.192 5.122 8.336) 14.128 1.829 ( 4.316 6.797 -3.572) 8.808 1.977 ( -7.916 2.937 -0.685) 8.471 2.243 ( 8.241 4.211 -2.996) 9.728 2.346 ( -7.201 3.168 -7.834) 11.102 2.391 ( -10.866 4.891 1.633) 12.027 2.505 ( -13.406 3.703 -7.661) 15.879 2.838 ( 2.038 4.823 6.018) 7.977 2.854 ( -0.297 3.578 3.269) 4.855 2.989 ( 22.113 17.338 18.740) 33.776 3.129 ( 3.152 4.669 3.694) 6.737 3.160 ( -1.550 4.369 0.773) 4.699 3.329 ( 9.672 10.577 -11.574) 18.423 3.394 ( 1.156 5.097 1.509) 5.440 3.437 ( 2.547 7.094 -2.610) 7.976 3.525 ( -10.427 7.302 5.031) 13.688 3.548 ( -10.578 4.545 1.706) 11.639 3.734 ( 3.140 3.330 -3.388) 5.695 3.890 ( -10.188 4.162 -11.260) 15.745 4.306 ( 2.369 -2.453 2.266) 4.094 4.355 ( -2.900 -2.757 -1.940) 4.447 4.893 ( 2.115 3.042 1.525) 4.007 4.917 ( -0.367 3.302 -0.815) 3.420 5.021 ( 3.519 23.017 0.883) 23.301 5.049 ( 1.882 21.467 -2.055) 21.647 5.118 ( -3.259 23.563 -0.596) 23.795 5.130 ( -3.220 21.679 -1.968) 22.005 5.847 ( 4.535 -0.596 0.377) 4.590 5.882 ( 1.781 -1.842 -3.288) 4.168 6.234 ( -0.794 -3.415 3.371) 4.864 6.244 ( -1.605 -3.581 2.136) 4.468 6.864 ( 2.609 3.713 1.526) 4.788 6.904 ( -0.677 3.128 -2.620) 4.136 7.117 ( 0.738 0.452 -0.208) 0.890 7.132 ( -0.645 0.837 -1.744) 2.039 7.595 ( 9.005 -2.978 4.769) 10.616 7.680 ( 6.646 -5.273 -4.105) 9.425 7.758 ( -2.853 -4.146 1.549) 5.266 7.767 ( -5.953 -3.644 0.483) 6.996 8.320 ( 0.252 -6.233 2.359) 6.670 8.370 ( -4.205 -4.914 -2.888) 7.083 8.923 ( 6.767 19.289 -0.385) 20.445 8.947 ( 4.263 18.899 -2.873) 19.586 9.327 ( -4.783 -5.936 1.274) 7.729 9.371 ( -8.243 -5.002 -3.319) 10.197 9.920 ( 1.149 -1.018 -0.109) 1.538 9.931 ( 0.070 0.039 -1.274) 1.277 10.388 ( 0.856 0.172 3.856) 3.954 10.404 ( -0.293 0.904 2.428) 2.607 10.618 ( 1.278 10.643 1.686) 10.851 10.636 ( 3.315 5.732 -0.504) 6.641 10.689 ( -4.986 9.987 2.793) 11.506 10.750 ( -7.617 5.963 -3.049) 10.143 11.238 ( 3.137 -2.282 1.970) 4.351 11.317 ( -5.208 3.650 -5.339) 8.304 11.519 ( 7.386 -2.385 -0.232) 7.764 11.546 ( 4.753 -1.940 -2.951) 5.922 11.650 ( -4.954 -0.625 -0.878) 5.069 11.663 ( -6.299 0.480 -1.927) 6.605 12.367 ( 3.624 -0.979 3.607) 5.206 12.392 ( 2.245 -2.155 3.223) 4.480 12.508 ( 5.905 0.546 -0.413) 5.945 12.559 ( 2.352 -3.038 -3.685) 5.324 12.739 ( 4.136 -5.975 2.605) 7.719 12.789 ( -1.269 -9.958 -1.806) 10.200 13.073 ( -3.323 -25.428 3.358) 25.863 13.149 ( -9.616 -24.045 -4.621) 26.306 13.884 ( 3.875 -13.329 4.416) 14.566 13.949 ( -1.754 -12.489 -0.506) 12.621 14.249 ( 3.247 1.742 -1.993) 4.189 14.319 ( -3.076 3.009 -7.583) 8.719 15.126 ( 2.351 14.967 1.792) 15.256 15.153 ( -0.228 14.803 -0.891) 14.832 15.911 ( -0.125 23.361 2.685) 23.515 15.946 ( -3.491 24.238 -1.014) 24.509 16.094 ( 2.507 -0.997 11.499) 11.811 16.136 ( -1.446 -0.557 9.856) 9.977 16.314 ( 2.157 -1.011 -8.548) 8.874 16.353 ( -1.516 -0.469 -9.873) 10.000 18.964 ( 3.123 -13.465 0.948) 13.855 18.983 ( 1.673 -15.946 -0.977) 16.063 19.330 ( -0.893 -38.835 0.812) 38.854 19.348 ( -2.606 -39.094 -0.876) 39.191 20.218 ( 2.685 -18.343 9.493) 20.827 20.286 ( -3.610 -14.410 4.485) 15.518 20.879 ( -0.608 3.889 2.689) 4.767 20.984 ( -9.020 12.744 -6.418) 16.881 21.085 ( 1.247 24.085 1.786) 24.184 21.122 ( -3.414 17.553 -2.193) 18.016 21.492 ( -0.547 25.731 0.476) 25.741 21.519 ( -3.225 23.686 -2.330) 24.017 23.426 ( 3.900 -3.275 2.651) 5.741 23.473 ( -0.662 -3.756 -2.193) 4.399 24.241 ( 4.463 -9.952 -0.637) 10.926 24.264 ( 2.123 -10.596 -2.843) 11.174 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 19.654 13.962) 24.109 1.635 ( 0.000 20.509 11.939) 23.731 1.763 ( 0.000 9.980 -18.119) 20.686 1.975 ( 0.000 17.639 -17.630) 24.939 2.619 ( 0.000 6.185 4.434) 7.610 2.679 ( 0.000 4.919 -1.972) 5.300 2.914 ( 0.000 14.042 9.062) 16.712 2.997 ( 0.000 24.667 22.721) 33.537 3.022 ( 0.000 6.423 -4.244) 7.699 3.093 ( 0.000 10.622 4.603) 11.576 3.098 ( 0.000 6.311 3.907) 7.423 3.116 ( 0.000 1.181 2.329) 2.612 3.192 ( 0.000 8.360 -5.275) 9.885 3.345 ( 0.000 13.316 -11.474) 17.578 3.439 ( 0.000 1.970 1.912) 2.745 3.488 ( 0.000 6.969 -3.200) 7.669 3.568 ( 0.000 7.938 1.789) 8.137 3.664 ( 0.000 10.197 -9.867) 14.189 3.854 ( 0.000 7.558 8.809) 11.607 4.057 ( 0.000 6.246 -11.288) 12.900 4.401 ( 0.000 1.466 10.959) 11.056 4.619 ( 0.000 2.640 -11.336) 11.639 4.814 ( 0.000 0.302 6.513) 6.520 4.941 ( 0.000 -0.678 -6.590) 6.625 5.493 ( 0.000 20.432 -0.002) 20.432 5.503 ( 0.000 18.193 -1.240) 18.235 5.689 ( 0.000 33.897 2.590) 33.995 5.721 ( 0.000 29.645 -1.005) 29.662 5.825 ( 0.000 9.014 1.062) 9.076 5.846 ( 0.000 10.031 -0.497) 10.043 6.272 ( 0.000 6.394 0.284) 6.400 6.276 ( 0.000 7.952 -0.597) 7.974 6.942 ( 0.000 2.852 2.799) 3.996 6.968 ( 0.000 2.977 1.179) 3.202 7.058 ( 0.000 1.967 1.595) 2.533 7.102 ( 0.000 -0.594 -2.221) 2.299 7.145 ( 0.000 3.262 -2.683) 4.224 7.213 ( 0.000 -2.488 -8.091) 8.465 7.868 ( 0.000 2.561 8.196) 8.587 7.970 ( 0.000 -0.947 -2.096) 2.300 8.532 ( 0.000 2.820 3.437) 4.445 8.593 ( 0.000 3.493 -3.203) 4.740 9.072 ( 0.000 14.609 2.463) 14.815 9.137 ( 0.000 9.171 -3.592) 9.849 9.286 ( 0.000 -8.460 3.564) 9.180 9.309 ( 0.000 -7.440 -0.478) 7.456 9.692 ( 0.000 -6.276 2.856) 6.896 9.786 ( 0.000 -1.563 -6.869) 7.044 10.370 ( 0.000 -4.435 2.661) 5.172 10.405 ( 0.000 -3.691 0.767) 3.770 10.792 ( 0.000 0.923 -0.852) 1.256 10.805 ( 0.000 10.129 -4.381) 11.036 10.844 ( 0.000 -0.218 10.599) 10.601 11.035 ( 0.000 11.216 -6.400) 12.914 11.095 ( 0.000 -11.330 -1.144) 11.388 11.132 ( 0.000 -0.662 -2.102) 2.204 11.490 ( 0.000 -10.346 5.470) 11.703 11.671 ( 0.000 -12.922 -13.335) 18.569 11.954 ( 0.000 -5.144 4.752) 7.003 12.031 ( 0.000 -6.466 -3.597) 7.399 12.111 ( 0.000 4.696 7.068) 8.486 12.212 ( 0.000 10.029 -3.277) 10.551 12.300 ( 0.000 -7.288 4.187) 8.405 12.337 ( 0.000 0.147 -0.761) 0.775 12.437 ( 0.000 -14.455 5.900) 15.612 12.446 ( 0.000 -8.434 6.045) 10.376 12.820 ( 0.000 -11.874 10.146) 15.618 13.196 ( 0.000 -8.600 -27.871) 29.168 13.435 ( 0.000 -3.393 18.225) 18.538 13.860 ( 0.000 3.627 -27.126) 27.368 14.296 ( 0.000 0.204 5.600) 5.604 14.417 ( 0.000 -0.632 -6.914) 6.943 15.304 ( 0.000 10.050 5.404) 11.411 15.438 ( 0.000 10.132 -8.481) 13.213 15.975 ( 0.000 -3.905 7.709) 8.641 16.093 ( 0.000 -6.801 -4.415) 8.108 16.105 ( 0.000 4.904 10.501) 11.589 16.276 ( 0.000 5.417 -7.554) 9.296 16.578 ( 0.000 21.553 7.279) 22.749 16.757 ( 0.000 21.914 -12.431) 25.194 18.468 ( 0.000 -23.276 2.575) 23.418 18.532 ( 0.000 -24.913 -4.287) 25.280 18.587 ( 0.000 -36.622 1.960) 36.674 18.650 ( 0.000 -33.752 -5.337) 34.172 19.823 ( 0.000 -12.018 19.441) 22.856 20.156 ( 0.000 -7.600 -16.152) 17.851 20.838 ( 0.000 -15.344 21.883) 26.726 21.096 ( 0.000 -8.081 -7.682) 11.150 21.802 ( 0.000 17.424 -0.494) 17.431 21.802 ( 0.000 19.993 -0.455) 19.998 22.044 ( 0.000 19.056 0.341) 19.060 22.044 ( 0.000 20.577 0.359) 20.580 23.258 ( 0.000 1.613 1.830) 2.440 23.315 ( 0.000 -1.761 -4.239) 4.590 23.783 ( 0.000 -12.309 5.886) 13.644 23.873 ( 0.000 -14.163 -3.722) 14.644 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 10.917 17.291 13.202) 24.340 1.738 ( 8.972 16.308 7.135) 19.933 1.848 ( 7.884 11.523 -12.293) 18.603 2.060 ( 7.481 13.784 -17.024) 23.147 2.488 ( -11.475 8.490 6.385) 15.637 2.606 ( -7.285 6.415 -5.539) 11.176 2.812 ( -15.458 6.152 5.115) 17.405 2.883 ( -10.650 5.804 -0.337) 12.133 2.957 ( -0.551 7.804 1.123) 7.904 2.977 ( -0.647 12.056 3.882) 12.682 3.146 ( 9.061 21.319 14.209) 27.175 3.185 ( 0.174 8.015 7.850) 11.220 3.281 ( 0.981 5.218 -2.721) 5.966 3.410 ( 6.140 5.911 -2.498) 8.881 3.452 ( 3.381 7.975 -3.020) 9.174 3.517 ( 4.305 10.193 -3.707) 11.669 3.642 ( 2.861 9.398 1.547) 9.945 3.733 ( 5.052 9.471 -9.441) 14.295 3.867 ( 0.978 7.121 9.975) 12.295 4.078 ( 1.140 6.538 -10.161) 12.137 4.359 ( -3.664 2.956 8.329) 9.568 4.518 ( -8.308 4.554 -6.590) 11.541 4.853 ( 2.966 0.139 2.345) 3.784 4.936 ( -0.303 -0.216 -5.527) 5.539 5.511 ( 2.231 21.869 0.836) 21.998 5.537 ( 2.471 21.463 -1.800) 21.680 5.710 ( 1.127 31.778 1.328) 31.826 5.721 ( -0.857 28.318 0.070) 28.331 5.834 ( 1.295 5.219 -0.263) 5.384 5.853 ( 1.086 12.440 -1.704) 12.603 6.232 ( -2.839 5.134 1.924) 6.174 6.257 ( -2.410 5.154 -0.649) 5.727 6.917 ( 0.735 4.617 3.421) 5.793 6.982 ( 0.586 4.696 -2.898) 5.549 7.084 ( 3.109 2.329 1.143) 4.049 7.127 ( 2.242 0.976 -2.707) 3.648 7.295 ( 12.137 -0.845 1.045) 12.211 7.362 ( 11.191 -3.847 -5.842) 13.197 7.803 ( -5.373 1.339 6.495) 8.535 7.896 ( -6.996 -0.360 -3.089) 7.656 8.393 ( -9.994 1.846 6.025) 11.814 8.492 ( -8.973 1.870 -4.512) 10.217 9.116 ( 3.881 11.545 0.721) 12.201 9.148 ( 1.341 7.254 -2.119) 7.675 9.290 ( -0.021 -4.478 3.531) 5.703 9.361 ( 2.331 -3.496 -4.071) 5.850 9.760 ( 6.253 -3.752 3.900) 8.270 9.849 ( 4.499 -0.629 -5.404) 7.059 10.347 ( -1.272 -3.797 4.886) 6.317 10.411 ( 0.268 -3.873 -1.089) 4.032 10.749 ( -2.161 4.506 3.162) 5.914 10.827 ( -0.291 4.149 -4.887) 6.417 10.876 ( 2.921 1.513 9.387) 9.946 10.998 ( -3.140 9.776 -0.806) 10.300 11.147 ( 2.828 -3.394 -3.517) 5.647 11.159 ( 5.321 -5.078 -5.594) 9.241 11.497 ( 0.161 -3.930 3.583) 5.321 11.628 ( -4.381 -5.090 -10.187) 12.201 11.858 ( -11.020 2.400 1.201) 11.342 11.873 ( -8.168 -3.642 -0.150) 8.945 12.135 ( -1.878 -14.260 4.657) 15.118 12.169 ( -0.981 -10.301 0.263) 10.351 12.251 ( -2.788 -13.719 6.440) 15.410 12.325 ( -0.638 -5.373 -1.579) 5.637 12.484 ( 6.128 -7.329 4.778) 10.681 12.579 ( 7.473 -0.340 -4.105) 8.533 12.855 ( 2.004 -5.207 10.881) 12.228 13.060 ( -8.708 -4.941 -6.216) 11.785 13.576 ( 8.428 -5.440 0.120) 10.032 13.831 ( -1.827 2.273 -22.539) 22.727 14.257 ( -2.911 -1.086 6.000) 6.757 14.396 ( -2.354 -1.116 -8.532) 8.920 15.340 ( 3.091 10.514 4.577) 11.876 15.444 ( 0.355 10.564 -5.973) 12.140 15.996 ( 1.832 -4.205 6.870) 8.261 16.081 ( -0.606 -4.705 1.638) 5.019 16.152 ( 4.152 4.398 4.530) 7.556 16.294 ( 1.780 5.644 -7.059) 9.212 16.542 ( -3.270 21.398 5.631) 22.367 16.673 ( -7.488 21.255 -8.411) 24.054 18.495 ( 2.240 -25.194 1.585) 25.343 18.548 ( 1.453 -26.498 -4.065) 26.848 18.583 ( -0.370 -34.957 1.603) 34.996 18.642 ( -0.745 -32.558 -5.223) 32.983 19.849 ( 2.679 -11.481 19.113) 22.457 20.136 ( -2.400 -8.216 -9.151) 12.530 20.788 ( -3.527 -13.074 16.726) 21.520 21.045 ( -5.292 -9.243 -9.699) 14.405 21.716 ( -5.889 21.342 -0.132) 22.140 21.723 ( -5.744 21.943 -0.771) 22.696 22.024 ( -1.505 22.398 0.554) 22.456 22.033 ( -1.616 20.226 -0.314) 20.293 23.289 ( 2.996 -0.911 3.238) 4.505 23.361 ( 2.494 -3.823 -4.425) 6.358 23.864 ( 6.767 -13.513 3.377) 15.485 23.925 ( 4.275 -14.534 -2.842) 15.414 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 16.583 14.191 9.927) 23.978 1.934 ( 8.676 11.949 2.887) 15.046 2.013 ( 5.549 11.572 -2.210) 13.022 2.124 ( -10.159 11.351 -1.396) 15.297 2.313 ( 3.001 4.387 -5.122) 7.381 2.436 ( -7.599 6.509 -10.997) 14.867 2.545 ( -8.130 9.394 2.249) 12.626 2.624 ( -12.206 7.122 -5.829) 15.286 2.970 ( 0.446 7.924 3.210) 8.561 2.973 ( 0.030 8.688 3.291) 9.291 3.197 ( 1.649 3.655 4.149) 5.769 3.244 ( -2.610 3.282 -0.615) 4.238 3.410 ( 14.301 19.465 12.150) 27.038 3.518 ( 3.665 8.084 3.845) 9.673 3.549 ( 3.401 8.564 -3.716) 9.935 3.582 ( 1.486 8.860 -1.896) 9.182 3.666 ( 0.577 10.272 4.036) 11.051 3.770 ( -6.478 13.722 5.645) 16.190 3.886 ( 5.036 10.961 -3.041) 12.440 4.030 ( -6.448 9.446 -6.097) 12.961 4.318 ( 0.637 3.786 -0.409) 3.861 4.370 ( -4.933 4.720 -3.970) 7.898 4.908 ( 2.084 -0.032 -0.572) 2.161 4.931 ( -0.406 -0.122 -2.856) 2.887 5.570 ( 3.148 25.929 0.707) 26.129 5.592 ( 2.160 26.937 -1.620) 27.072 5.682 ( -1.712 24.673 0.478) 24.737 5.701 ( -2.150 27.820 -1.449) 27.940 5.869 ( 1.922 7.320 -0.680) 7.599 5.884 ( 0.844 10.098 -2.135) 10.356 6.187 ( -1.023 1.633 2.441) 3.109 6.202 ( -2.328 2.271 0.876) 3.368 6.971 ( 3.451 6.826 1.780) 7.853 7.004 ( 0.647 6.772 -1.580) 6.984 7.138 ( 1.575 1.770 0.825) 2.509 7.155 ( 0.023 1.480 -0.735) 1.653 7.539 ( 10.595 -1.889 0.530) 10.775 7.569 ( 7.913 -4.395 -2.630) 9.426 7.702 ( -4.154 -0.694 1.684) 4.535 7.736 ( -7.695 0.180 -1.687) 7.880 8.246 ( -2.880 -1.288 3.339) 4.594 8.306 ( -7.871 -1.580 -2.875) 8.527 9.185 ( 2.189 0.366 -0.216) 2.230 9.198 ( 2.363 -1.323 -1.578) 3.135 9.292 ( 1.552 11.821 1.884) 12.070 9.355 ( -2.703 7.403 -4.811) 9.233 9.866 ( 2.823 -2.337 0.846) 3.761 9.893 ( -0.305 -1.845 -2.058) 2.781 10.372 ( 4.213 -2.049 7.308) 8.681 10.428 ( 0.540 -0.559 2.478) 2.598 10.726 ( -0.181 2.040 3.459) 4.020 10.769 ( -4.321 -0.044 -0.529) 4.354 10.913 ( 0.933 9.119 3.267) 9.731 10.943 ( -2.339 11.801 -0.338) 12.036 11.250 ( 8.135 3.350 -3.103) 9.329 11.307 ( 6.926 -6.329 -6.478) 11.401 11.470 ( -4.779 1.353 -1.343) 5.146 11.495 ( -6.904 -0.795 -4.339) 8.193 11.670 ( -4.262 -1.296 2.662) 5.189 11.716 ( -6.397 -1.106 -2.064) 6.812 12.133 ( 1.971 -23.449 4.783) 24.013 12.174 ( -0.194 -22.015 2.402) 22.146 12.210 ( -0.017 -22.508 1.744) 22.575 12.272 ( -3.959 -18.201 -2.779) 18.832 12.634 ( 8.278 -2.132 5.609) 10.224 12.741 ( 7.215 3.059 -4.953) 9.270 12.809 ( -5.488 0.873 6.769) 8.758 12.913 ( -6.658 2.313 -3.398) 7.825 13.704 ( 5.354 -4.499 -0.935) 7.056 13.797 ( -2.944 -2.120 -9.185) 9.875 14.239 ( 2.147 -2.395 -1.235) 3.446 14.321 ( -4.769 -2.164 -8.778) 10.221 15.404 ( 2.790 11.239 2.593) 11.867 15.441 ( -0.872 11.257 -1.064) 11.340 16.035 ( 1.818 -4.147 5.155) 6.862 16.065 ( -1.115 -4.407 3.319) 5.629 16.265 ( 6.468 5.637 1.147) 8.656 16.335 ( 1.156 3.658 -5.281) 6.527 16.468 ( -3.041 22.808 2.572) 23.153 16.510 ( -7.135 21.039 -1.720) 22.282 18.539 ( 1.885 -30.361 0.836) 30.431 18.566 ( -0.698 -36.417 0.707) 36.430 18.588 ( 1.637 -24.359 -3.899) 24.724 18.620 ( -1.401 -29.115 -4.868) 29.553 19.930 ( 5.323 -10.326 16.868) 20.482 20.049 ( -5.924 -9.353 7.644) 13.453 20.772 ( 3.030 -9.010 -0.071) 9.506 20.897 ( -8.253 -8.851 -10.260) 15.865 21.636 ( -1.688 23.883 0.229) 23.943 21.642 ( -2.106 23.403 -0.338) 23.500 21.995 ( -0.979 23.023 0.210) 23.044 21.998 ( -1.279 22.192 -0.071) 22.229 23.351 ( 2.628 -3.727 1.810) 4.906 23.382 ( -0.375 -4.810 -1.458) 5.040 23.982 ( 3.783 -14.947 0.181) 15.419 23.998 ( 2.044 -15.128 -1.356) 15.326 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 25.549 2.995) 25.724 2.003 ( 0.000 19.068 -9.980) 21.522 2.124 ( 0.000 21.464 8.051) 22.924 2.339 ( 0.000 17.987 -12.844) 22.102 2.775 ( 0.000 8.828 1.873) 9.024 2.805 ( 0.000 7.260 -1.215) 7.361 3.114 ( 0.000 9.897 4.529) 10.884 3.132 ( 0.000 0.228 3.341) 3.349 3.159 ( 0.000 6.763 -1.055) 6.845 3.193 ( 0.000 3.470 0.740) 3.548 3.237 ( 0.000 3.800 5.446) 6.640 3.347 ( 0.000 5.600 -5.649) 7.954 3.427 ( 0.000 2.028 -3.267) 3.845 3.449 ( 0.000 5.461 -0.056) 5.462 3.568 ( 0.000 21.418 14.864) 26.070 3.695 ( 0.000 10.243 -1.022) 10.294 3.781 ( 0.000 13.983 4.729) 14.761 3.948 ( 0.000 14.325 -8.622) 16.719 4.051 ( 0.000 10.620 8.669) 13.709 4.262 ( 0.000 13.793 -11.105) 17.708 4.462 ( 0.000 4.786 11.633) 12.579 4.711 ( 0.000 6.359 -12.930) 14.409 4.835 ( 0.000 2.224 2.894) 3.650 4.927 ( 0.000 -0.391 -6.139) 6.151 5.694 ( 0.000 4.533 0.504) 4.561 5.717 ( 0.000 5.631 -2.159) 6.031 5.878 ( 0.000 -1.000 3.596) 3.732 5.930 ( 0.000 0.841 -1.847) 2.030 6.388 ( 0.000 32.427 1.435) 32.459 6.397 ( 0.000 29.175 0.485) 29.179 6.643 ( 0.000 26.559 0.570) 26.565 6.656 ( 0.000 25.228 -0.668) 25.237 7.008 ( 0.000 4.089 4.281) 5.920 7.064 ( 0.000 6.971 -0.070) 6.971 7.134 ( 0.000 5.605 0.273) 5.611 7.158 ( 0.000 8.793 0.295) 8.798 7.217 ( 0.000 2.832 -5.495) 6.182 7.251 ( 0.000 6.298 -7.710) 9.955 7.953 ( 0.000 6.228 2.922) 6.880 7.975 ( 0.000 1.707 1.319) 2.157 8.629 ( 0.000 6.383 3.409) 7.237 8.672 ( 0.000 3.879 -1.741) 4.252 9.108 ( 0.000 -2.631 5.453) 6.054 9.185 ( 0.000 -0.085 -1.512) 1.515 9.277 ( 0.000 5.576 2.538) 6.127 9.358 ( 0.000 4.591 -5.545) 7.199 9.682 ( 0.000 5.402 7.696) 9.403 9.835 ( 0.000 5.838 -8.575) 10.373 10.244 ( 0.000 -9.295 4.475) 10.316 10.295 ( 0.000 -5.460 0.485) 5.481 10.585 ( 0.000 -19.829 4.905) 20.426 10.685 ( 0.000 -24.566 -6.620) 25.442 10.778 ( 0.000 -7.826 8.764) 11.750 10.993 ( 0.000 -11.140 -12.857) 17.012 11.042 ( 0.000 -24.612 2.791) 24.770 11.092 ( 0.000 -14.548 -2.964) 14.847 11.218 ( 0.000 1.876 0.413) 1.921 11.254 ( 0.000 -5.336 -4.382) 6.905 11.685 ( 0.000 -13.174 8.494) 15.676 11.825 ( 0.000 -5.469 -6.133) 8.217 12.102 ( 0.000 -0.388 24.075) 24.078 12.255 ( 0.000 -0.440 5.236) 5.254 12.375 ( 0.000 0.206 -0.070) 0.217 12.442 ( 0.000 6.802 -1.179) 6.904 12.460 ( 0.000 13.918 2.493) 14.139 12.534 ( 0.000 15.415 -7.624) 17.197 12.796 ( 0.000 6.161 7.908) 10.025 13.114 ( 0.000 -1.034 -26.315) 26.335 13.439 ( 0.000 2.393 21.588) 21.720 13.941 ( 0.000 2.997 -30.368) 30.515 14.273 ( 0.000 -1.828 4.711) 5.054 14.374 ( 0.000 -3.161 -5.282) 6.156 15.446 ( 0.000 4.743 0.172) 4.746 15.519 ( 0.000 -1.292 -6.294) 6.425 15.856 ( 0.000 -6.927 2.436) 7.343 15.926 ( 0.000 -9.546 -4.211) 10.433 16.240 ( 0.000 6.562 9.747) 11.750 16.407 ( 0.000 6.354 -8.078) 10.277 16.931 ( 0.000 11.607 6.661) 13.383 17.055 ( 0.000 5.386 -6.834) 8.701 17.911 ( 0.000 -27.704 0.524) 27.709 17.949 ( 0.000 -26.314 -4.330) 26.667 18.060 ( 0.000 -18.183 1.739) 18.266 18.095 ( 0.000 -24.616 -1.976) 24.695 19.678 ( 0.000 -3.499 19.601) 19.911 20.031 ( 0.000 -5.289 -17.626) 18.402 20.523 ( 0.000 -15.018 26.455) 30.421 20.873 ( 0.000 -12.885 -12.219) 17.757 22.027 ( 0.000 6.445 2.498) 6.912 22.085 ( 0.000 8.306 -3.618) 9.059 22.384 ( 0.000 14.484 2.526) 14.703 22.426 ( 0.000 16.485 -1.909) 16.596 23.299 ( 0.000 -0.193 -0.135) 0.235 23.306 ( 0.000 2.667 -0.783) 2.780 23.524 ( 0.000 -12.759 3.193) 13.153 23.575 ( 0.000 -15.129 -2.212) 15.290 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 6.169 22.877 4.770) 24.169 2.069 ( 6.291 17.998 -8.459) 20.858 2.177 ( 4.747 18.690 5.227) 19.979 2.358 ( 1.390 14.967 -11.565) 18.965 2.694 ( -8.513 11.289 3.643) 14.601 2.759 ( -4.920 8.374 -3.030) 10.174 2.914 ( -12.716 4.836 3.681) 14.094 2.976 ( -11.354 4.490 -2.340) 12.431 3.131 ( 0.466 8.933 2.439) 9.271 3.177 ( -0.459 8.350 -1.783) 8.550 3.282 ( -4.599 5.017 2.745) 7.338 3.342 ( -1.732 1.328 -2.601) 3.395 3.454 ( 7.956 4.289 4.359) 10.035 3.532 ( 8.189 4.868 -3.529) 10.160 3.693 ( 7.039 22.109 13.262) 26.725 3.776 ( 6.067 11.949 1.473) 13.482 3.845 ( 2.074 10.530 2.384) 10.994 3.978 ( 4.473 12.505 -6.286) 14.693 4.052 ( 0.434 10.150 8.876) 13.491 4.274 ( 0.802 12.678 -9.052) 15.598 4.446 ( -1.248 5.887 8.092) 10.084 4.651 ( -5.431 8.411 -9.576) 13.854 4.860 ( 2.039 0.971 -0.018) 2.258 4.929 ( 0.095 -0.241 -5.857) 5.863 5.719 ( 2.185 3.067 0.140) 3.768 5.737 ( 1.806 4.315 -1.934) 5.061 5.877 ( -0.010 -0.803 2.543) 2.667 5.918 ( -1.058 1.074 -1.711) 2.281 6.398 ( 1.004 31.741 1.972) 31.818 6.418 ( 1.922 29.581 -0.239) 29.645 6.595 ( -4.079 26.735 1.138) 27.068 6.619 ( -3.525 27.605 -1.233) 27.857 7.030 ( 3.498 6.669 4.411) 8.727 7.103 ( 2.789 7.554 -2.632) 8.472 7.167 ( 2.372 5.259 0.847) 5.832 7.177 ( 1.661 6.825 0.229) 7.028 7.318 ( 8.688 1.804 -2.793) 9.302 7.348 ( 8.984 2.983 -6.268) 11.353 7.865 ( -6.632 4.822 4.415) 9.313 7.929 ( -5.337 4.225 -2.042) 7.107 8.474 ( -11.373 6.569 5.607) 14.280 8.551 ( -11.049 4.326 -2.606) 12.149 9.115 ( 0.915 -2.478 2.834) 3.874 9.180 ( -0.910 -0.638 -3.523) 3.694 9.358 ( 6.606 5.532 2.665) 9.019 9.423 ( 5.108 5.602 -3.898) 8.524 9.781 ( 7.853 5.244 6.638) 11.542 9.896 ( 3.487 4.127 -5.435) 7.664 10.257 ( -2.047 -6.807 3.897) 8.106 10.273 ( 3.278 -8.110 1.668) 8.905 10.623 ( 0.884 -19.000 1.647) 19.092 10.703 ( 2.722 -21.106 -6.280) 22.188 10.756 ( -1.414 -9.842 9.594) 13.817 10.937 ( -0.966 -15.939 -7.493) 17.639 11.080 ( 1.838 -10.681 1.339) 10.920 11.124 ( 4.340 -14.234 -4.012) 15.412 11.299 ( 5.748 -3.612 0.638) 6.819 11.334 ( 6.621 -7.556 -3.847) 10.758 11.648 ( -3.913 -11.849 7.359) 14.486 11.776 ( -5.697 -3.705 -6.221) 9.213 12.000 ( -8.296 -0.059 18.453) 20.232 12.078 ( -11.898 1.165 8.302) 14.555 12.109 ( -15.709 1.489 -1.709) 15.871 12.335 ( -9.349 4.429 -8.515) 13.398 12.580 ( 7.223 10.892 5.202) 14.066 12.722 ( 10.084 12.193 -9.030) 18.218 12.876 ( 5.369 4.808 9.860) 12.214 13.047 ( -4.517 1.782 -5.008) 6.976 13.537 ( 7.197 0.668 5.830) 9.286 13.907 ( -3.181 3.670 -26.903) 27.338 14.213 ( -4.205 -2.693 4.995) 7.063 14.348 ( -2.905 -2.986 -8.492) 9.459 15.481 ( 3.052 3.940 0.839) 5.054 15.542 ( 1.818 0.141 -4.500) 4.855 15.877 ( 1.862 -7.059 1.445) 7.442 15.932 ( 0.414 -9.124 -3.437) 9.759 16.279 ( 3.693 6.082 8.017) 10.719 16.420 ( 1.064 5.911 -6.971) 9.202 16.901 ( -2.660 12.177 5.405) 13.585 16.991 ( -5.693 7.757 -4.274) 10.529 17.906 ( -0.474 -28.161 0.274) 28.166 17.924 ( -1.685 -27.061 -1.679) 27.165 18.089 ( 1.921 -19.833 -0.632) 19.936 18.106 ( 0.927 -23.727 -1.909) 23.822 19.707 ( 2.857 -3.681 19.176) 19.734 20.000 ( -3.227 -5.635 -8.129) 10.404 20.521 ( 0.550 -12.969 16.596) 21.069 20.822 ( -4.934 -12.364 -12.734) 18.422 22.007 ( -1.436 8.876 1.772) 9.164 22.049 ( -2.780 10.519 -2.703) 11.211 22.374 ( -0.950 13.742 2.262) 13.959 22.410 ( -1.549 15.681 -1.610) 15.839 23.290 ( -0.283 0.415 0.510) 0.716 23.302 ( -0.221 -2.022 -0.770) 2.174 23.595 ( 5.498 -12.579 1.796) 13.845 23.627 ( 4.134 -14.615 -1.502) 15.263 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 12.060 16.451 7.134) 21.610 2.223 ( 7.561 16.405 -0.711) 18.077 2.272 ( 1.522 13.620 0.751) 13.726 2.376 ( -0.832 11.773 -8.720) 14.674 2.450 ( -9.177 10.372 3.719) 14.340 2.603 ( -11.226 9.538 -10.224) 17.931 2.752 ( -3.198 11.504 -0.518) 11.952 2.781 ( -5.493 9.037 -3.309) 11.081 3.151 ( 1.238 9.538 2.891) 10.043 3.170 ( -0.436 10.631 1.505) 10.746 3.247 ( 0.620 1.916 1.991) 2.832 3.287 ( -2.846 1.671 -1.647) 3.688 3.621 ( 7.996 5.632 4.061) 10.590 3.689 ( 6.552 5.232 -3.273) 9.001 3.763 ( -5.342 9.726 1.912) 11.260 3.775 ( -0.631 11.821 1.695) 11.958 3.944 ( 7.422 16.882 10.399) 21.172 4.047 ( -1.294 13.424 9.550) 16.525 4.117 ( 6.951 11.279 -0.628) 13.264 4.246 ( -4.620 11.287 -0.124) 12.196 4.447 ( 2.046 8.559 -3.630) 9.519 4.527 ( -5.818 10.004 -7.123) 13.589 4.901 ( 1.817 -0.201 -2.663) 3.230 4.926 ( -0.586 -0.188 -4.655) 4.695 5.763 ( 1.835 -0.119 -0.304) 1.864 5.773 ( 1.102 0.538 -1.357) 1.829 5.880 ( 0.323 0.989 0.208) 1.061 5.895 ( -1.115 1.938 -1.349) 2.612 6.432 ( 2.575 30.744 2.498) 30.953 6.467 ( 2.847 30.802 -1.222) 30.958 6.505 ( -4.411 28.306 1.951) 28.714 6.537 ( -4.072 29.757 -1.422) 30.068 7.125 ( 4.582 8.303 3.001) 9.947 7.159 ( 1.651 8.226 -0.325) 8.396 7.197 ( 0.721 4.674 0.203) 4.734 7.204 ( 0.425 4.441 -0.419) 4.481 7.515 ( 9.306 -0.603 -0.232) 9.329 7.547 ( 9.107 2.335 -3.532) 10.043 7.731 ( -5.740 3.310 2.791) 7.189 7.788 ( -7.997 5.381 -2.879) 10.059 8.288 ( -4.949 6.442 3.009) 8.662 8.330 ( -8.572 5.045 -1.391) 10.043 9.135 ( 0.968 -1.719 -0.450) 2.023 9.156 ( -1.217 -1.139 -2.616) 3.102 9.496 ( 6.001 6.815 1.148) 9.153 9.524 ( 3.671 7.416 -1.700) 8.447 9.856 ( -0.599 0.764 1.670) 1.932 9.887 ( -3.552 0.476 -1.618) 3.932 10.306 ( 6.343 -5.808 6.576) 10.826 10.358 ( 2.702 -7.323 1.264) 7.907 10.612 ( 0.182 -14.783 4.016) 15.319 10.664 ( -3.997 -13.525 1.357) 14.169 10.850 ( 6.274 -14.609 -1.078) 15.936 10.927 ( -1.383 -16.971 -6.256) 18.140 11.208 ( 10.840 -3.842 2.622) 11.796 11.247 ( 8.347 -9.415 -1.393) 12.659 11.384 ( 0.748 -8.049 3.188) 8.690 11.445 ( 2.147 -9.042 -3.228) 9.838 11.498 ( -11.038 -7.508 2.989) 13.680 11.563 ( -11.816 -4.340 -4.014) 13.212 11.845 ( -3.845 -3.122 9.973) 11.136 11.888 ( -6.724 -2.369 9.774) 12.098 11.966 ( 2.612 -0.100 -5.035) 5.673 12.117 ( -10.726 2.991 -10.734) 15.467 12.722 ( 6.996 8.245 9.601) 14.460 12.857 ( -5.720 6.219 10.125) 13.187 12.906 ( 7.472 9.033 -6.577) 13.442 13.006 ( -1.754 5.590 -3.086) 6.622 13.674 ( 6.704 0.736 -0.926) 6.807 13.812 ( -6.419 2.218 -11.603) 13.444 14.182 ( 2.005 -2.640 -4.344) 5.464 14.264 ( -4.978 -2.915 -10.494) 11.975 15.543 ( 2.529 3.001 0.946) 4.037 15.567 ( 0.231 2.026 -1.112) 2.322 15.916 ( 1.649 -7.445 -0.481) 7.641 15.935 ( -0.282 -8.217 -2.061) 8.476 16.371 ( 4.679 4.840 3.250) 7.475 16.430 ( -0.799 4.683 -3.115) 5.681 16.849 ( -1.565 13.186 2.924) 13.596 16.875 ( -4.432 11.907 0.277) 12.708 17.897 ( -0.257 -28.741 0.022) 28.742 17.900 ( -0.622 -28.457 -0.228) 28.465 18.117 ( 0.853 -22.137 -1.593) 22.210 18.122 ( 0.409 -22.180 -2.046) 22.278 19.789 ( 5.217 -4.342 16.817) 18.135 19.905 ( -5.824 -5.372 8.552) 11.658 20.572 ( 4.703 -10.587 -1.615) 11.697 20.695 ( -6.975 -10.969 -11.129) 17.113 21.988 ( -0.197 11.926 0.592) 11.943 22.002 ( -1.579 12.637 -0.874) 12.765 22.358 ( -0.207 13.523 1.092) 13.569 22.373 ( -1.651 14.396 -0.559) 14.502 23.294 ( 0.444 -1.857 0.401) 1.951 23.300 ( -0.138 -3.126 -0.251) 3.139 23.687 ( 2.879 -13.787 0.368) 14.089 23.696 ( 1.962 -14.409 -0.508) 14.550 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.000 21.689 0.007) 21.689 2.400 ( 0.000 19.177 -6.395) 20.216 2.514 ( 0.000 16.728 6.492) 17.943 2.642 ( 0.000 10.964 -7.062) 13.042 2.947 ( 0.000 6.733 -0.218) 6.736 2.953 ( 0.000 9.185 -1.068) 9.247 3.125 ( 0.000 -0.355 4.832) 4.845 3.209 ( 0.000 0.072 -4.292) 4.293 3.262 ( 0.000 1.732 5.635) 5.895 3.307 ( 0.000 6.664 3.754) 7.649 3.323 ( 0.000 8.690 4.098) 9.608 3.398 ( 0.000 0.413 -4.006) 4.027 3.513 ( 0.000 5.845 -3.256) 6.691 3.530 ( 0.000 3.992 -1.952) 4.443 3.887 ( 0.000 8.892 3.223) 9.458 3.915 ( 0.000 12.519 0.556) 12.531 4.095 ( 0.000 13.436 4.412) 14.142 4.150 ( 0.000 6.419 -1.425) 6.575 4.281 ( 0.000 14.339 14.025) 20.057 4.552 ( 0.000 12.163 -11.599) 16.807 4.605 ( 0.000 10.963 13.126) 17.103 4.852 ( 0.000 6.934 -11.324) 13.278 4.911 ( 0.000 5.294 -3.382) 6.282 4.939 ( 0.000 2.149 -5.702) 6.094 5.756 ( 0.000 1.648 0.904) 1.880 5.770 ( 0.000 -0.390 -0.898) 0.979 5.852 ( 0.000 0.295 4.618) 4.628 5.947 ( 0.000 2.693 -5.417) 6.050 6.818 ( 0.000 13.265 3.145) 13.632 6.856 ( 0.000 14.035 -0.846) 14.061 7.060 ( 0.000 12.074 1.537) 12.171 7.082 ( 0.000 13.776 -0.978) 13.811 7.121 ( 0.000 6.656 9.372) 11.495 7.314 ( 0.000 18.063 2.399) 18.222 7.342 ( 0.000 14.177 -6.230) 15.486 7.347 ( 0.000 12.705 0.086) 12.705 7.389 ( 0.000 8.200 -7.666) 11.225 7.412 ( 0.000 13.936 -4.141) 14.538 8.035 ( 0.000 3.786 7.372) 8.287 8.113 ( 0.000 9.125 -1.517) 9.250 8.772 ( 0.000 8.633 0.247) 8.636 8.775 ( 0.000 8.145 -1.009) 8.207 9.156 ( 0.000 6.911 7.848) 10.458 9.275 ( 0.000 7.794 -3.820) 8.679 9.366 ( 0.000 4.113 1.481) 4.372 9.434 ( 0.000 2.862 -5.566) 6.259 9.777 ( 0.000 -10.226 7.490) 12.676 9.906 ( 0.000 -11.026 8.227) 13.756 9.918 ( 0.000 -7.705 -6.980) 10.396 10.061 ( 0.000 -22.276 -7.477) 23.498 10.192 ( 0.000 -23.575 -2.219) 23.679 10.205 ( 0.000 -17.899 -3.418) 18.222 10.387 ( 0.000 -16.894 5.280) 17.700 10.448 ( 0.000 -8.183 -0.075) 8.183 10.793 ( 0.000 -7.152 11.339) 13.406 11.001 ( 0.000 -6.486 -8.423) 10.631 11.206 ( 0.000 -2.297 -0.747) 2.415 11.261 ( 0.000 1.636 -8.528) 8.684 11.531 ( 0.000 -4.091 15.365) 15.900 11.773 ( 0.000 -3.085 -9.970) 10.436 12.133 ( 0.000 1.572 25.723) 25.771 12.338 ( 0.000 7.563 3.256) 8.234 12.422 ( 0.000 4.386 -1.668) 4.693 12.508 ( 0.000 -0.935 -7.976) 8.031 12.641 ( 0.000 5.754 9.656) 11.240 12.817 ( 0.000 11.291 -8.863) 14.354 13.047 ( 0.000 16.980 2.679) 17.190 13.186 ( 0.000 9.475 -13.872) 16.799 13.504 ( 0.000 3.884 19.712) 20.091 13.966 ( 0.000 -0.051 -27.174) 27.174 14.244 ( 0.000 -0.729 3.598) 3.671 14.303 ( 0.000 -3.810 -1.439) 4.073 15.418 ( 0.000 -8.308 0.102) 8.309 15.508 ( 0.000 1.383 -9.410) 9.511 15.714 ( 0.000 -12.046 -2.054) 12.220 15.720 ( 0.000 -6.634 -5.959) 8.917 16.271 ( 0.000 -5.403 9.025) 10.519 16.462 ( 0.000 -1.777 -11.092) 11.233 16.833 ( 0.000 -25.452 2.525) 25.577 16.910 ( 0.000 -14.674 -4.606) 15.380 17.598 ( 0.000 -2.034 5.020) 5.417 17.660 ( 0.000 -6.285 1.636) 6.495 17.751 ( 0.000 -5.429 3.250) 6.328 17.816 ( 0.000 -5.983 -1.663) 6.209 19.651 ( 0.000 0.298 14.914) 14.917 19.940 ( 0.000 -3.906 -15.268) 15.760 20.266 ( 0.000 -10.423 23.868) 26.044 20.613 ( 0.000 -12.818 -13.402) 18.545 22.101 ( 0.000 1.826 2.864) 3.397 22.171 ( 0.000 1.528 -4.711) 4.953 22.587 ( 0.000 5.141 4.756) 7.004 22.664 ( 0.000 6.562 -3.483) 7.429 23.239 ( 0.000 -7.092 2.324) 7.463 23.279 ( 0.000 -9.683 -1.819) 9.852 23.365 ( 0.000 -1.334 0.455) 1.409 23.374 ( 0.000 0.170 -0.598) 0.622 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 1.735 20.134 2.316) 20.341 2.438 ( 3.811 17.715 -6.140) 19.133 2.521 ( 0.924 14.873 3.938) 15.414 2.608 ( -3.333 9.061 -5.308) 11.017 2.877 ( -7.964 6.277 2.686) 10.490 2.922 ( -3.364 7.885 -2.428) 8.910 3.032 ( -4.454 7.057 2.930) 8.845 3.087 ( -6.871 7.408 -2.165) 10.333 3.264 ( -0.282 3.909 1.822) 4.322 3.309 ( -0.353 4.256 -1.914) 4.680 3.381 ( 0.263 4.651 0.955) 4.755 3.401 ( -1.394 5.573 -1.797) 6.019 3.537 ( 6.544 4.603 4.443) 9.151 3.608 ( 7.078 3.086 -3.011) 8.288 3.987 ( 8.308 8.966 5.223) 13.292 4.029 ( 5.501 10.138 2.346) 11.771 4.064 ( -3.451 10.232 2.385) 11.059 4.143 ( 2.397 4.171 -2.623) 5.479 4.297 ( 1.629 15.651 14.144) 21.158 4.544 ( -2.855 12.865 -6.206) 14.566 4.589 ( 0.498 8.222 8.091) 11.546 4.826 ( -2.960 8.192 -11.890) 14.739 4.915 ( 0.486 5.159 -3.295) 6.140 4.948 ( 0.793 2.806 -5.700) 6.402 5.755 ( 0.042 0.302 1.252) 1.289 5.776 ( 0.280 0.656 -0.653) 0.968 5.854 ( 0.419 -0.187 3.174) 3.207 5.933 ( -1.167 2.120 -4.867) 5.436 6.841 ( 1.765 13.856 2.811) 14.248 6.869 ( 2.348 14.336 -0.299) 14.530 7.065 ( -0.855 16.712 3.155) 17.029 7.114 ( 1.522 17.056 -1.807) 17.218 7.185 ( 5.544 8.170 8.189) 12.828 7.300 ( -0.363 12.006 -1.281) 12.080 7.320 ( 0.957 9.086 0.266) 9.141 7.392 ( 0.613 13.714 -0.563) 13.739 7.433 ( 2.359 11.845 -2.885) 12.418 7.453 ( 7.325 8.624 -9.819) 14.981 7.969 ( -6.048 5.116 7.960) 11.230 8.072 ( -4.257 9.066 -3.116) 10.490 8.667 ( -8.103 12.901 2.194) 15.392 8.695 ( -7.512 11.230 -0.915) 13.542 9.139 ( -0.287 5.184 4.075) 6.600 9.228 ( -2.740 5.490 -5.093) 7.974 9.445 ( 6.281 2.969 3.182) 7.642 9.514 ( 5.035 2.506 -3.835) 6.807 9.806 ( 0.521 -19.953 5.701) 20.758 9.887 ( -0.067 -4.761 1.400) 4.963 9.986 ( 3.746 -15.881 -1.436) 16.380 10.047 ( 0.158 -17.711 -5.370) 18.508 10.181 ( -0.212 -21.018 1.253) 21.057 10.254 ( 1.478 -20.104 -5.670) 20.940 10.418 ( 4.828 -11.663 6.846) 14.360 10.518 ( 6.569 -6.143 -2.280) 9.278 10.852 ( 6.316 -7.446 9.245) 13.446 11.016 ( 2.675 -5.505 -5.617) 8.308 11.244 ( 2.730 -3.328 -0.024) 4.305 11.299 ( 2.777 0.293 -7.566) 8.065 11.519 ( -1.103 -2.909 13.778) 14.125 11.736 ( -4.014 -2.686 -8.679) 9.932 12.033 ( -9.076 1.772 20.836) 22.796 12.144 ( -16.508 4.155 2.947) 17.276 12.199 ( -13.567 6.505 -1.190) 15.092 12.392 ( -8.964 -0.206 -11.086) 14.258 12.771 ( 7.395 7.631 10.647) 15.043 12.961 ( 9.359 9.820 -8.196) 15.849 13.069 ( 1.457 14.304 4.849) 15.173 13.151 ( -2.425 9.753 -2.267) 10.302 13.581 ( 6.292 3.468 9.957) 12.279 13.957 ( -1.757 1.687 -22.828) 22.958 14.166 ( -4.407 -1.832 3.380) 5.848 14.297 ( -2.079 -1.877 -7.627) 8.125 15.451 ( 3.028 -7.328 1.157) 8.013 15.537 ( 2.092 -0.155 -7.106) 7.409 15.725 ( 1.131 -11.213 -3.148) 11.701 15.737 ( 1.373 -7.188 -6.052) 9.496 16.300 ( 2.865 -5.819 7.613) 10.001 16.462 ( -0.236 -2.913 -9.208) 9.661 16.827 ( -0.447 -23.000 1.660) 23.064 16.893 ( -1.601 -14.184 -4.325) 14.915 17.583 ( -1.085 -2.430 5.361) 5.985 17.640 ( -2.251 -2.134 -0.206) 3.109 17.745 ( 0.390 -8.912 6.190) 10.857 17.820 ( -0.129 -7.275 -2.017) 7.551 19.675 ( 2.352 0.066 14.672) 14.859 19.910 ( -2.934 -3.420 -5.914) 7.435 20.290 ( 2.460 -9.995 13.422) 16.914 20.573 ( -3.764 -12.212 -13.057) 18.270 22.111 ( 0.945 2.503 2.421) 3.608 22.169 ( -0.221 2.562 -3.874) 4.649 22.557 ( -2.423 4.142 4.256) 6.414 22.625 ( -3.473 5.195 -3.002) 6.932 23.242 ( 0.583 -4.005 1.929) 4.483 23.279 ( -0.146 -3.777 -1.989) 4.272 23.400 ( 3.235 -5.774 1.055) 6.702 23.416 ( 3.015 -4.299 -0.749) 5.304 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 3.848 14.008 6.397) 15.873 2.502 ( -3.840 8.822 4.429) 10.592 2.547 ( 4.408 14.924 -3.756) 16.008 2.584 ( 4.571 10.315 -7.940) 13.797 2.703 ( -6.739 12.992 2.628) 14.870 2.785 ( -9.455 8.524 -6.436) 14.264 2.985 ( -0.653 10.936 -0.312) 10.960 2.998 ( -1.924 12.172 -1.654) 12.434 3.274 ( 1.049 2.933 1.080) 3.297 3.296 ( -0.894 2.269 -1.050) 2.655 3.374 ( -0.370 8.900 0.979) 8.961 3.377 ( -0.513 8.513 0.410) 8.538 3.696 ( 7.702 2.299 4.410) 9.168 3.748 ( 4.638 1.426 -1.205) 4.999 3.961 ( -4.417 8.860 1.809) 10.064 3.984 ( -4.608 9.241 -0.773) 10.355 4.197 ( 9.394 7.179 8.217) 14.398 4.293 ( 7.957 6.376 0.651) 10.217 4.315 ( -1.071 12.332 11.127) 16.644 4.439 ( -6.616 7.840 3.301) 10.777 4.634 ( 3.707 10.100 -2.753) 11.106 4.734 ( -5.623 10.372 -8.598) 14.599 4.935 ( 1.347 4.539 -5.234) 7.058 4.955 ( -0.357 4.119 -6.326) 7.557 5.760 ( 0.456 -0.221 1.674) 1.749 5.772 ( -0.623 0.498 1.011) 1.288 5.875 ( 1.507 -0.292 -0.819) 1.739 5.906 ( -1.485 0.820 -3.486) 3.877 6.893 ( 3.755 15.812 3.961) 16.727 6.946 ( 3.127 17.844 -0.918) 18.139 7.008 ( -2.486 16.188 3.432) 16.734 7.079 ( -4.733 19.202 -3.249) 20.042 7.294 ( 4.502 9.514 2.557) 10.832 7.328 ( 2.513 8.424 -0.918) 8.839 7.358 ( 0.232 12.216 1.408) 12.299 7.387 ( -1.291 13.445 -0.830) 13.532 7.533 ( 8.885 3.421 3.345) 10.091 7.630 ( 6.412 5.172 -5.285) 9.788 7.828 ( -4.874 7.031 4.798) 9.809 7.937 ( -9.067 8.900 -5.287) 13.761 8.532 ( -3.584 17.737 2.157) 18.223 8.551 ( -5.092 17.417 0.290) 18.149 9.152 ( 1.235 3.768 -0.193) 3.970 9.183 ( -1.883 4.075 -3.379) 5.619 9.576 ( 5.881 -0.225 1.938) 6.196 9.604 ( 3.343 -0.947 -1.077) 3.637 9.781 ( -1.521 -16.405 3.818) 16.912 9.825 ( -5.302 -8.930 0.663) 10.406 10.057 ( 2.510 -19.505 -1.528) 19.726 10.070 ( 0.861 -17.854 -2.106) 17.998 10.185 ( 1.148 -23.549 -1.134) 23.604 10.232 ( -2.808 -20.165 -4.962) 20.956 10.581 ( 8.824 -4.659 7.479) 12.470 10.649 ( 3.307 -3.667 1.213) 5.085 11.051 ( 12.651 -7.341 4.611) 15.336 11.141 ( 8.507 -4.678 -2.953) 10.148 11.275 ( 0.422 -2.588 2.217) 3.434 11.337 ( 1.390 -2.744 -4.189) 5.197 11.453 ( -7.332 0.606 5.813) 9.376 11.542 ( -14.833 0.490 -3.256) 15.195 11.843 ( -5.034 0.793 10.515) 11.685 11.900 ( -7.128 0.957 9.406) 11.841 12.040 ( 1.049 3.695 -6.007) 7.130 12.186 ( -10.517 1.336 -12.143) 16.120 12.907 ( 6.396 9.733 12.952) 17.418 13.026 ( -5.084 10.844 11.166) 16.374 13.106 ( 4.581 9.487 -6.787) 12.532 13.146 ( 0.388 9.259 -1.580) 9.400 13.716 ( 6.994 3.237 2.961) 8.256 13.861 ( -7.066 2.717 -4.808) 8.968 14.150 ( 2.571 -0.399 -10.498) 10.816 14.227 ( -4.294 -0.481 -12.840) 13.548 15.519 ( 3.155 -5.789 1.480) 6.758 15.558 ( -0.455 -3.283 -1.733) 3.740 15.752 ( 1.190 -9.389 -5.636) 11.016 15.760 ( 0.544 -7.822 -6.639) 10.274 16.374 ( 4.005 -6.456 3.349) 8.302 16.440 ( -2.228 -5.449 -3.436) 6.816 16.826 ( 0.564 -17.407 -0.881) 17.438 16.853 ( -2.006 -14.087 -3.306) 14.608 17.569 ( -0.009 -1.999 4.855) 5.251 17.590 ( -2.081 -0.906 2.671) 3.505 17.769 ( 1.713 -10.399 3.595) 11.135 17.803 ( -1.475 -9.361 -0.113) 9.477 19.742 ( 4.109 -0.712 13.059) 13.709 19.831 ( -4.549 -2.065 7.157) 8.728 20.365 ( 4.920 -9.887 -2.218) 11.264 20.475 ( -5.615 -10.865 -10.463) 16.095 22.136 ( 1.434 3.770 1.059) 4.170 22.160 ( -0.799 4.020 -1.498) 4.364 22.522 ( -0.377 2.875 1.995) 3.519 22.552 ( -3.100 3.314 -1.148) 4.681 23.259 ( 0.942 -1.039 0.599) 1.525 23.273 ( -0.444 -0.574 -0.890) 1.148 23.458 ( 1.952 -8.718 0.521) 8.949 23.465 ( 1.312 -8.009 -0.173) 8.118 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.000 4.147 -0.604) 4.190 2.648 ( 0.000 3.765 -1.894) 4.215 2.806 ( 0.000 10.509 -0.161) 10.510 2.817 ( 0.000 14.757 -1.183) 14.804 3.072 ( 0.000 5.262 2.044) 5.645 3.122 ( 0.000 4.496 -1.442) 4.721 3.141 ( 0.000 3.070 4.021) 5.059 3.216 ( 0.000 0.864 -1.526) 1.754 3.299 ( 0.000 3.911 3.235) 5.075 3.379 ( 0.000 0.617 -5.247) 5.283 3.448 ( 0.000 5.687 5.366) 7.819 3.489 ( 0.000 7.156 2.066) 7.448 3.603 ( 0.000 3.128 -0.233) 3.136 3.629 ( 0.000 5.125 -2.667) 5.777 3.997 ( 0.000 1.085 4.565) 4.692 4.059 ( 0.000 1.593 -2.509) 2.972 4.281 ( 0.000 8.188 1.363) 8.301 4.304 ( 0.000 9.809 -1.046) 9.864 4.597 ( 0.000 14.967 13.125) 19.907 4.740 ( 0.000 8.795 3.291) 9.390 4.838 ( 0.000 9.319 2.681) 9.697 4.948 ( 0.000 3.322 -2.477) 4.144 5.030 ( 0.000 6.152 -9.025) 10.923 5.033 ( 0.000 6.041 -10.272) 11.917 5.745 ( 0.000 -0.809 0.754) 1.106 5.762 ( 0.000 0.212 -0.925) 0.949 5.921 ( 0.000 5.518 5.125) 7.530 6.031 ( 0.000 4.678 -6.431) 7.952 6.990 ( 0.000 5.338 2.888) 6.069 7.023 ( 0.000 4.487 -0.615) 4.529 7.191 ( 0.000 3.349 13.976) 14.371 7.288 ( 0.000 10.929 0.644) 10.947 7.310 ( 0.000 11.040 -1.813) 11.188 7.508 ( 0.000 5.605 -18.071) 18.921 7.564 ( 0.000 8.054 3.330) 8.715 7.577 ( 0.000 4.556 6.571) 7.996 7.645 ( 0.000 10.713 -3.112) 11.156 7.687 ( 0.000 12.857 -4.368) 13.579 8.113 ( 0.000 4.139 8.685) 9.621 8.263 ( 0.000 4.594 -6.319) 7.812 8.981 ( 0.000 8.084 0.671) 8.112 9.005 ( 0.000 12.001 -1.146) 12.055 9.207 ( 0.000 -12.237 0.519) 12.248 9.241 ( 0.000 -17.767 -5.164) 18.502 9.393 ( 0.000 -6.593 0.192) 6.596 9.405 ( 0.000 -2.413 -1.427) 2.803 9.427 ( 0.000 -19.408 5.609) 20.203 9.506 ( 0.000 3.470 0.165) 3.474 9.704 ( 0.000 -5.682 -1.741) 5.943 9.752 ( 0.000 -1.876 -4.859) 5.209 10.070 ( 0.000 -0.086 3.213) 3.214 10.072 ( 0.000 3.883 1.912) 4.328 10.419 ( 0.000 2.828 1.685) 3.292 10.427 ( 0.000 8.582 -1.080) 8.650 10.657 ( 0.000 -5.533 11.411) 12.682 10.845 ( 0.000 -8.195 -8.004) 11.455 11.170 ( 0.000 -1.258 0.084) 1.261 11.267 ( 0.000 -1.348 -9.864) 9.956 11.456 ( 0.000 -3.805 14.899) 15.377 11.675 ( 0.000 -6.436 -8.223) 10.442 12.116 ( 0.000 -3.181 18.347) 18.621 12.370 ( 0.000 -9.035 -8.348) 12.302 12.526 ( 0.000 7.379 -0.199) 7.382 12.532 ( 0.000 5.930 -0.817) 5.986 12.795 ( 0.000 10.768 16.472) 19.679 13.025 ( 0.000 10.622 -8.582) 13.656 13.381 ( 0.000 15.669 1.334) 15.726 13.428 ( 0.000 12.719 -3.233) 13.124 13.593 ( 0.000 5.244 14.836) 15.736 13.962 ( 0.000 -0.130 -21.687) 21.687 14.226 ( 0.000 -3.609 4.203) 5.540 14.250 ( 0.000 1.210 1.074) 1.618 15.206 ( 0.000 -12.314 6.739) 14.037 15.433 ( 0.000 -16.248 4.000) 16.733 15.472 ( 0.000 -7.507 -21.744) 23.003 15.568 ( 0.000 -8.921 -11.709) 14.720 16.024 ( 0.000 -18.289 14.749) 23.495 16.335 ( 0.000 -17.036 7.786) 18.731 16.339 ( 0.000 -10.213 -18.335) 20.988 16.565 ( 0.000 -15.019 -14.696) 21.013 17.620 ( 0.000 2.670 11.571) 11.875 17.662 ( 0.000 5.106 6.004) 7.882 17.777 ( 0.000 3.375 0.480) 3.408 17.789 ( 0.000 1.623 -1.205) 2.022 19.677 ( 0.000 2.047 9.616) 9.831 19.873 ( 0.000 -2.844 -10.866) 11.232 20.111 ( 0.000 -5.205 17.140) 17.913 20.377 ( 0.000 -10.608 -11.042) 15.312 22.122 ( 0.000 0.687 2.340) 2.438 22.179 ( 0.000 -0.216 -3.801) 3.807 22.579 ( 0.000 -5.001 5.048) 7.105 22.661 ( 0.000 -6.075 -3.688) 7.106 23.143 ( 0.000 -1.704 0.747) 1.861 23.156 ( 0.000 -1.860 -0.563) 1.944 23.367 ( 0.000 0.467 1.209) 1.296 23.390 ( 0.000 0.429 -1.160) 1.237 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -0.535 3.730 2.304) 4.417 2.683 ( 2.257 3.829 -4.250) 6.149 2.761 ( -3.528 12.988 2.263) 13.647 2.814 ( -0.709 13.581 -3.075) 13.942 2.990 ( -4.197 5.282 2.594) 7.228 3.044 ( -4.944 4.625 -2.827) 7.337 3.178 ( 0.152 6.291 4.879) 7.963 3.251 ( -1.021 8.089 -1.327) 8.260 3.313 ( 2.194 0.831 -0.907) 2.516 3.342 ( -1.034 0.944 -2.970) 3.283 3.481 ( 1.905 3.543 3.860) 5.575 3.509 ( 1.192 5.989 1.462) 6.279 3.639 ( 2.934 4.163 0.489) 5.117 3.665 ( 4.850 3.408 -1.323) 6.073 4.033 ( 2.327 -2.622 6.254) 7.170 4.117 ( 3.208 -2.086 -2.101) 4.365 4.253 ( -1.511 10.036 2.084) 10.361 4.294 ( 1.002 10.876 -1.935) 11.092 4.593 ( -1.159 12.193 11.482) 16.788 4.739 ( -7.405 6.653 0.234) 9.958 4.773 ( 2.799 10.260 6.293) 12.357 4.980 ( -0.373 8.090 -9.357) 12.375 5.025 ( 1.956 4.400 -5.304) 7.164 5.057 ( 1.157 7.047 -7.378) 10.268 5.746 ( 0.431 0.041 1.675) 1.730 5.783 ( 1.729 0.166 -2.275) 2.862 5.902 ( -1.724 4.543 4.690) 6.753 6.000 ( -2.744 3.841 -5.726) 7.421 7.030 ( 3.342 6.259 2.937) 7.679 7.045 ( 3.132 5.250 0.783) 6.163 7.262 ( 5.691 2.327 9.901) 11.655 7.309 ( 1.140 8.618 3.263) 9.285 7.349 ( 1.951 9.358 -1.128) 9.626 7.472 ( -2.402 7.364 2.189) 8.050 7.551 ( 1.358 8.595 -7.688) 11.611 7.586 ( -0.243 7.312 -9.076) 11.657 7.657 ( 2.359 7.822 2.019) 8.416 7.713 ( 0.880 11.287 -2.752) 11.651 8.082 ( -2.817 6.756 8.001) 10.844 8.228 ( -3.597 5.445 -6.687) 9.344 8.949 ( -2.032 12.255 2.207) 12.616 8.995 ( -1.281 15.535 -1.895) 15.702 9.203 ( 0.314 -11.121 2.711) 11.451 9.271 ( 1.923 -14.356 -5.776) 15.594 9.351 ( -3.883 -5.928 1.734) 7.295 9.397 ( -0.744 -10.786 -1.443) 10.908 9.410 ( -1.387 -19.638 2.684) 19.869 9.489 ( -1.839 -0.428 -4.266) 4.665 9.682 ( 1.386 -1.812 5.450) 5.908 9.831 ( 5.342 -3.414 -8.734) 10.792 10.019 ( -4.132 -1.749 6.958) 8.279 10.134 ( 1.847 0.070 -4.050) 4.452 10.450 ( 6.089 6.779 6.229) 11.037 10.544 ( 8.402 6.240 -2.768) 10.826 10.710 ( 5.825 -6.089 9.956) 13.043 10.885 ( 4.484 -7.311 -7.356) 11.299 11.194 ( 2.166 -1.770 1.374) 3.116 11.290 ( 1.295 -1.631 -8.115) 8.378 11.460 ( 0.509 -3.438 12.493) 12.967 11.649 ( -2.368 -5.980 -7.425) 9.824 12.028 ( -8.139 -2.228 16.935) 18.921 12.248 ( -16.598 2.424 -2.970) 17.035 12.311 ( -10.173 0.916 -2.532) 10.524 12.339 ( -13.995 2.778 -4.753) 15.039 12.939 ( 8.914 9.832 15.102) 20.104 13.140 ( 7.954 9.015 -5.859) 13.374 13.359 ( -2.979 13.368 3.409) 14.114 13.383 ( -2.451 11.802 0.723) 12.076 13.674 ( 6.228 5.991 9.969) 13.193 13.991 ( 1.001 1.655 -16.499) 16.612 14.143 ( -3.488 -0.352 3.545) 4.985 14.278 ( -0.176 0.090 -6.252) 6.255 15.242 ( 3.213 -12.831 7.150) 15.036 15.415 ( -1.321 -14.601 2.270) 14.835 15.514 ( 3.146 -10.176 -18.524) 21.367 15.580 ( 1.007 -9.298 -12.508) 15.618 16.053 ( 2.808 -17.292 14.064) 22.465 16.284 ( -2.755 -12.393 0.416) 12.702 16.396 ( 3.133 -14.734 -10.089) 18.130 16.553 ( -1.160 -14.981 -14.417) 20.824 17.621 ( 0.198 3.519 10.841) 11.400 17.669 ( 0.640 4.482 4.994) 6.741 17.745 ( -2.656 3.844 2.442) 5.272 17.776 ( -1.417 1.269 -0.762) 2.049 19.698 ( 2.074 2.054 9.574) 10.009 19.863 ( -1.216 -1.374 -5.119) 5.438 20.127 ( 1.722 -6.379 10.368) 12.294 20.347 ( -2.854 -10.270 -10.517) 14.974 22.137 ( 1.436 0.697 2.121) 2.654 22.188 ( 0.778 0.038 -3.393) 3.481 22.540 ( -3.188 -4.859 4.427) 7.306 22.609 ( -4.350 -5.673 -3.046) 7.770 23.184 ( 3.377 -1.228 0.777) 3.676 23.199 ( 3.557 -1.982 -0.818) 4.153 23.363 ( -0.399 -0.257 1.223) 1.311 23.385 ( -0.528 -0.389 -1.035) 1.226 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 1.194 6.325 4.636) 7.933 2.671 ( -3.239 9.298 3.464) 10.437 2.752 ( 2.835 6.215 -5.291) 8.640 2.795 ( -1.203 9.587 -5.822) 11.281 2.933 ( -1.348 9.758 1.624) 9.984 2.954 ( -3.482 8.716 -0.566) 9.403 3.168 ( 0.191 6.734 1.369) 6.874 3.199 ( -2.746 7.216 -1.730) 7.913 3.341 ( 1.279 3.237 0.468) 3.512 3.354 ( 0.205 4.481 -0.654) 4.533 3.506 ( 0.811 3.266 1.017) 3.516 3.517 ( -0.274 4.722 0.090) 4.731 3.736 ( 5.434 2.146 3.451) 6.786 3.771 ( 3.428 1.463 -0.001) 3.727 4.030 ( -1.082 -2.682 3.149) 4.276 4.081 ( -4.953 -1.298 -2.058) 5.519 4.329 ( 8.207 8.207 5.508) 12.847 4.390 ( 6.336 6.298 0.229) 8.936 4.526 ( -5.528 8.426 7.284) 12.435 4.568 ( -8.273 5.621 4.788) 11.089 4.854 ( 4.574 11.448 -0.472) 12.337 4.937 ( -3.375 9.882 -7.409) 12.804 5.065 ( 1.368 6.951 -5.440) 8.932 5.076 ( 0.431 6.785 -6.551) 9.441 5.768 ( 1.829 1.443 2.611) 3.499 5.804 ( -0.777 2.492 0.072) 2.612 5.883 ( 1.100 1.173 0.086) 1.610 5.936 ( -3.349 1.918 -4.280) 5.763 7.111 ( 5.167 7.570 4.565) 10.239 7.157 ( 6.856 5.490 -0.673) 8.809 7.231 ( -5.746 7.767 5.275) 11.008 7.297 ( -5.660 5.551 -0.317) 7.934 7.431 ( 7.683 1.215 4.823) 9.152 7.512 ( 2.186 8.008 0.257) 8.305 7.560 ( 1.188 11.206 -1.391) 11.355 7.581 ( -2.689 4.666 -0.997) 5.477 7.707 ( 2.049 7.877 -1.171) 8.223 7.734 ( 1.122 6.987 -4.897) 8.606 8.039 ( 0.476 12.346 2.164) 12.543 8.124 ( -6.175 9.088 -5.932) 12.487 8.931 ( 0.508 19.584 3.010) 19.821 8.960 ( -1.946 21.288 0.467) 21.382 9.218 ( 1.037 -7.039 2.440) 7.522 9.257 ( -3.026 -6.577 -0.512) 7.258 9.321 ( 1.538 -21.100 -1.106) 21.185 9.362 ( -2.240 -21.574 -1.879) 21.772 9.408 ( 1.385 -9.773 -2.665) 10.224 9.448 ( -2.141 -6.040 -6.308) 8.992 9.761 ( 5.851 -2.113 9.638) 11.471 9.894 ( -6.271 -3.026 9.995) 12.182 9.961 ( 6.028 -3.088 -10.257) 12.291 10.089 ( -5.481 -2.846 -9.791) 11.577 10.612 ( 6.969 4.720 8.343) 11.851 10.664 ( 1.934 3.100 4.236) 5.594 10.914 ( 12.464 -5.916 2.854) 14.089 11.018 ( 5.444 -7.597 -6.326) 11.286 11.246 ( 3.305 -1.024 1.865) 3.931 11.304 ( 1.490 -1.413 -3.097) 3.716 11.455 ( -2.181 -1.105 5.303) 5.839 11.549 ( -9.044 -1.196 -4.379) 10.119 11.859 ( -4.992 0.884 11.837) 12.877 11.930 ( -10.928 3.216 5.329) 12.576 12.089 ( -4.497 2.039 -5.465) 7.365 12.154 ( -7.856 -3.773 -9.372) 12.798 13.105 ( 7.736 9.984 14.557) 19.273 13.243 ( -4.349 10.091 8.784) 14.067 13.287 ( 2.949 9.110 -2.051) 9.792 13.350 ( -2.009 10.016 -1.257) 10.293 13.802 ( 6.294 5.539 7.669) 11.363 13.926 ( -5.939 3.852 4.254) 8.259 14.166 ( 3.976 1.832 -14.069) 14.735 14.242 ( -3.124 1.729 -13.329) 13.799 15.316 ( 3.672 -13.855 7.096) 15.994 15.378 ( -2.457 -14.472 5.217) 15.578 15.572 ( 2.199 -11.359 -17.392) 20.889 15.594 ( -0.009 -10.536 -14.924) 18.268 16.130 ( 4.567 -14.625 11.082) 18.909 16.218 ( -3.921 -12.435 5.903) 14.313 16.460 ( 3.180 -15.114 -12.658) 19.970 16.517 ( -2.397 -14.994 -13.793) 20.514 17.635 ( 1.327 4.845 8.750) 10.089 17.672 ( -1.691 5.616 4.525) 7.408 17.704 ( 0.461 1.899 4.382) 4.798 17.738 ( -2.123 1.304 0.921) 2.656 19.754 ( 3.291 1.856 8.646) 9.435 19.820 ( -2.970 0.857 4.341) 5.329 20.184 ( 3.919 -8.231 -1.445) 9.230 20.271 ( -4.408 -9.434 -8.094) 13.189 22.174 ( 1.912 0.763 1.061) 2.316 22.198 ( -0.212 0.611 -1.540) 1.670 22.490 ( -0.824 -4.998 2.087) 5.478 22.522 ( -3.618 -5.229 -1.231) 6.477 23.250 ( 2.653 -0.083 0.458) 2.694 23.262 ( 1.876 -0.386 -0.863) 2.100 23.354 ( -0.216 -2.498 0.972) 2.689 23.367 ( -1.154 -2.436 -0.492) 2.740 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 -2.525 0.770) 2.640 2.635 ( 0.000 -2.803 -1.562) 3.208 3.018 ( 0.000 8.413 0.798) 8.451 3.052 ( 0.000 8.103 -2.716) 8.546 3.132 ( 0.000 1.261 3.621) 3.834 3.151 ( 0.000 0.790 3.969) 4.047 3.180 ( 0.000 -0.076 -1.972) 1.973 3.213 ( 0.000 -1.661 -2.304) 2.841 3.436 ( 0.000 8.135 0.443) 8.147 3.449 ( 0.000 6.279 -1.118) 6.378 3.549 ( 0.000 3.865 3.753) 5.388 3.590 ( 0.000 2.480 0.711) 2.579 3.649 ( 0.000 1.351 2.561) 2.895 3.692 ( 0.000 0.617 -0.923) 1.110 3.969 ( 0.000 -2.168 1.920) 2.896 4.022 ( 0.000 -3.809 -3.752) 5.347 4.449 ( 0.000 7.352 1.964) 7.610 4.476 ( 0.000 6.479 -0.761) 6.523 4.838 ( 0.000 8.979 9.455) 13.039 4.900 ( 0.000 6.638 5.469) 8.601 4.956 ( 0.000 2.931 2.242) 3.690 5.001 ( 0.000 1.637 0.063) 1.639 5.133 ( 0.000 3.638 -10.100) 10.735 5.135 ( 0.000 3.839 -10.308) 11.000 5.757 ( 0.000 1.766 1.106) 2.084 5.781 ( 0.000 1.297 -1.405) 1.913 6.033 ( 0.000 5.022 2.761) 5.731 6.103 ( 0.000 2.092 -4.553) 5.011 7.062 ( 0.000 2.360 1.128) 2.615 7.076 ( 0.000 1.433 -0.172) 1.443 7.278 ( 0.000 6.142 12.651) 14.063 7.493 ( 0.000 8.381 0.099) 8.382 7.498 ( 0.000 5.981 -1.722) 6.224 7.552 ( 0.000 -3.779 8.481) 9.285 7.558 ( 0.000 -1.066 -15.162) 15.199 7.648 ( 0.000 -0.742 -0.687) 1.011 7.837 ( 0.000 4.584 -4.551) 6.459 7.837 ( 0.000 7.989 -3.552) 8.743 8.173 ( 0.000 1.079 3.534) 3.695 8.262 ( 0.000 -3.954 -6.365) 7.494 8.868 ( 0.000 -4.529 7.313) 8.602 8.899 ( 0.000 -15.220 2.119) 15.367 8.924 ( 0.000 -11.452 -2.592) 11.741 9.012 ( 0.000 -8.965 -6.102) 10.844 9.379 ( 0.000 11.446 0.910) 11.482 9.411 ( 0.000 9.814 -1.894) 9.995 9.554 ( 0.000 6.156 3.550) 7.106 9.613 ( 0.000 3.830 -2.737) 4.707 9.733 ( 0.000 3.333 1.843) 3.809 9.804 ( 0.000 2.664 -4.158) 4.938 10.059 ( 0.000 -1.286 2.340) 2.670 10.084 ( 0.000 -2.135 0.113) 2.138 10.515 ( 0.000 3.883 3.539) 5.254 10.566 ( 0.000 2.377 -2.905) 3.753 10.637 ( 0.000 5.134 7.113) 8.772 10.744 ( 0.000 0.419 -4.142) 4.163 11.143 ( 0.000 -1.525 -1.146) 1.908 11.204 ( 0.000 -4.613 -6.952) 8.343 11.393 ( 0.000 -1.917 9.744) 9.930 11.533 ( 0.000 -7.412 -5.200) 9.054 12.045 ( 0.000 -2.717 11.245) 11.569 12.168 ( 0.000 -9.347 -1.650) 9.491 12.632 ( 0.000 3.689 -0.079) 3.690 12.643 ( 0.000 3.671 -1.299) 3.894 13.046 ( 0.000 12.936 14.821) 19.673 13.215 ( 0.000 6.899 -4.552) 8.265 13.656 ( 0.000 11.061 1.820) 11.210 13.669 ( 0.000 11.086 0.019) 11.086 13.718 ( 0.000 7.715 9.157) 11.974 13.941 ( 0.000 -2.544 -9.697) 10.025 14.182 ( 0.000 -0.258 5.974) 5.980 14.277 ( 0.000 0.578 -3.083) 3.137 14.975 ( 0.000 -9.006 10.064) 13.505 15.101 ( 0.000 -15.018 9.087) 17.553 15.180 ( 0.000 -17.304 -7.829) 18.993 15.289 ( 0.000 -20.351 -8.004) 21.869 15.786 ( 0.000 -0.752 4.572) 4.633 16.098 ( 0.000 -12.268 -23.431) 26.448 16.208 ( 0.000 0.376 -4.285) 4.302 16.362 ( 0.000 -6.633 -16.729) 17.996 17.704 ( 0.000 4.440 10.377) 11.286 17.748 ( 0.000 2.934 6.513) 7.143 17.830 ( 0.000 1.798 0.177) 1.807 17.832 ( 0.000 1.923 1.549) 2.469 19.725 ( 0.000 2.641 4.583) 5.289 19.823 ( 0.000 -2.305 -5.618) 6.072 20.055 ( 0.000 -0.510 9.056) 9.070 20.197 ( 0.000 -7.351 -5.862) 9.402 22.140 ( 0.000 1.220 1.653) 2.054 22.176 ( 0.000 -0.055 -2.171) 2.171 22.459 ( 0.000 -5.439 2.954) 6.189 22.508 ( 0.000 -7.401 -2.297) 7.749 23.140 ( 0.000 0.576 0.580) 0.818 23.151 ( 0.000 0.277 -0.583) 0.646 23.375 ( 0.000 0.323 0.876) 0.934 23.390 ( 0.000 -0.313 -0.701) 0.768 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 2.671 -0.061 2.277) 3.510 2.687 ( 4.300 -1.776 -3.261) 5.681 2.984 ( -4.711 7.754 1.524) 9.200 3.025 ( -3.298 6.397 -2.464) 7.607 3.082 ( -0.577 4.040 1.947) 4.522 3.114 ( -1.139 3.096 -1.109) 3.480 3.230 ( 2.785 -0.490 2.959) 4.093 3.283 ( 3.063 -2.601 -2.770) 4.880 3.406 ( -1.925 7.292 0.896) 7.594 3.417 ( -1.493 6.098 0.250) 6.283 3.546 ( -1.242 2.049 3.290) 4.070 3.586 ( -0.813 1.101 -0.167) 1.379 3.687 ( 3.783 1.722 2.911) 5.075 3.728 ( 3.606 1.432 -1.156) 4.048 3.966 ( -0.585 -2.711 2.941) 4.042 4.032 ( 0.054 -5.043 -3.726) 6.270 4.440 ( 0.137 7.699 2.568) 8.117 4.474 ( 0.536 6.423 -0.731) 6.487 4.774 ( -4.777 6.328 8.378) 11.535 4.831 ( -8.046 2.886 4.450) 9.638 4.968 ( 4.629 8.323 2.214) 9.778 5.090 ( 4.243 1.803 -2.998) 5.500 5.127 ( 0.530 5.813 -8.420) 10.246 5.166 ( 1.671 3.644 -7.855) 8.819 5.768 ( 1.208 1.891 1.158) 2.525 5.796 ( 1.790 0.881 -1.835) 2.711 6.000 ( -3.127 4.649 2.518) 6.143 6.063 ( -3.731 1.989 -4.069) 5.868 7.108 ( 4.536 2.358 1.320) 5.280 7.123 ( 4.200 2.463 -0.032) 4.870 7.310 ( 2.887 3.982 10.965) 12.018 7.450 ( -3.056 4.533 1.986) 5.817 7.471 ( -3.768 2.311 0.003) 4.420 7.556 ( 0.980 -0.162 3.675) 3.807 7.600 ( 2.093 -0.781 -11.324) 11.542 7.661 ( 1.025 -2.110 -3.831) 4.492 7.825 ( 1.138 9.360 -1.126) 9.496 7.874 ( 2.129 7.598 -4.893) 9.284 8.184 ( 0.845 1.767 2.920) 3.516 8.257 ( -0.644 -2.391 -5.390) 5.932 8.883 ( 1.417 -5.568 6.602) 8.752 8.913 ( 1.197 -14.046 2.530) 14.323 8.940 ( 1.528 -11.290 -2.257) 11.615 9.015 ( 0.175 -9.585 -5.276) 10.942 9.360 ( -1.670 12.318 1.758) 12.555 9.397 ( -1.694 11.958 -1.444) 12.164 9.533 ( -1.355 6.579 3.288) 7.478 9.603 ( -1.218 5.049 -3.630) 6.337 9.735 ( 0.435 3.679 2.948) 4.735 9.819 ( 1.652 0.233 -5.016) 5.286 9.988 ( -5.076 -1.475 4.791) 7.134 10.087 ( -1.548 -4.575 -4.996) 6.949 10.588 ( 7.157 3.907 4.740) 9.432 10.666 ( 4.036 4.645 3.058) 6.871 10.670 ( 7.533 1.912 0.381) 7.781 10.778 ( 3.228 -0.319 -4.533) 5.574 11.156 ( 1.724 -2.078 0.503) 2.746 11.226 ( 1.611 -4.543 -6.060) 7.743 11.396 ( 0.288 -2.424 8.019) 8.382 11.514 ( -1.601 -7.062 -4.545) 8.550 11.984 ( -5.311 -1.100 11.374) 12.601 12.119 ( -4.416 -7.884 -2.834) 9.470 12.417 ( -17.583 5.380 0.089) 18.388 12.439 ( -16.222 4.002 -2.108) 16.840 13.149 ( 7.283 10.517 14.395) 19.258 13.298 ( 6.140 5.520 -2.288) 8.568 13.573 ( -5.804 8.309 4.744) 11.191 13.601 ( -4.290 8.871 0.648) 9.875 13.826 ( 6.491 9.052 6.781) 13.041 14.011 ( 4.556 0.553 -6.254) 7.758 14.159 ( -0.874 2.040 3.661) 4.281 14.293 ( 0.641 0.402 -6.370) 6.414 14.993 ( 1.613 -10.069 10.127) 14.372 15.091 ( -0.893 -14.777 8.835) 17.239 15.202 ( 1.940 -17.756 -7.189) 19.254 15.288 ( -0.143 -20.051 -8.069) 21.614 15.842 ( 5.229 -0.648 3.340) 6.239 16.127 ( 2.637 -10.668 -21.817) 24.429 16.187 ( -2.042 -0.765 -4.482) 4.984 16.346 ( -1.719 -7.065 -16.995) 18.485 17.708 ( 0.426 4.322 9.743) 10.667 17.749 ( 0.210 2.828 5.820) 6.474 17.810 ( -2.001 2.351 2.742) 4.129 17.816 ( -1.268 1.876 0.709) 2.373 19.750 ( 2.370 2.968 4.778) 6.104 19.844 ( 1.748 -0.979 -4.726) 5.134 20.041 ( -1.113 -1.905 7.588) 7.902 20.170 ( -2.569 -7.378 -5.678) 9.658 22.154 ( 1.398 1.220 1.553) 2.420 22.188 ( 1.184 0.146 -2.129) 2.440 22.424 ( -2.989 -5.343 2.774) 6.722 22.469 ( -3.471 -6.937 -2.023) 8.016 23.178 ( 3.322 0.284 0.529) 3.376 23.188 ( 3.276 0.015 -0.544) 3.321 23.363 ( -1.203 0.118 0.840) 1.472 23.377 ( -1.280 -0.465 -0.656) 1.512 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 5.752 3.966 2.969) 7.592 2.788 ( 4.877 1.957 -3.519) 6.324 2.864 ( -5.763 5.321 1.691) 8.024 2.922 ( -6.067 3.225 -3.878) 7.889 3.100 ( 1.617 7.293 1.636) 7.647 3.119 ( 0.169 7.353 -0.249) 7.359 3.251 ( 0.352 1.702 0.937) 1.975 3.282 ( -2.340 1.230 -2.406) 3.575 3.405 ( 2.073 3.361 2.640) 4.750 3.431 ( 0.917 2.477 0.448) 2.679 3.515 ( -0.479 -1.242 2.885) 3.177 3.550 ( -2.549 -1.319 -0.369) 2.894 3.780 ( 4.785 2.204 2.416) 5.795 3.814 ( 3.271 2.087 -1.025) 4.014 3.938 ( -1.121 -4.291 2.426) 5.055 3.990 ( -4.130 -5.416 -2.733) 7.339 4.494 ( 5.354 7.057 3.962) 9.704 4.525 ( 4.400 5.677 1.054) 7.259 4.656 ( -7.092 4.545 5.128) 9.862 4.665 ( -7.187 3.820 5.021) 9.563 5.057 ( 3.875 8.346 -1.491) 9.322 5.111 ( -1.269 7.031 -6.109) 9.401 5.170 ( 2.161 3.192 -4.254) 5.741 5.188 ( 0.276 3.787 -6.053) 7.145 5.814 ( 3.488 2.790 1.764) 4.802 5.854 ( 2.977 1.795 -2.351) 4.196 5.922 ( -3.487 2.635 1.799) 4.727 5.970 ( -5.033 1.152 -3.211) 6.080 7.224 ( 5.770 3.672 1.946) 7.111 7.230 ( 6.769 2.469 0.571) 7.228 7.330 ( -3.722 2.781 2.888) 5.471 7.362 ( -5.530 1.681 3.656) 6.840 7.439 ( 3.104 1.605 4.901) 6.019 7.526 ( -3.882 -2.422 5.498) 7.153 7.637 ( 1.918 -2.148 -11.163) 11.528 7.669 ( -0.796 -3.995 -7.791) 8.792 7.883 ( 3.523 12.223 0.011) 12.721 7.914 ( 0.932 11.177 -3.113) 11.639 8.203 ( 1.181 2.262 0.678) 2.641 8.234 ( -1.638 0.538 -2.911) 3.383 8.916 ( 1.623 -8.507 5.167) 10.085 8.932 ( 0.275 -11.738 3.684) 12.306 8.979 ( 2.065 -11.013 -2.254) 11.429 9.010 ( -0.857 -10.757 -3.490) 11.342 9.330 ( -0.710 14.857 2.306) 15.052 9.348 ( -2.396 15.254 1.257) 15.493 9.530 ( 1.230 7.408 -0.417) 7.521 9.568 ( -2.098 7.256 -3.622) 8.377 9.763 ( 2.658 1.229 4.910) 5.717 9.835 ( -2.842 -2.258 3.632) 5.135 9.925 ( 2.019 -2.089 -5.006) 5.787 10.016 ( -5.055 -4.919 -8.347) 10.928 10.719 ( 2.605 2.252 5.972) 6.893 10.721 ( 2.933 5.331 5.832) 8.428 10.847 ( 6.318 -1.078 -2.911) 7.039 10.870 ( 4.618 -6.220 -5.348) 9.413 11.222 ( 4.451 -0.984 1.677) 4.857 11.264 ( 2.116 -2.032 -2.114) 3.616 11.401 ( 0.517 -4.083 3.789) 5.594 11.469 ( -3.747 -6.284 -3.044) 7.924 11.899 ( -0.714 3.359 8.737) 9.387 12.007 ( -7.879 1.659 -2.096) 8.320 12.093 ( -9.135 -0.032 0.445) 9.146 12.132 ( -11.012 1.747 -3.517) 11.692 13.296 ( 7.285 8.797 12.994) 17.301 13.409 ( 3.014 5.603 2.152) 6.717 13.449 ( -4.712 6.925 6.367) 10.521 13.514 ( -4.367 5.691 0.390) 7.184 13.944 ( 5.100 8.798 7.683) 12.746 14.026 ( -2.746 6.771 7.045) 10.150 14.205 ( 4.498 1.122 -10.008) 11.030 14.278 ( -2.281 0.900 -10.450) 10.734 15.031 ( 1.940 -12.183 10.078) 15.930 15.066 ( -1.571 -13.912 9.452) 16.892 15.246 ( 2.094 -18.516 -7.274) 20.003 15.278 ( -1.033 -19.299 -7.890) 20.875 15.973 ( 7.170 -0.411 0.435) 7.195 16.102 ( -5.210 -0.008 -2.883) 5.955 16.212 ( 4.193 -10.214 -19.571) 22.471 16.293 ( -3.510 -8.355 -18.032) 20.181 17.725 ( 1.372 3.933 7.979) 9.001 17.760 ( 0.796 2.494 4.131) 4.891 17.764 ( -2.248 3.256 5.374) 6.673 17.785 ( -1.565 2.162 2.175) 3.444 19.811 ( 3.320 3.693 4.634) 6.792 19.861 ( -0.958 3.050 0.834) 3.304 20.039 ( 1.728 -6.223 0.695) 6.496 20.103 ( -3.827 -7.446 -4.510) 9.509 22.191 ( 1.983 1.394 0.894) 2.583 22.211 ( 0.446 1.133 -1.265) 1.756 22.370 ( -1.314 -6.029 1.584) 6.371 22.395 ( -3.234 -6.477 -0.989) 7.307 23.251 ( 3.513 0.236 0.471) 3.553 23.261 ( 3.351 0.025 -0.543) 3.395 23.327 ( -2.132 -0.575 0.727) 2.324 23.339 ( -2.467 -0.909 -0.482) 2.673 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 -0.646 0.091) 0.652 2.593 ( 0.000 0.646 0.091) 0.652 3.120 ( 0.000 -1.564 1.172) 1.954 3.120 ( 0.000 1.564 1.172) 1.954 3.160 ( 0.000 -1.879 -1.191) 2.224 3.160 ( 0.000 1.879 -1.191) 2.224 3.172 ( 0.000 -1.706 -0.009) 1.706 3.172 ( 0.000 1.706 -0.009) 1.706 3.561 ( 0.000 -0.224 0.544) 0.589 3.561 ( 0.000 0.224 0.544) 0.589 3.576 ( 0.000 -1.209 0.423) 1.281 3.576 ( 0.000 1.210 0.423) 1.281 3.666 ( 0.000 -1.322 3.521) 3.761 3.666 ( 0.000 1.322 3.521) 3.761 3.960 ( 0.000 -1.604 -2.548) 3.011 3.960 ( 0.000 1.604 -2.548) 3.011 4.535 ( 0.000 -0.793 0.790) 1.120 4.535 ( 0.000 0.794 0.790) 1.120 4.951 ( 0.000 -2.369 9.303) 9.600 4.951 ( 0.000 2.369 9.303) 9.600 4.999 ( 0.000 -1.993 -1.148) 2.300 4.999 ( 0.000 1.993 -1.148) 2.300 5.172 ( 0.000 -0.148 -10.000) 10.001 5.172 ( 0.000 0.148 -10.000) 10.001 5.789 ( 0.000 -0.812 -0.014) 0.812 5.789 ( 0.000 0.812 -0.014) 0.812 6.105 ( 0.000 -1.916 -1.027) 2.174 6.105 ( 0.000 1.916 -1.027) 2.174 7.089 ( 0.000 -0.275 0.341) 0.439 7.089 ( 0.000 0.276 0.341) 0.439 7.442 ( 0.000 -9.457 1.655) 9.601 7.442 ( 0.000 9.457 1.655) 9.601 7.518 ( 0.000 -1.001 -0.405) 1.080 7.518 ( 0.000 1.001 -0.405) 1.080 7.600 ( 0.000 -2.673 -1.649) 3.141 7.600 ( 0.000 2.673 -1.649) 3.141 7.918 ( 0.000 -1.337 -1.857) 2.289 7.918 ( 0.000 1.338 -1.857) 2.289 8.188 ( 0.000 -2.197 -1.087) 2.451 8.188 ( 0.000 2.197 -1.087) 2.451 8.774 ( 0.000 -2.061 -0.891) 2.245 8.774 ( 0.000 2.061 -0.891) 2.245 8.887 ( 0.000 -4.144 0.556) 4.181 8.887 ( 0.000 4.144 0.556) 4.181 9.524 ( 0.000 -0.900 -0.093) 0.905 9.524 ( 0.000 0.900 -0.093) 0.905 9.628 ( 0.000 -1.786 0.843) 1.975 9.628 ( 0.000 1.786 0.843) 1.975 9.801 ( 0.000 -2.940 -3.239) 4.375 9.801 ( 0.000 2.941 -3.239) 4.375 10.042 ( 0.000 -0.834 1.685) 1.880 10.042 ( 0.000 0.834 1.685) 1.880 10.559 ( 0.000 -1.281 0.309) 1.318 10.559 ( 0.000 1.281 0.309) 1.318 10.758 ( 0.000 -3.153 0.983) 3.303 10.758 ( 0.000 3.153 0.983) 3.303 11.132 ( 0.000 -1.344 -3.208) 3.478 11.132 ( 0.000 1.345 -3.208) 3.478 11.407 ( 0.000 -4.002 1.337) 4.219 11.407 ( 0.000 4.002 1.337) 4.219 12.043 ( 0.000 -2.904 5.651) 6.353 12.043 ( 0.000 2.904 5.651) 6.353 12.673 ( 0.000 -0.416 -0.719) 0.831 12.673 ( 0.000 0.416 -0.719) 0.831 13.241 ( 0.000 -4.965 4.829) 6.926 13.241 ( 0.000 4.965 4.829) 6.926 13.782 ( 0.000 -1.671 3.393) 3.782 13.782 ( 0.000 1.671 3.393) 3.782 13.873 ( 0.000 -4.892 -0.333) 4.903 13.873 ( 0.000 4.892 -0.333) 4.903 14.230 ( 0.000 -4.586 0.448) 4.608 14.230 ( 0.000 4.586 0.448) 4.608 14.932 ( 0.000 -5.211 5.295) 7.428 14.932 ( 0.000 5.211 5.294) 7.429 14.977 ( 0.000 -6.371 6.180) 8.876 14.977 ( 0.000 6.372 6.180) 8.876 15.885 ( 0.000 -8.647 -16.433) 18.569 15.885 ( 0.000 8.648 -16.433) 18.570 16.260 ( 0.000 -4.012 -13.496) 14.080 16.260 ( 0.000 4.012 -13.496) 14.080 17.765 ( 0.000 -1.265 8.285) 8.381 17.765 ( 0.000 1.265 8.285) 8.381 17.850 ( 0.000 -0.140 1.145) 1.154 17.850 ( 0.000 0.140 1.145) 1.154 19.777 ( 0.000 -2.443 -0.384) 2.473 19.777 ( 0.000 2.443 -0.384) 2.473 20.087 ( 0.000 -3.621 1.119) 3.790 20.087 ( 0.000 3.621 1.119) 3.790 22.167 ( 0.000 -1.111 0.215) 1.132 22.167 ( 0.000 1.111 0.215) 1.132 22.412 ( 0.000 -1.451 -0.136) 1.458 22.412 ( 0.000 1.451 -0.136) 1.458 23.151 ( 0.000 -0.348 -0.005) 0.348 23.151 ( 0.000 0.348 -0.005) 0.348 23.382 ( 0.000 -0.407 0.099) 0.419 23.382 ( 0.000 0.407 0.099) 0.419 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 5.244 -1.515 -0.146) 5.460 2.648 ( 5.244 1.515 -0.146) 5.460 3.065 ( -5.570 -1.146 0.183) 5.689 3.065 ( -5.570 1.146 0.183) 5.689 3.149 ( 2.237 -1.560 0.133) 2.731 3.149 ( 2.237 1.560 0.133) 2.731 3.231 ( 2.509 -1.986 -0.680) 3.272 3.231 ( 2.509 1.986 -0.680) 3.272 3.526 ( -2.994 -3.028 1.760) 4.607 3.526 ( -2.994 3.028 1.760) 4.608 3.542 ( -2.656 -4.319 0.820) 5.136 3.542 ( -2.656 4.319 0.820) 5.136 3.720 ( 4.319 -1.520 1.866) 4.944 3.720 ( 4.319 1.520 1.866) 4.944 3.958 ( -0.665 -1.878 -1.899) 2.753 3.958 ( -0.665 1.878 -1.899) 2.753 4.530 ( 0.269 -0.936 1.133) 1.494 4.530 ( 0.269 0.936 1.133) 1.494 4.849 ( -6.776 -1.297 6.295) 9.339 4.849 ( -6.776 1.297 6.295) 9.339 5.082 ( 4.820 -2.920 -0.977) 5.720 5.082 ( 4.820 2.920 -0.977) 5.720 5.195 ( 1.711 -0.919 -7.758) 7.997 5.195 ( 1.711 0.919 -7.758) 7.997 5.800 ( 1.398 -0.821 -0.162) 1.629 5.800 ( 1.398 0.821 -0.162) 1.629 6.067 ( -3.658 -1.698 -0.921) 4.136 6.067 ( -3.658 1.698 -0.921) 4.136 7.139 ( 4.685 -0.642 0.222) 4.734 7.139 ( 4.685 0.642 0.222) 4.734 7.433 ( -1.312 -6.734 1.289) 6.980 7.433 ( -1.312 6.734 1.289) 6.981 7.506 ( -0.602 -2.686 1.770) 3.273 7.506 ( -0.602 2.686 1.770) 3.273 7.589 ( -1.359 -1.352 -3.997) 4.433 7.589 ( -1.359 1.352 -3.997) 4.433 7.969 ( 4.827 -2.180 -1.232) 5.438 7.969 ( 4.827 2.180 -1.232) 5.438 8.190 ( -0.096 -2.206 -0.892) 2.381 8.190 ( -0.096 2.206 -0.892) 2.382 8.800 ( 2.351 -1.829 -0.333) 2.997 8.800 ( 2.351 1.829 -0.333) 2.997 8.887 ( -0.061 -3.866 0.557) 3.906 8.887 ( -0.061 3.866 0.557) 3.906 9.528 ( 0.355 -2.443 0.724) 2.572 9.528 ( 0.355 2.443 0.724) 2.572 9.612 ( -1.441 -3.384 0.790) 3.762 9.612 ( -1.441 3.384 0.790) 3.762 9.807 ( 0.609 -2.544 -2.894) 3.901 9.807 ( 0.609 2.544 -2.894) 3.901 9.992 ( -4.326 -3.199 -0.041) 5.380 9.992 ( -4.326 3.199 -0.041) 5.381 10.636 ( 6.716 -2.260 -0.331) 7.094 10.636 ( 6.716 2.260 -0.331) 7.094 10.788 ( 2.374 -3.301 1.166) 4.230 10.788 ( 2.374 3.301 1.166) 4.230 11.146 ( 1.962 -2.170 -2.297) 3.719 11.146 ( 1.962 2.170 -2.297) 3.719 11.397 ( -0.974 -3.430 1.151) 3.747 11.397 ( -0.974 3.430 1.151) 3.747 12.005 ( -3.066 -3.365 5.315) 6.998 12.005 ( -3.066 3.365 5.315) 6.998 12.476 ( -16.558 -0.488 -1.522) 16.635 12.476 ( -16.558 0.488 -1.522) 16.635 13.312 ( 5.484 -4.503 6.311) 9.496 13.312 ( 5.484 4.503 6.311) 9.496 13.678 ( -6.479 -1.449 3.025) 7.295 13.678 ( -6.479 1.449 3.025) 7.295 13.988 ( 7.276 -5.157 0.506) 8.933 13.988 ( 7.276 5.157 0.506) 8.933 14.238 ( 0.166 -5.616 0.188) 5.622 14.238 ( 0.166 5.616 0.188) 5.622 14.941 ( 0.911 -5.552 4.758) 7.368 14.941 ( 0.911 5.552 4.758) 7.368 14.979 ( 0.145 -6.557 5.245) 8.398 14.979 ( 0.145 6.557 5.245) 8.398 15.932 ( 4.422 -7.963 -15.744) 18.189 15.932 ( 4.422 7.963 -15.744) 18.189 16.236 ( -2.427 -4.221 -13.517) 14.367 16.236 ( -2.427 4.221 -13.517) 14.367 17.767 ( 0.191 -1.187 7.638) 7.732 17.767 ( 0.191 1.187 7.638) 7.732 17.835 ( -1.379 -0.110 1.932) 2.376 17.835 ( -1.379 0.110 1.932) 2.376 19.808 ( 3.033 -2.615 -0.259) 4.013 19.808 ( 3.033 2.615 -0.259) 4.013 20.059 ( -2.724 -3.554 0.958) 4.579 20.059 ( -2.724 3.554 0.958) 4.579 22.182 ( 1.561 -1.144 0.182) 1.944 22.182 ( 1.561 1.144 0.182) 1.944 22.377 ( -3.210 -1.415 -0.103) 3.509 22.377 ( -3.210 1.415 -0.103) 3.509 23.185 ( 3.103 -0.324 0.007) 3.120 23.185 ( 3.103 0.324 0.007) 3.120 23.368 ( -1.395 -0.392 0.091) 1.452 23.368 ( -1.395 0.392 0.091) 1.452 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 7.659 -1.920 -0.517) 7.912 2.783 ( 7.659 1.920 -0.517) 7.912 2.935 ( -7.219 -1.591 -0.407) 7.403 2.935 ( -7.219 1.591 -0.407) 7.403 3.209 ( 3.380 -2.022 0.115) 3.941 3.209 ( 3.380 2.022 0.115) 3.941 3.256 ( -0.514 -2.331 -0.673) 2.480 3.256 ( -0.514 2.332 -0.673) 2.480 3.473 ( -1.358 -1.256 2.319) 2.967 3.473 ( -1.358 1.256 2.319) 2.967 3.487 ( -2.312 -3.165 1.557) 4.218 3.487 ( -2.312 3.165 1.557) 4.218 3.819 ( 5.235 -1.488 0.325) 5.452 3.819 ( 5.235 1.488 0.325) 5.452 3.914 ( -3.786 -1.851 -0.790) 4.288 3.914 ( -3.786 1.851 -0.790) 4.288 4.577 ( 4.660 -0.842 2.550) 5.378 4.577 ( 4.660 0.842 2.550) 5.378 4.704 ( -7.339 -0.222 4.584) 8.655 4.704 ( -7.339 0.223 4.584) 8.655 5.168 ( 3.499 -2.369 -3.499) 5.487 5.168 ( 3.499 2.369 -3.499) 5.487 5.211 ( -0.592 -1.485 -5.248) 5.486 5.211 ( -0.592 1.485 -5.248) 5.486 5.859 ( 4.577 -1.250 -0.389) 4.761 5.859 ( 4.577 1.250 -0.389) 4.761 5.969 ( -5.727 -1.448 -0.663) 5.944 5.969 ( -5.727 1.448 -0.663) 5.944 7.256 ( 6.380 -0.487 0.539) 6.421 7.256 ( 6.380 0.487 0.539) 6.421 7.372 ( -4.745 -1.152 1.603) 5.139 7.372 ( -4.745 1.152 1.603) 5.139 7.513 ( 1.267 -2.923 0.089) 3.187 7.513 ( 1.267 2.923 0.089) 3.187 7.549 ( -2.186 -0.377 -3.614) 4.241 7.549 ( -2.186 0.377 -3.614) 4.241 8.083 ( 5.634 -2.417 -0.609) 6.161 8.083 ( 5.634 2.417 -0.610) 6.161 8.168 ( -2.530 -2.222 -0.573) 3.416 8.168 ( -2.530 2.222 -0.573) 3.416 8.851 ( 2.268 -1.923 0.468) 3.010 8.851 ( 2.268 1.923 0.468) 3.010 8.881 ( -0.735 -2.966 0.605) 3.115 8.881 ( -0.735 2.966 0.605) 3.115 9.542 ( 1.213 -5.078 2.223) 5.674 9.542 ( 1.213 5.078 2.223) 5.674 9.576 ( -1.986 -5.810 1.747) 6.384 9.576 ( -1.986 5.810 1.747) 6.384 9.832 ( 2.190 -3.771 -3.320) 5.481 9.832 ( 2.190 3.772 -3.320) 5.481 9.900 ( -4.350 -5.025 -3.111) 7.338 9.900 ( -4.350 5.025 -3.111) 7.338 10.768 ( 5.044 -3.288 -0.549) 6.046 10.768 ( 5.044 3.288 -0.549) 6.046 10.818 ( -0.130 -3.238 0.367) 3.261 10.818 ( -0.130 3.238 0.367) 3.261 11.236 ( 6.873 -1.886 -0.043) 7.127 11.236 ( 6.873 1.886 -0.043) 7.127 11.357 ( -3.785 -2.537 0.988) 4.663 11.357 ( -3.785 2.537 0.988) 4.663 11.972 ( 1.652 -3.361 3.039) 4.823 11.972 ( 1.652 3.361 3.039) 4.823 12.135 ( -14.591 -1.636 -0.841) 14.707 12.135 ( -14.591 1.636 -0.841) 14.707 13.428 ( 5.920 -3.564 6.672) 9.605 13.428 ( 5.920 3.564 6.672) 9.605 13.550 ( -6.253 -2.209 4.913) 8.254 13.550 ( -6.253 2.209 4.913) 8.254 14.123 ( 5.906 -6.341 0.289) 8.670 14.123 ( 5.906 6.341 0.289) 8.670 14.213 ( -2.890 -6.635 0.103) 7.238 14.213 ( -2.890 6.635 0.103) 7.238 14.963 ( 1.068 -6.312 3.781) 7.435 14.963 ( 1.068 6.312 3.781) 7.435 14.978 ( -0.357 -6.755 3.830) 7.774 14.978 ( -0.357 6.756 3.830) 7.774 16.045 ( 6.273 -6.413 -14.493) 17.045 16.045 ( 6.273 6.414 -14.493) 17.045 16.162 ( -4.989 -4.991 -13.736) 15.443 16.162 ( -4.989 4.992 -13.736) 15.443 17.777 ( 0.882 -0.960 5.966) 6.107 17.777 ( 0.882 0.960 5.966) 6.107 17.803 ( -1.623 -0.571 3.831) 4.199 17.803 ( -1.623 0.571 3.831) 4.199 19.889 ( 4.708 -2.990 0.089) 5.578 19.889 ( 4.708 2.990 0.089) 5.578 19.984 ( -4.521 -3.340 0.555) 5.648 19.984 ( -4.521 3.340 0.555) 5.648 22.229 ( 3.043 -1.230 0.094) 3.284 22.229 ( 3.043 1.230 0.094) 3.284 22.301 ( -3.967 -1.333 -0.015) 4.185 22.301 ( -3.967 1.333 -0.015) 4.185 23.258 ( 3.777 -0.320 0.036) 3.791 23.258 ( 3.777 0.320 0.036) 3.791 23.326 ( -2.816 -0.355 0.068) 2.840 23.326 ( -2.816 0.355 0.068) 2.840 =================== 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 3/33600 10.0 4861.618 4368.555 6835.134 0.000 0.000 -0.000 3/33600 20.0 1211.603 1662.800 1466.459 0.000 0.000 -0.000 3/33600 30.0 404.481 613.762 474.131 0.000 0.000 -0.000 3/33600 40.0 191.521 306.305 224.391 0.000 0.000 0.000 3/33600 50.0 112.480 184.708 131.900 0.000 0.000 0.000 3/33600 60.0 75.000 125.185 88.104 0.000 0.000 0.000 3/33600 70.0 54.234 91.650 63.837 0.000 0.000 0.000 3/33600 80.0 41.482 70.836 48.917 0.000 0.000 0.000 3/33600 90.0 33.065 56.983 39.054 0.000 0.000 0.000 3/33600 100.0 27.206 47.267 32.175 0.000 0.000 0.000 3/33600 110.0 22.952 40.166 27.174 0.000 0.000 0.000 3/33600 120.0 19.759 34.801 23.415 0.000 0.000 0.000 3/33600 130.0 17.294 30.637 20.511 0.000 0.000 0.000 3/33600 140.0 15.347 27.328 18.214 0.000 0.000 0.000 3/33600 150.0 13.776 24.648 16.360 0.000 0.000 0.000 3/33600 160.0 12.487 22.440 14.839 0.000 0.000 0.000 3/33600 170.0 11.413 20.594 13.571 0.000 0.000 0.000 3/33600 180.0 10.506 19.030 12.501 0.000 0.000 0.000 3/33600 190.0 9.732 17.690 11.586 0.000 0.000 0.000 3/33600 200.0 9.063 16.530 10.797 0.000 0.000 0.000 3/33600 210.0 8.481 15.517 10.109 0.000 0.000 0.000 3/33600 220.0 7.969 14.624 9.505 0.000 0.000 0.000 3/33600 230.0 7.517 13.833 8.971 0.000 0.000 0.000 3/33600 240.0 7.113 13.126 8.494 0.000 0.000 0.000 3/33600 250.0 6.752 12.490 8.067 0.000 0.000 0.000 3/33600 260.0 6.426 11.916 7.682 0.000 0.000 0.000 3/33600 270.0 6.131 11.395 7.333 0.000 0.000 0.000 3/33600 280.0 5.863 10.919 7.016 0.000 0.000 0.000 3/33600 290.0 5.617 10.483 6.725 0.000 0.000 0.000 3/33600 300.0 5.392 10.083 6.459 0.000 0.000 0.000 3/33600 310.0 5.185 9.713 6.213 0.000 0.000 0.000 3/33600 320.0 4.994 9.370 5.986 0.000 0.000 0.000 3/33600 330.0 4.816 9.052 5.776 0.000 0.000 0.000 3/33600 340.0 4.651 8.756 5.580 0.000 0.000 0.000 3/33600 350.0 4.498 8.479 5.398 0.000 0.000 0.000 3/33600 360.0 4.354 8.220 5.228 0.000 0.000 0.000 3/33600 370.0 4.220 7.977 5.068 0.000 0.000 0.000 3/33600 380.0 4.094 7.749 4.918 0.000 0.000 0.000 3/33600 390.0 3.975 7.533 4.777 0.000 0.000 0.000 3/33600 400.0 3.864 7.330 4.645 0.000 0.000 0.000 3/33600 410.0 3.758 7.138 4.519 0.000 0.000 0.000 3/33600 420.0 3.659 6.956 4.400 0.000 0.000 0.000 3/33600 430.0 3.565 6.783 4.288 0.000 0.000 0.000 3/33600 440.0 3.475 6.619 4.182 0.000 0.000 0.000 3/33600 450.0 3.390 6.463 4.080 0.000 0.000 0.000 3/33600 460.0 3.309 6.314 3.984 0.000 0.000 0.000 3/33600 470.0 3.233 6.172 3.892 0.000 0.000 0.000 3/33600 480.0 3.159 6.037 3.805 0.000 0.000 0.000 3/33600 490.0 3.089 5.908 3.721 0.000 0.000 0.000 3/33600 500.0 3.022 5.784 3.641 0.000 0.000 0.000 3/33600 510.0 2.959 5.665 3.565 0.000 0.000 0.000 3/33600 520.0 2.897 5.551 3.492 0.000 0.000 0.000 3/33600 530.0 2.839 5.442 3.421 0.000 0.000 0.000 3/33600 540.0 2.782 5.337 3.354 0.000 0.000 0.000 3/33600 550.0 2.728 5.236 3.289 0.000 0.000 0.000 3/33600 560.0 2.676 5.139 3.227 0.000 0.000 0.000 3/33600 570.0 2.626 5.046 3.167 0.000 0.000 0.000 3/33600 580.0 2.578 4.956 3.110 0.000 0.000 0.000 3/33600 590.0 2.532 4.869 3.054 0.000 0.000 0.000 3/33600 600.0 2.487 4.785 3.001 0.000 0.000 0.000 3/33600 610.0 2.444 4.705 2.949 0.000 0.000 0.000 3/33600 620.0 2.403 4.626 2.899 0.000 0.000 0.000 3/33600 630.0 2.363 4.551 2.851 0.000 0.000 0.000 3/33600 640.0 2.324 4.478 2.804 0.000 0.000 0.000 3/33600 650.0 2.286 4.407 2.759 0.000 0.000 0.000 3/33600 660.0 2.250 4.339 2.716 0.000 0.000 0.000 3/33600 670.0 2.215 4.272 2.674 0.000 0.000 0.000 3/33600 680.0 2.181 4.208 2.633 0.000 0.000 0.000 3/33600 690.0 2.148 4.145 2.593 0.000 0.000 0.000 3/33600 700.0 2.116 4.085 2.555 0.000 0.000 0.000 3/33600 710.0 2.085 4.026 2.517 0.000 0.000 0.000 3/33600 720.0 2.054 3.969 2.481 0.000 0.000 0.000 3/33600 730.0 2.025 3.913 2.446 0.000 0.000 0.000 3/33600 740.0 1.997 3.860 2.412 0.000 0.000 0.000 3/33600 750.0 1.969 3.807 2.378 0.000 0.000 0.000 3/33600 760.0 1.942 3.756 2.346 0.000 0.000 0.000 3/33600 770.0 1.916 3.706 2.315 0.000 0.000 0.000 3/33600 780.0 1.891 3.658 2.284 0.000 0.000 0.000 3/33600 790.0 1.866 3.611 2.254 0.000 0.000 0.000 3/33600 800.0 1.842 3.565 2.225 0.000 0.000 0.000 3/33600 810.0 1.818 3.520 2.197 0.000 0.000 0.000 3/33600 820.0 1.796 3.477 2.170 0.000 0.000 0.000 3/33600 830.0 1.773 3.434 2.143 0.000 0.000 0.000 3/33600 840.0 1.752 3.393 2.117 0.000 0.000 0.000 3/33600 850.0 1.730 3.352 2.091 0.000 0.000 0.000 3/33600 860.0 1.710 3.313 2.066 0.000 0.000 0.000 3/33600 870.0 1.689 3.274 2.042 0.000 0.000 0.000 3/33600 880.0 1.670 3.236 2.018 0.000 0.000 0.000 3/33600 890.0 1.650 3.199 1.995 0.000 0.000 0.000 3/33600 900.0 1.632 3.163 1.972 0.000 0.000 0.000 3/33600 910.0 1.613 3.128 1.950 0.000 0.000 0.000 3/33600 920.0 1.595 3.094 1.928 0.000 0.000 0.000 3/33600 930.0 1.578 3.060 1.907 0.000 0.000 0.000 3/33600 940.0 1.560 3.027 1.886 0.000 0.000 0.000 3/33600 950.0 1.544 2.995 1.866 0.000 0.000 0.000 3/33600 960.0 1.527 2.963 1.846 0.000 0.000 0.000 3/33600 970.0 1.511 2.932 1.827 0.000 0.000 0.000 3/33600 980.0 1.495 2.902 1.808 0.000 0.000 0.000 3/33600 990.0 1.480 2.873 1.789 0.000 0.000 0.000 3/33600 1000.0 1.465 2.844 1.771 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:24:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|