----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:44:34]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 6 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 *3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 *14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 *16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 *18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 *20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 *22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 *28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 *40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 *44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 *2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 > 2 *3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 > 3 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 > 4 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 > 5 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 > 6 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 > 7 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 > 8 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 > 9 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 > 10 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 > 11 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 > 12 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 > 13 *14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 > 14 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 > 15 *16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 > 16 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 > 17 *18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 > 18 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 > 19 *20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 > 20 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 > 21 *22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 > 22 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 > 23 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 > 24 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 > 25 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 > 26 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 > 27 *28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 > 28 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 > 29 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 > 30 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 > 31 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 > 32 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 > 33 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 > 34 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 > 35 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 > 36 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 > 37 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 > 38 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 > 39 *40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 > 40 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 > 41 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 > 42 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 > 43 *44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 *2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 > 2 *3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 > 3 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 > 4 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 > 5 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 > 6 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 > 7 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 > 8 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 > 9 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 > 10 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 > 11 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 > 12 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 > 13 *14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 > 14 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 > 15 *16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 > 16 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 > 17 *18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 > 18 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 > 19 *20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 > 20 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 > 21 *22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 > 22 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 > 23 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 > 24 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 > 25 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 > 26 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 > 27 *28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 > 28 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 > 29 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 > 30 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 > 31 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 > 32 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 > 33 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 > 34 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 > 35 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 > 36 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 > 37 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 > 38 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 > 39 *40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 > 40 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 > 41 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 > 42 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 > 43 *44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2698331 0.0000005 0.0000000 -0.0000005 3.2698331 0.0000000 0.0000000 0.0000000 3.2740715 -------------------------- Born effective charges -------------------------- 1 Ca 2.5010722 0.0258549 0.0000000 -0.0258549 2.5010722 -0.0000000 -0.0000000 -0.0000000 2.8639263 2 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 3 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 4 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 5 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 6 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 7 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 8 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 9 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 10 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 11 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 12 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 13 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 14 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 15 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 16 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 17 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 18 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 19 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 20 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 21 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 22 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 23 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 24 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 25 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 26 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 27 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 28 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 29 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 30 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 31 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 32 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 33 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 34 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 35 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 36 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 37 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 38 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 39 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 40 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 41 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 42 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 43 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 44 O -2.1647223 -0.0376527 0.0000000 0.0376527 -2.1647223 -0.0000000 -0.0000000 -0.0000000 -2.3256692 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 8646/8646 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1477 Number of blocks in projector: 716 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 670 Use submatrix version of eigh solver. (1) Block: 500 / 670 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 670 / 670 (1) 153 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 624 / 624 (1) 100 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 183 Use standard eigh solver. Tree of FC basis block matrices: - (1477, 1409), data: False |-- (183, 172), data: True |-- (624, 600), data: False |-- (624, 24), data: (624, 48) @ (48, 24) |-- (124, 100), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (670, 637), data: False |-- (670, 17), data: (670, 50) @ (50, 17) |-- (170, 153), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 880 - Time: 0.783 Solver_block: 200 / 880 - Time: 0.784 Solver_block: 300 / 880 - Time: 0.779 Solver_block: 400 / 880 - Time: 0.779 Solver_block: 500 / 880 - Time: 0.780 Solver_block: 600 / 880 - Time: 0.779 Solver_block: 700 / 880 - Time: 0.779 Solver_block: 800 / 880 - Time: 0.779 Solver_block: 880 / 880 - Time: 0.638 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.916 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 132/132 Permutation basis: 8646/8646 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1477 Number of blocks in projector: 716 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 670 Use submatrix version of eigh solver. (1) Block: 500 / 670 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 670 / 670 (1) 153 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 624 / 624 (1) 100 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 183 Use standard eigh solver. Tree of FC basis block matrices: - (1477, 1409), data: False |-- (183, 172), data: True |-- (624, 600), data: False |-- (624, 24), data: (624, 48) @ (48, 24) |-- (124, 100), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (670, 637), data: False |-- (670, 17), data: (670, 50) @ (50, 17) |-- (170, 153), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:44:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:44:57]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 > 2 3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 > 3 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 > 4 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 > 5 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 > 6 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 > 7 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 > 8 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 > 9 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 > 10 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 > 11 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 > 12 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 > 13 14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 > 14 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 > 15 16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 > 16 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 > 17 18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 > 18 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 > 19 20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 > 20 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 > 21 22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 > 22 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 > 23 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 > 24 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 > 25 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 > 26 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 > 27 28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 > 28 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 > 29 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 > 30 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 > 31 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 > 32 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 > 33 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 > 34 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 > 35 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 > 36 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 > 37 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 > 38 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 > 39 40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 > 40 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 > 41 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 > 42 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 > 43 44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2698331 0.0000005 0.0000000 -0.0000005 3.2698331 0.0000000 0.0000000 0.0000000 3.2740715 -------------------------- Born effective charges -------------------------- 1 Ca 2.5010722 0.0258549 0.0000000 -0.0258549 2.5010722 -0.0000000 -0.0000000 -0.0000000 2.8639263 2 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 3 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 4 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 5 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 6 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 7 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 8 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 9 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 10 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 11 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 12 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 13 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 14 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 15 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 16 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 17 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 18 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 19 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 20 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 21 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 22 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 23 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 24 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 25 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 26 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 27 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 28 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 29 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 30 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 31 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 32 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 33 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 34 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 35 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 36 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 37 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 38 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 39 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 40 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 41 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 42 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 43 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 44 O -2.1647223 -0.0376527 0.0000000 0.0376527 -2.1647223 -0.0000000 -0.0000000 -0.0000000 -2.3256692 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 14, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 18, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 44, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:45:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:45:07]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.256108101209822 0.000000000000000 0.000000000000000 b -3.628054050604911 6.283973948253772 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614360050000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Al 0.95009909999804 0.20645070596753 0.64677074956512 26.982 > 2 3 Al 0.45317914366063 0.08616153957897 0.13484081044389 26.982 > 3 4 Al 0.20645070596753 0.25635160596949 0.35322925043489 26.982 > 4 5 Al 0.36701760408166 0.45317914366063 0.86515918955611 26.982 > 5 6 Al 0.54682085633937 0.91383846042103 0.86515918955611 26.982 > 6 7 Al 0.74364839403051 0.95009909999804 0.35322925043489 26.982 > 7 8 Al 0.08616153957897 0.63298239591834 0.86515918955611 26.982 > 8 9 Al 0.91383846042103 0.36701760408166 0.13484081044389 26.982 > 9 10 Al 0.25635160596949 0.04990090000197 0.64677074956512 26.982 > 10 11 Al 0.63298239591834 0.54682085633937 0.13484081044389 26.982 > 11 12 Al 0.79354929403247 0.74364839403051 0.64677074956512 26.982 > 12 13 Al 0.04990090000197 0.79354929403247 0.35322925043489 26.982 > 13 14 Si 0.66666666666667 0.33333333333333 0.44744392188040 28.085 > 14 15 Si 0.33333333333333 0.66666666666667 0.55255607811961 28.085 > 15 16 Si 0.33333333333333 0.66666666666667 0.14151911104563 28.085 > 16 17 Si 0.66666666666667 0.33333333333333 0.85848088895437 28.085 > 17 18 O 0.45666294010426 0.30162869830917 0.99929062431802 15.999 > 18 19 O 0.30162869830917 0.84496575820492 0.00070937568198 15.999 > 19 20 O 0.61164652644086 0.50819862578746 0.76104620590251 15.999 > 20 21 O 0.84496575820492 0.54333705989574 0.99929062431802 15.999 > 21 22 O 0.58039935495650 0.74461319862355 0.50774475048753 15.999 > 22 23 O 0.10344790065339 0.61164652644086 0.23895379409749 15.999 > 23 24 O 0.16421384366705 0.41960064504350 0.50774475048753 15.999 > 24 25 O 0.25538680137645 0.83578615633295 0.50774475048753 15.999 > 25 26 O 0.83578615633295 0.58039935495650 0.49225524951247 15.999 > 26 27 O 0.41960064504350 0.25538680137645 0.49225524951247 15.999 > 27 28 O 0.22422360760788 0.04477248647063 0.24046640502799 15.999 > 28 29 O 0.74461319862355 0.16421384366705 0.49225524951247 15.999 > 29 30 O 0.95522751352937 0.17945112113725 0.24046640502799 15.999 > 30 31 O 0.82054887886275 0.77577639239212 0.24046640502799 15.999 > 31 32 O 0.17945112113725 0.22422360760788 0.75953359497201 15.999 > 32 33 O 0.49180137421254 0.10344790065339 0.76104620590251 15.999 > 33 34 O 0.54333705989574 0.69837130169083 0.00070937568198 15.999 > 34 35 O 0.77577639239212 0.95522751352937 0.75953359497201 15.999 > 35 36 O 0.69837130169083 0.15503424179508 0.99929062431802 15.999 > 36 37 O 0.50819862578746 0.89655209934661 0.23895379409749 15.999 > 37 38 O 0.38835347355915 0.49180137421254 0.23895379409749 15.999 > 38 39 O 0.89655209934661 0.38835347355915 0.76104620590251 15.999 > 39 40 O 0.33333333333333 0.66666666666667 0.75068023122346 15.999 > 40 41 O 0.66666666666667 0.33333333333333 0.24931976877654 15.999 > 41 42 O 0.15503424179508 0.45666294010426 0.00070937568198 15.999 > 42 43 O 0.04477248647063 0.82054887886275 0.75953359497201 15.999 > 43 44 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2698331 0.0000005 0.0000000 -0.0000005 3.2698331 0.0000000 0.0000000 0.0000000 3.2740715 -------------------------- Born effective charges -------------------------- 1 Ca 2.5010722 0.0258549 0.0000000 -0.0258549 2.5010722 -0.0000000 -0.0000000 -0.0000000 2.8639263 2 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 3 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 4 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 5 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 6 Al 2.6813563 -0.0303014 -0.1344745 -0.0064683 3.1990979 -0.0754697 -0.1413595 -0.0163494 2.7733370 7 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 8 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 9 Al 3.0537407 0.2214646 0.1325960 0.2452977 2.8267135 -0.0787235 0.0848388 -0.1142462 2.7733370 10 Al 3.0846529 0.0825608 -0.0603998 0.0419501 3.0670710 0.1222632 0.0880697 -0.0131444 3.0893762 11 Al 3.0855843 -0.2269128 0.0018786 -0.2030797 2.7948699 0.1541932 0.0565208 0.1305957 2.7733370 12 Al 3.0175517 -0.0032092 0.1360830 -0.0438199 3.1341722 -0.0088238 -0.0554183 -0.0696984 3.0893762 13 Al 3.1253813 -0.0184355 -0.0756831 -0.0590463 3.0263426 -0.1134394 -0.0326515 0.0828428 3.0893762 14 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 15 Si 3.2993468 -0.1151640 0.0000000 0.1151640 3.2993468 -0.0000000 -0.0000000 -0.0000000 3.4714515 16 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 17 Si 3.5689729 0.0458984 0.0000000 -0.0458984 3.5689729 -0.0000000 -0.0000000 -0.0000000 3.4766846 18 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 19 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 20 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 21 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 22 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 23 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 24 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 25 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 26 O -1.4408005 -0.1022833 0.1977187 -0.1592473 -2.3781093 -0.1161586 0.1981449 -0.1800028 -1.7874254 27 O -2.2570282 -0.3120020 0.0017369 -0.3689659 -1.5618816 0.2293087 0.0568146 0.2615999 -1.7874254 28 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 29 O -2.0305360 0.4997312 -0.1994557 0.4427673 -1.7883737 -0.1131501 -0.2549594 -0.0815971 -1.7874254 30 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 31 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 32 O -1.9527618 -0.0235515 -0.0882922 0.0181248 -1.9412520 -0.2556680 -0.1045427 -0.2615898 -1.9091747 33 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 34 O -2.0272181 0.1871809 0.0268944 0.1851384 -1.8995222 0.1404617 -0.0223995 0.1539291 -1.9611437 35 O -1.9464793 -0.0144976 0.2655611 0.0271787 -1.9475346 0.0513708 0.2788147 0.0402583 -1.9091747 36 O -1.7702272 -0.0367647 -0.1350906 -0.0388071 -2.1565131 -0.0469396 -0.1221068 -0.0963631 -1.9611437 37 O -1.8214668 -0.0542796 -0.3486999 -0.0791781 -2.0937714 -0.1808252 -0.4243427 -0.1988806 -1.7912461 38 O -1.9679064 0.1637250 0.0177507 0.1388266 -1.9473318 0.3923956 0.0399358 0.4669319 -1.7912461 39 O -2.0834842 -0.0720977 0.3309492 -0.0969962 -1.8317541 -0.2115704 0.3844070 -0.2680513 -1.7912461 40 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 41 O -1.7524086 -0.0133449 0.0000000 0.0133449 -1.7524086 -0.0000000 -0.0000000 -0.0000000 -2.4584345 42 O -2.0926652 -0.1473525 0.1081962 -0.1493950 -1.8340751 -0.0935221 0.1445063 -0.0575661 -1.9611437 43 O -1.9417797 -0.0244654 -0.1772689 0.0172109 -1.9522342 0.2042973 -0.1742720 0.2213315 -1.9091747 44 O -2.1647223 -0.0376527 0.0000000 0.0376527 -2.1647223 -0.0000000 -0.0000000 -0.0000000 -2.3256692 ---------------------------------------------------------------------------- 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 ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/68) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 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 3.378 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 10.992 ( 0.000 0.000 0.000) 0.000 10.992 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.725 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 0.000) 0.000 13.811 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 14.057 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 15.119 ( 0.000 0.000 0.000) 0.000 15.119 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.896 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 0.000) 0.000 17.431 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.716 ( 0.000 0.000 0.000) 0.000 17.872 ( 0.000 0.000 0.000) 0.000 17.872 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 19.175 ( 0.000 0.000 0.000) 0.000 19.405 ( 0.000 0.000 0.000) 0.000 19.551 ( 0.000 0.000 0.000) 0.000 19.603 ( 0.000 0.000 0.000) 0.000 19.603 ( 0.000 0.000 0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 20.830 ( 0.000 0.000 0.000) 0.000 21.120 ( 0.000 0.000 0.000) 0.000 21.120 ( 0.000 0.000 0.000) 0.000 21.179 ( 0.000 0.000 0.000) 0.000 21.333 ( 0.000 0.000 0.000) 0.000 21.333 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 22.248 ( 0.000 0.000 0.000) 0.000 22.248 ( 0.000 0.000 0.000) 0.000 23.453 ( 0.000 0.000 0.000) 0.000 23.709 ( 0.000 0.000 0.000) 0.000 23.709 ( 0.000 0.000 0.000) 0.000 23.987 ( 0.000 0.000 0.000) 0.000 23.987 ( 0.000 0.000 0.000) 0.000 24.000 ( 0.000 0.000 0.000) 0.000 24.031 ( 0.000 0.000 0.000) 0.000 24.031 ( 0.000 0.000 0.000) 0.000 24.243 ( 0.000 0.000 0.000) 0.000 24.386 ( 0.000 0.000 0.000) 0.000 25.292 ( 0.000 0.000 0.000) 0.000 26.484 ( 0.000 0.000 0.000) 0.000 26.490 ( 0.000 0.000 0.000) 0.000 27.581 ( 0.000 0.000 0.000) 0.000 27.992 ( 0.000 0.000 0.000) 0.000 27.992 ( 0.000 0.000 0.000) 0.000 28.841 ( 0.000 0.000 0.000) 0.000 28.841 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/68) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 44.730 25.078 1.914) 51.316 1.105 ( 47.042 28.502 -1.216) 55.016 1.879 ( 79.274 45.385 -0.484) 91.348 3.345 ( -2.458 -1.016 0.130) 2.663 3.657 ( -6.628 -4.376 -0.443) 7.955 4.198 ( -0.715 -0.420 0.273) 0.873 5.826 ( 0.658 -0.227 5.584) 5.628 5.880 ( 4.280 3.512 -7.229) 9.106 6.173 ( 4.111 2.664 -12.663) 13.578 6.229 ( 4.019 1.638 14.450) 15.088 6.827 ( 1.143 0.745 0.235) 1.385 7.201 ( -21.254 -11.438 -2.948) 24.316 7.377 ( -15.204 -7.216 -0.686) 16.843 7.451 ( -5.130 -12.633 -0.195) 13.636 7.603 ( -6.503 5.152 4.237) 9.316 7.831 ( 4.544 4.069 -0.148) 6.102 8.077 ( -7.036 -1.322 5.370) 8.950 8.098 ( -9.831 -10.991 3.136) 15.076 8.240 ( -13.696 -9.343 -4.679) 17.227 8.572 ( -12.096 -13.206 -8.830) 19.967 8.629 ( -10.558 1.841 3.784) 11.366 8.781 ( 2.594 0.055 -1.105) 2.820 8.799 ( -11.793 -2.864 1.083) 12.184 8.872 ( -6.336 -7.066 -1.706) 9.643 9.053 ( -3.519 -0.848 2.429) 4.359 9.162 ( -5.135 2.726 -2.424) 6.299 9.181 ( -1.171 -10.263 -0.909) 10.369 9.341 ( -12.882 3.655 -3.701) 13.892 9.376 ( -0.230 -4.903 -1.452) 5.119 9.512 ( -4.066 -7.022 5.926) 10.048 9.727 ( 2.186 1.220 3.256) 4.107 9.971 ( -1.785 -6.180 8.354) 10.543 10.100 ( 2.513 9.142 -8.469) 12.713 10.368 ( -6.866 -3.321 0.569) 7.648 10.511 ( -6.814 3.517 0.814) 7.711 10.598 ( -0.677 -6.782 -0.092) 6.816 10.657 ( -0.717 -4.362 -6.782) 8.096 10.781 ( -5.220 -7.994 -5.554) 11.046 10.808 ( -4.846 0.286 1.446) 5.066 10.948 ( 3.443 4.752 5.065) 7.752 10.989 ( -2.538 -3.265 7.383) 8.462 11.126 ( -10.382 -0.236 0.496) 10.397 11.217 ( 5.993 -1.009 -12.130) 13.567 11.315 ( 3.495 2.695 -2.954) 5.310 11.463 ( 8.291 -9.065 19.000) 22.625 11.583 ( 2.467 16.569 -9.147) 19.087 11.664 ( -0.353 8.031 1.842) 8.247 11.816 ( 13.468 -9.359 -10.730) 19.599 11.978 ( -5.291 -3.165 -1.563) 6.361 12.017 ( 10.016 14.670 0.751) 17.779 12.105 ( 5.705 4.759 0.744) 7.467 12.337 ( -0.051 1.973 5.637) 5.973 12.485 ( 11.156 5.025 6.143) 13.690 12.757 ( -6.523 -5.909 6.642) 11.026 12.796 ( 2.729 -2.681 -1.239) 4.021 12.869 ( 5.036 4.287 -7.948) 10.340 13.116 ( 5.653 3.076 -0.307) 6.443 13.229 ( -4.760 -1.937 10.285) 11.497 13.295 ( -7.407 -4.695 -3.910) 9.602 13.476 ( -1.162 -6.450 3.661) 7.507 13.510 ( -5.534 3.097 0.737) 6.384 13.641 ( 1.230 2.414 -3.982) 4.816 13.880 ( -7.920 -0.998 9.304) 12.259 14.016 ( -9.942 -0.679 4.509) 10.938 14.190 ( 9.456 -4.415 -6.075) 12.075 14.236 ( 11.989 11.283 -6.673) 17.765 14.276 ( 11.299 -5.568 -9.281) 15.646 14.433 ( -0.994 2.254 6.042) 6.525 14.440 ( 4.986 5.879 -0.121) 7.710 14.559 ( -0.468 1.271 -7.792) 7.909 14.879 ( -2.518 -4.250 1.350) 5.121 15.035 ( -6.608 -0.878 2.360) 7.071 15.120 ( -1.117 1.649 -0.691) 2.109 15.200 ( 3.518 0.411 1.030) 3.688 15.273 ( -4.789 2.486 2.646) 6.009 15.441 ( 6.795 0.943 -4.947) 8.458 15.508 ( -3.219 2.441 -0.227) 4.046 15.567 ( 8.604 -0.589 2.336) 8.935 15.726 ( 7.021 -1.654 -0.118) 7.214 16.004 ( 9.393 11.032 1.856) 14.607 16.087 ( 8.129 5.061 -4.361) 10.522 16.254 ( -5.110 3.304 -1.382) 6.240 16.351 ( 3.315 -8.780 -7.288) 11.882 16.552 ( 6.964 8.188 6.631) 12.630 16.636 ( 4.344 0.748 -4.410) 6.235 16.720 ( -0.834 -0.299 3.544) 3.653 16.951 ( 6.627 2.589 -0.141) 7.116 17.003 ( 4.829 4.034 5.020) 8.049 17.302 ( -3.409 -1.154 2.431) 4.342 17.442 ( -5.340 -3.183 4.097) 7.445 17.506 ( 5.632 3.490 -6.153) 9.042 17.707 ( 0.919 0.739 1.898) 2.235 17.898 ( -0.544 -0.423 0.028) 0.690 18.046 ( 4.239 1.672 0.563) 4.591 18.100 ( 5.957 4.284 -0.041) 7.338 18.445 ( -1.786 1.245 -1.792) 2.819 18.500 ( 5.011 0.146 3.437) 6.078 19.122 ( -3.747 -2.226 0.323) 4.371 19.327 ( -5.748 -5.176 1.096) 7.812 19.412 ( -6.580 -0.796 -4.756) 8.158 19.547 ( -3.375 -2.409 3.707) 5.561 19.612 ( 2.089 -0.054 -3.327) 3.929 19.775 ( 7.164 4.784 0.039) 8.615 19.947 ( 9.692 5.624 0.547) 11.219 20.710 ( -11.281 -4.574 9.282) 15.308 20.784 ( -2.399 -4.196 -11.179) 12.179 21.071 ( -3.908 -2.597 0.608) 4.732 21.186 ( 2.929 3.889 -3.537) 6.018 21.300 ( 6.278 2.159 2.397) 7.058 21.395 ( 6.167 3.682 0.318) 7.190 21.622 ( -0.661 0.986 -5.547) 5.672 21.709 ( -0.357 -1.307 5.322) 5.492 22.232 ( -1.242 -0.684 -0.224) 1.435 23.372 ( -4.085 -0.743 -2.482) 4.837 23.506 ( -1.365 -8.925 -4.824) 10.237 23.516 ( -8.759 0.872 4.241) 9.770 23.760 ( 4.546 1.402 3.514) 5.914 23.880 ( -0.402 -2.656 2.964) 4.001 23.921 ( -8.966 6.499 -2.722) 11.403 24.047 ( 5.150 -6.749 1.440) 8.611 24.211 ( 6.333 3.287 -0.204) 7.138 24.322 ( 6.335 6.583 -4.844) 10.341 24.397 ( 1.036 0.571 0.770) 1.411 25.126 ( -3.556 -2.340 4.527) 6.214 25.295 ( 0.213 0.189 -1.109) 1.145 26.438 ( -4.252 -2.477 2.221) 5.399 26.481 ( -0.585 -0.327 -2.673) 2.755 27.480 ( -8.329 -4.810 0.016) 9.618 27.983 ( -1.411 0.671 -0.142) 1.569 27.990 ( 0.459 -1.262 0.201) 1.358 28.865 ( 2.040 1.223 0.127) 2.382 30.748 ( -2.525 -1.466 0.286) 2.934 ======================= Grid point 2 (3/68) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 39.891 24.908 2.470) 47.094 2.173 ( 44.711 26.410 -0.814) 51.935 3.111 ( 5.896 1.338 -0.949) 6.120 3.345 ( 3.244 3.183 -1.135) 4.685 3.980 ( 59.424 33.589 0.606) 68.263 4.172 ( -1.520 -0.908 0.126) 1.775 5.822 ( -0.409 -4.042 9.052) 9.922 6.005 ( 4.629 4.285 -7.473) 9.779 6.222 ( -5.907 0.695 -19.029) 19.937 6.393 ( 8.494 2.235 20.636) 22.428 6.521 ( -19.719 -14.925 -10.084) 26.708 6.846 ( -15.978 -7.594 5.962) 18.668 7.056 ( -1.901 -3.831 2.053) 4.744 7.276 ( -12.543 2.489 0.977) 12.825 7.463 ( -10.161 -6.042 3.481) 12.323 7.659 ( -13.941 -8.671 0.164) 16.418 7.807 ( -12.673 5.796 -1.346) 14.001 7.912 ( -16.091 -9.061 -4.686) 19.052 8.047 ( 3.219 -10.554 9.107) 14.307 8.167 ( -12.437 -17.665 -8.331) 23.154 8.401 ( -10.352 -6.909 6.022) 13.826 8.466 ( -22.153 -9.412 -7.311) 25.155 8.649 ( -6.900 0.637 -0.887) 6.986 8.835 ( 3.190 -0.602 1.972) 3.799 8.936 ( -8.739 2.706 -1.422) 9.258 8.963 ( -7.604 -8.056 -1.814) 11.226 9.050 ( -3.267 -4.763 -2.218) 6.187 9.211 ( -8.040 -5.406 -0.546) 9.704 9.364 ( -0.589 3.467 1.498) 3.822 9.518 ( 3.487 -11.767 1.455) 12.358 9.705 ( -1.509 -3.668 -0.869) 4.060 9.944 ( -1.361 12.051 8.990) 15.096 10.112 ( -6.480 -0.224 -7.847) 10.179 10.247 ( -10.693 0.067 7.964) 13.333 10.341 ( -10.061 -3.569 0.724) 10.700 10.413 ( -7.139 -12.723 -4.438) 15.250 10.596 ( -11.422 -3.125 -5.956) 13.255 10.622 ( 0.669 -1.912 -2.094) 2.913 10.761 ( -3.677 -5.078 17.358) 18.456 10.866 ( -0.871 -4.409 -4.861) 6.621 10.924 ( -4.045 -5.535 -5.939) 9.070 11.053 ( 0.330 5.935 2.349) 6.391 11.303 ( -3.732 -8.194 2.635) 9.381 11.361 ( -1.382 -2.984 -5.677) 6.560 11.478 ( -2.200 4.038 -0.235) 4.604 11.602 ( 5.129 -3.789 -3.039) 7.064 11.780 ( 2.061 15.571 -3.963) 16.199 11.891 ( 8.992 7.170 5.853) 12.904 12.110 ( 3.293 -3.336 -2.559) 5.340 12.195 ( 14.818 1.386 -5.226) 15.773 12.225 ( -9.453 5.295 -1.519) 10.941 12.380 ( 6.138 6.735 1.637) 9.258 12.588 ( -1.682 6.329 4.224) 7.793 12.760 ( 7.229 -8.490 -0.148) 11.152 12.797 ( 3.902 1.060 -8.302) 9.235 12.996 ( 6.305 -8.756 6.306) 12.497 13.135 ( -8.755 7.507 8.814) 14.515 13.276 ( 7.341 5.307 -6.497) 11.147 13.385 ( -4.459 -0.640 7.405) 8.668 13.437 ( 3.368 2.786 2.650) 5.111 13.476 ( 13.427 8.758 8.488) 18.139 13.632 ( 0.857 -2.332 -0.261) 2.498 13.848 ( 3.358 1.047 -0.463) 3.548 13.923 ( -2.834 3.137 5.497) 6.934 14.167 ( 1.111 -11.786 -14.359) 18.610 14.211 ( -9.162 -12.192 6.880) 16.731 14.329 ( 4.225 -0.180 -2.339) 4.833 14.524 ( 0.800 6.089 -2.055) 6.476 14.578 ( 3.091 5.726 -7.306) 9.784 14.731 ( 13.597 -1.036 2.359) 13.839 14.938 ( 0.921 12.814 -8.118) 15.197 14.979 ( 0.699 -0.687 -1.488) 1.782 15.146 ( -8.318 9.893 6.333) 14.393 15.186 ( -3.004 4.226 7.853) 9.410 15.330 ( 6.158 1.367 1.602) 6.508 15.565 ( 13.838 -0.935 -4.914) 14.714 15.573 ( 7.654 0.755 -6.593) 10.130 15.767 ( 9.200 -0.728 2.019) 9.447 15.826 ( 2.947 2.325 -1.182) 3.936 16.050 ( -0.253 -9.774 2.595) 10.116 16.236 ( 3.731 6.407 -4.458) 8.651 16.296 ( 1.639 10.827 -9.724) 14.645 16.393 ( 0.332 -3.964 -4.931) 6.335 16.558 ( 1.025 3.491 -2.589) 4.465 16.745 ( 4.308 7.598 9.257) 12.728 16.834 ( 8.397 -0.978 2.611) 8.848 16.984 ( -4.391 -3.854 7.404) 9.431 17.092 ( 3.892 -1.130 8.839) 9.724 17.362 ( 7.590 6.757 -1.771) 10.316 17.438 ( 1.942 -1.341 3.683) 4.374 17.645 ( 3.205 11.165 -8.500) 14.393 17.812 ( 2.791 -1.442 -1.844) 3.642 17.910 ( 9.767 0.753 2.499) 10.109 18.114 ( -1.132 6.016 -2.822) 6.741 18.197 ( 3.269 0.676 4.059) 5.256 18.437 ( -1.633 3.723 -1.465) 4.321 18.604 ( 6.267 -2.087 5.569) 8.640 19.042 ( -3.226 -2.202 1.420) 4.156 19.157 ( -5.585 -6.838 -1.549) 8.964 19.311 ( -5.214 2.491 -2.938) 6.482 19.450 ( -3.548 -4.288 4.105) 6.915 19.651 ( 2.244 0.001 -2.409) 3.292 19.893 ( 2.410 2.156 -0.341) 3.252 20.198 ( 10.559 6.462 -2.930) 12.722 20.495 ( -7.644 -4.798 -0.611) 9.046 20.693 ( -4.008 -3.132 -0.671) 5.130 20.974 ( -2.153 -3.069 0.714) 3.816 21.250 ( -1.108 4.890 -3.523) 6.128 21.390 ( 4.785 -2.315 0.641) 5.354 21.572 ( 4.608 4.935 -4.320) 8.015 21.610 ( -0.206 3.782 -1.988) 4.277 21.718 ( 3.655 -2.153 7.750) 8.835 22.201 ( -1.405 -0.594 -1.479) 2.124 23.136 ( -17.505 -6.243 -1.133) 18.619 23.312 ( -0.782 -7.280 -2.736) 7.816 23.546 ( -2.102 2.001 3.259) 4.364 23.839 ( -3.739 6.555 -3.592) 8.357 23.851 ( -0.660 1.725 -0.261) 1.866 23.903 ( 7.622 -4.396 7.538) 11.587 24.067 ( 3.025 -3.010 -1.047) 4.394 24.325 ( 5.615 1.598 -4.819) 7.570 24.423 ( 1.354 1.740 -1.007) 2.424 24.523 ( 5.750 8.431 1.300) 10.288 25.015 ( -4.569 -4.748 5.529) 8.602 25.310 ( 1.186 1.072 -0.883) 1.826 26.276 ( -9.949 -5.829 3.287) 11.990 26.481 ( 0.999 0.634 -4.102) 4.269 27.236 ( -11.911 -6.903 0.270) 13.769 27.961 ( -1.756 0.678 -0.200) 1.893 27.984 ( 0.547 -1.572 0.265) 1.685 28.927 ( 2.923 1.899 0.192) 3.491 30.670 ( -3.978 -2.338 0.409) 4.632 ======================= Grid point 3 (4/68) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 7.913 8.199 0.620) 11.412 3.040 ( 1.216 -0.574 4.588) 4.781 3.181 ( 40.703 22.057 -3.714) 46.444 3.657 ( 26.499 17.515 0.109) 31.765 4.128 ( -2.521 -1.140 -1.025) 2.951 5.260 ( 10.062 6.566 -0.106) 12.015 5.491 ( -27.044 -18.131 2.317) 32.642 5.895 ( 20.517 0.799 -2.945) 20.743 6.185 ( 10.251 3.726 -8.399) 13.766 6.338 ( 6.114 7.044 -4.912) 10.542 6.572 ( -0.376 2.024 12.815) 12.979 6.745 ( -0.327 14.595 2.648) 14.837 7.008 ( -2.183 -2.103 0.775) 3.129 7.045 ( -3.773 -3.964 5.896) 8.045 7.330 ( -0.874 -4.034 3.073) 5.146 7.440 ( -16.723 -9.127 -6.605) 20.164 7.524 ( -6.721 8.549 -1.493) 10.976 7.679 ( -14.137 -7.775 -7.934) 17.980 7.782 ( -7.210 -4.301 3.730) 9.187 7.973 ( 2.033 -21.467 -0.806) 21.578 8.033 ( -14.723 -6.197 -8.146) 17.931 8.193 ( -8.156 -6.497 9.548) 14.139 8.479 ( -13.324 -0.416 -1.756) 13.446 8.761 ( -5.898 -4.982 -2.729) 8.188 8.836 ( -2.978 -2.859 0.568) 4.167 8.920 ( 2.254 2.297 7.979) 8.604 8.935 ( -5.844 -8.052 0.875) 9.988 9.069 ( -1.973 -5.697 -3.617) 7.031 9.225 ( -14.225 -5.454 -0.945) 15.264 9.489 ( 0.235 0.468 4.191) 4.224 9.609 ( -10.399 -5.073 -1.037) 11.616 9.719 ( -12.342 -4.574 -1.007) 13.200 9.974 ( -8.357 0.817 -3.735) 9.190 10.130 ( -2.016 1.201 1.049) 2.570 10.165 ( -1.113 -6.729 1.137) 6.915 10.351 ( -0.038 3.380 3.811) 5.094 10.399 ( -6.174 5.777 -4.589) 9.620 10.536 ( -9.403 -3.711 1.066) 10.165 10.677 ( 2.353 -1.250 3.013) 4.022 10.751 ( -1.891 -11.993 -10.235) 15.880 10.915 ( -1.145 -2.351 4.897) 5.551 10.999 ( -8.009 0.274 4.936) 9.412 11.176 ( 4.307 -1.192 -1.616) 4.752 11.300 ( -0.512 -3.391 0.548) 3.473 11.585 ( 2.270 9.558 1.328) 9.914 11.765 ( 7.118 -2.801 -10.508) 12.998 11.948 ( 0.562 9.076 4.413) 10.108 11.978 ( 1.075 -3.350 -4.795) 5.948 12.097 ( 6.133 -1.468 5.069) 8.091 12.205 ( -0.102 3.322 0.342) 3.341 12.406 ( 2.839 3.541 -2.804) 5.335 12.594 ( 9.393 10.273 -3.354) 14.318 12.651 ( -1.427 11.135 0.837) 11.257 12.777 ( 5.149 -5.779 -0.535) 7.759 12.817 ( 1.797 -6.956 5.130) 8.828 12.973 ( 1.366 -7.260 3.678) 8.253 13.113 ( -5.662 10.661 -5.938) 13.452 13.287 ( -4.452 2.591 6.425) 8.235 13.449 ( 4.645 -2.437 -3.929) 6.554 13.537 ( 1.592 -1.578 -5.805) 6.223 13.602 ( 3.603 2.832 3.041) 5.500 13.735 ( 3.508 -4.763 8.628) 10.461 13.842 ( -4.394 2.995 -0.176) 5.321 13.940 ( -4.756 -6.065 5.257) 9.329 14.107 ( 13.703 0.317 6.511) 15.174 14.164 ( 9.318 2.702 -8.187) 12.694 14.460 ( 9.389 -1.441 -5.528) 10.990 14.575 ( -2.984 8.032 1.204) 8.653 14.690 ( 4.754 0.200 -0.968) 4.856 14.782 ( -0.689 4.230 6.009) 7.381 14.901 ( -4.726 -4.112 -0.527) 6.287 15.055 ( -4.618 -1.344 -3.610) 6.014 15.077 ( -5.062 0.222 4.514) 6.786 15.239 ( 4.607 7.687 -9.032) 12.724 15.371 ( -4.406 2.287 0.019) 4.964 15.628 ( 0.298 -6.346 0.351) 6.362 15.775 ( -2.870 1.637 -5.829) 6.700 15.891 ( 8.376 0.082 0.014) 8.376 15.909 ( 6.710 11.121 0.785) 13.012 16.091 ( 13.104 -6.154 -0.267) 14.480 16.251 ( -5.672 1.890 0.259) 5.984 16.371 ( 6.830 -0.414 -0.691) 6.877 16.499 ( 8.604 5.238 -10.144) 14.295 16.729 ( 7.044 4.431 -4.714) 9.565 16.797 ( -7.680 4.979 11.405) 14.623 16.887 ( 2.308 0.391 3.107) 3.890 16.997 ( 6.959 2.531 5.927) 9.485 17.124 ( 3.693 -3.398 10.297) 11.455 17.370 ( -2.169 -3.451 0.239) 4.083 17.606 ( -0.396 3.491 -3.555) 4.998 17.676 ( 2.784 1.188 -4.742) 5.625 17.884 ( 7.818 -3.917 -5.894) 10.545 18.067 ( -6.119 2.270 -4.162) 7.740 18.123 ( 6.560 8.359 -0.028) 10.626 18.326 ( 4.460 4.975 8.823) 11.067 18.469 ( -0.468 6.613 0.399) 6.642 18.614 ( -0.881 -5.426 4.520) 7.117 18.881 ( -10.921 -4.402 -2.818) 12.108 19.057 ( 0.875 -4.745 0.634) 4.866 19.358 ( -1.746 -2.185 3.902) 4.801 19.375 ( 7.406 3.979 0.191) 8.409 19.684 ( 1.418 -0.041 -2.607) 2.968 19.917 ( -0.305 0.593 0.747) 1.001 20.315 ( -6.982 -6.325 -4.536) 10.456 20.377 ( 2.804 2.845 -6.916) 7.986 20.627 ( -0.503 0.980 6.267) 6.363 20.967 ( 2.909 -1.095 -0.018) 3.108 21.250 ( -3.147 3.421 -1.261) 4.817 21.421 ( 2.591 -3.274 0.964) 4.285 21.557 ( -3.801 2.223 -5.923) 7.380 21.715 ( 2.493 0.209 -1.993) 3.198 21.836 ( 8.999 3.527 9.470) 13.532 22.173 ( -1.384 -0.405 -3.680) 3.952 22.796 ( -13.365 -6.029 -0.635) 14.676 23.231 ( -1.526 -4.568 -1.278) 4.982 23.493 ( -4.218 1.050 2.582) 5.056 23.834 ( -1.181 1.912 -1.975) 2.991 23.868 ( 0.307 1.023 -1.137) 1.560 24.006 ( 6.442 -2.359 5.887) 9.040 24.096 ( 1.599 0.460 -3.390) 3.777 24.413 ( 2.279 0.986 -1.333) 2.818 24.495 ( 4.119 2.743 -1.168) 5.085 24.676 ( 2.394 8.356 2.540) 9.055 24.893 ( -2.417 -6.960 1.770) 7.577 25.375 ( 4.446 3.386 -0.272) 5.595 25.990 ( -13.873 -8.187 2.476) 16.297 26.537 ( 3.722 2.246 -3.587) 5.636 26.976 ( -9.958 -5.833 1.027) 11.586 27.941 ( -1.083 0.285 -0.140) 1.128 27.979 ( 0.319 -0.961 0.180) 1.028 28.991 ( 2.139 1.486 0.145) 2.609 30.583 ( -3.124 -1.861 0.292) 3.648 ======================= Grid point 4 (5/68) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 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| 2.695 ( 0.000 0.000 -0.000) 0.000 3.050 ( 0.000 0.000 -0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 -0.000) 0.000 4.802 ( -0.000 -0.000 -0.000) 0.000 4.994 ( 0.000 -0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 -0.000) 0.000 6.599 ( -0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.823 ( -0.000 -0.000 -0.000) 0.000 6.960 ( -0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.253 ( -0.000 -0.000 -0.000) 0.000 7.481 ( -0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 -0.000) 0.000 7.642 ( -0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 -0.000) 0.000 7.951 ( 0.000 -0.000 -0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.158 ( -0.000 -0.000 0.000) 0.000 8.654 ( 0.000 -0.000 0.000) 0.000 8.724 ( 0.000 -0.000 0.000) 0.000 8.777 ( 0.000 0.000 -0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 -0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 -0.000 -0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 -0.000) 0.000 9.975 ( 0.000 -0.000 -0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 -0.000) 0.000 10.340 ( -0.000 -0.000 -0.000) 0.000 10.547 ( -0.000 -0.000 -0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.719 ( 0.000 0.000 -0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 -0.000) 0.000 11.224 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 -0.000 0.000) 0.000 11.782 ( 0.000 0.000 -0.000) 0.000 11.917 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 -0.000) 0.000 12.102 ( 0.000 0.000 -0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 -0.000) 0.000 12.674 ( -0.000 0.000 -0.000) 0.000 12.737 ( 0.000 -0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 -0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.259 ( -0.000 0.000 -0.000) 0.000 13.385 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 -0.000) 0.000 13.675 ( 0.000 -0.000 0.000) 0.000 13.712 ( 0.000 0.000 -0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 -0.000) 0.000 14.193 ( 0.000 -0.000 0.000) 0.000 14.415 ( 0.000 0.000 -0.000) 0.000 14.559 ( -0.000 0.000 0.000) 0.000 14.576 ( 0.000 -0.000 -0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 14.844 ( -0.000 0.000 -0.000) 0.000 14.868 ( -0.000 0.000 0.000) 0.000 14.883 ( 0.000 -0.000 0.000) 0.000 14.971 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 -0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.515 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 -0.000) 0.000 15.903 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 -0.000 0.000) 0.000 16.120 ( -0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 -0.000) 0.000 16.402 ( -0.000 0.000 -0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 -0.000) 0.000 16.946 ( 0.000 0.000 -0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 17.342 ( 0.000 0.000 -0.000) 0.000 17.533 ( 0.000 -0.000 0.000) 0.000 17.746 ( 0.000 0.000 0.000) 0.000 17.870 ( 0.000 0.000 -0.000) 0.000 18.146 ( 0.000 0.000 -0.000) 0.000 18.224 ( -0.000 0.000 -0.000) 0.000 18.330 ( -0.000 0.000 0.000) 0.000 18.509 ( 0.000 0.000 0.000) 0.000 18.581 ( 0.000 0.000 0.000) 0.000 18.715 ( 0.000 0.000 -0.000) 0.000 19.055 ( 0.000 0.000 -0.000) 0.000 19.321 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 -0.000) 0.000 19.920 ( 0.000 0.000 0.000) 0.000 20.178 ( -0.000 -0.000 -0.000) 0.000 20.409 ( 0.000 0.000 0.000) 0.000 20.647 ( 0.000 0.000 -0.000) 0.000 20.999 ( 0.000 -0.000 -0.000) 0.000 21.235 ( 0.000 0.000 -0.000) 0.000 21.427 ( 0.000 -0.000 0.000) 0.000 21.527 ( 0.000 0.000 -0.000) 0.000 21.734 ( 0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 0.000) 0.000 22.147 ( 0.000 0.000 -0.000) 0.000 22.630 ( -0.000 0.000 0.000) 0.000 23.190 ( 0.000 0.000 -0.000) 0.000 23.459 ( 0.000 0.000 0.000) 0.000 23.834 ( 0.000 0.000 -0.000) 0.000 23.875 ( 0.000 0.000 0.000) 0.000 24.053 ( 0.000 0.000 -0.000) 0.000 24.115 ( 0.000 0.000 -0.000) 0.000 24.437 ( 0.000 0.000 -0.000) 0.000 24.552 ( 0.000 0.000 -0.000) 0.000 24.766 ( 0.000 -0.000 -0.000) 0.000 24.811 ( 0.000 0.000 0.000) 0.000 25.489 ( 0.000 0.000 -0.000) 0.000 25.757 ( 0.000 0.000 0.000) 0.000 26.609 ( 0.000 0.000 -0.000) 0.000 26.832 ( 0.000 -0.000 -0.000) 0.000 27.932 ( 0.000 0.000 0.000) 0.000 27.977 ( 0.000 0.000 -0.000) 0.000 29.018 ( 0.000 0.000 0.000) 0.000 30.544 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 10 (6/68) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 25.473 42.571 5.695) 49.936 1.862 ( 27.407 45.823 1.374) 53.412 2.992 ( 19.635 36.702 -2.449) 41.695 3.316 ( 1.111 -0.531 -2.874) 3.127 3.714 ( 16.743 31.018 2.160) 35.314 4.182 ( -0.745 -1.247 -0.658) 1.595 5.849 ( -2.373 3.078 -15.394) 15.877 5.925 ( 4.167 0.151 12.839) 13.499 6.246 ( 3.660 3.307 16.194) 16.929 6.346 ( 2.695 8.812 -21.955) 23.810 6.713 ( -10.382 -18.711 -0.624) 21.407 6.933 ( -8.207 -14.084 -2.356) 16.470 7.035 ( -10.312 -6.013 0.789) 11.963 7.355 ( -0.761 -22.339 6.724) 23.342 7.546 ( -2.833 -10.229 -0.622) 10.633 7.653 ( -8.003 -6.538 1.911) 10.510 7.832 ( -3.888 -17.407 0.503) 17.843 7.980 ( -10.641 -10.849 -3.239) 15.538 8.065 ( -7.074 -6.516 0.486) 9.630 8.385 ( -13.127 -9.013 -3.213) 16.244 8.477 ( -10.331 -10.144 3.815) 14.972 8.571 ( 4.083 -12.892 -0.579) 13.536 8.712 ( -3.532 -8.093 3.089) 9.355 8.750 ( -5.619 -1.656 -0.403) 5.872 8.974 ( 4.133 -8.958 5.164) 11.135 9.054 ( -4.032 -4.184 0.290) 5.818 9.145 ( -8.249 -2.581 -1.597) 8.789 9.263 ( -7.834 -3.609 -0.147) 8.626 9.288 ( 5.011 -8.262 -1.528) 9.783 9.553 ( -3.812 10.959 -0.711) 11.624 9.709 ( -2.686 -0.085 1.898) 3.290 9.934 ( 1.182 -7.171 5.284) 8.985 10.122 ( 1.937 -9.488 -0.247) 9.687 10.318 ( -3.274 -0.545 -4.393) 5.506 10.334 ( 3.900 -10.004 -1.888) 10.902 10.477 ( -1.999 -7.464 4.927) 9.164 10.605 ( -15.261 -1.626 -8.760) 17.671 10.705 ( -2.001 -7.987 12.170) 14.694 10.802 ( -5.006 0.966 2.995) 5.913 10.830 ( 0.512 -5.908 -4.835) 7.652 11.058 ( -4.742 -1.462 -5.342) 7.291 11.103 ( 4.822 1.398 -8.068) 9.502 11.239 ( -8.546 -4.635 2.139) 9.955 11.364 ( -1.379 2.900 8.182) 8.790 11.387 ( 5.904 6.835 -3.952) 9.859 11.618 ( 5.932 -3.841 -2.633) 7.542 11.781 ( -7.967 4.055 -3.102) 9.462 11.803 ( 11.816 -9.749 -2.098) 15.462 12.059 ( 8.691 3.679 -1.219) 9.516 12.081 ( -10.224 10.474 1.357) 14.700 12.236 ( 6.053 4.252 1.969) 7.654 12.464 ( 11.247 -5.330 9.363) 15.575 12.547 ( 7.462 -2.216 5.166) 9.343 12.645 ( -15.346 7.601 0.408) 17.130 12.876 ( 0.466 10.226 -8.736) 13.458 12.953 ( -3.183 4.478 1.636) 5.733 13.124 ( 2.824 -3.450 5.869) 7.371 13.270 ( 4.707 2.595 -9.338) 10.774 13.340 ( 1.826 7.672 -1.046) 7.955 13.391 ( 8.817 10.797 2.007) 14.083 13.564 ( 2.355 -3.514 3.939) 5.780 13.689 ( -3.574 4.935 -8.899) 10.786 13.777 ( 2.090 -10.564 -8.958) 14.007 13.906 ( 1.208 0.227 -2.987) 3.230 14.178 ( -9.712 -1.650 6.807) 11.974 14.249 ( -9.178 8.087 6.432) 13.821 14.344 ( 2.333 -4.176 0.017) 4.783 14.532 ( 4.537 3.562 5.320) 7.847 14.594 ( -3.183 5.058 4.670) 7.585 14.639 ( 5.299 7.325 -0.640) 9.064 14.812 ( 10.470 2.153 3.403) 11.218 15.019 ( 7.592 -0.737 5.071) 9.159 15.101 ( -3.137 -3.934 -7.912) 9.376 15.221 ( 7.825 -3.761 -4.003) 9.561 15.266 ( 1.349 6.237 4.691) 7.920 15.530 ( -0.291 8.905 -4.473) 9.970 15.619 ( 9.361 6.590 5.000) 12.493 15.705 ( -5.936 12.030 0.245) 13.417 15.877 ( -8.006 7.630 3.549) 11.615 15.973 ( 7.152 0.677 7.998) 10.751 16.202 ( 3.866 -1.971 -5.683) 7.151 16.295 ( 2.988 3.240 -11.779) 12.577 16.405 ( 2.630 10.282 -3.757) 11.258 16.535 ( 0.414 -11.723 3.156) 12.148 16.719 ( 5.592 7.830 -2.511) 9.944 16.770 ( -0.547 7.929 -9.283) 12.221 17.018 ( -2.488 -0.187 1.224) 2.779 17.050 ( 0.576 1.589 -1.217) 2.083 17.327 ( 4.801 4.836 -1.160) 6.912 17.426 ( 0.345 3.094 6.448) 7.160 17.597 ( 6.286 0.005 12.817) 14.276 17.772 ( 5.683 11.186 -5.049) 13.524 17.917 ( -5.775 0.426 -0.375) 5.803 18.068 ( 5.794 1.177 1.121) 6.018 18.191 ( 1.322 2.455 -8.277) 8.734 18.446 ( 3.285 -1.554 8.180) 8.950 18.588 ( -0.238 8.514 1.432) 8.637 19.061 ( -2.120 -3.040 -0.779) 3.787 19.215 ( -7.621 -5.090 0.133) 9.166 19.302 ( 1.657 -7.327 -0.468) 7.527 19.539 ( -1.526 -2.286 -1.298) 3.040 19.599 ( -1.237 1.311 -2.328) 2.944 19.873 ( 2.811 3.637 0.808) 4.667 20.126 ( 6.425 10.686 0.933) 12.503 20.533 ( -5.200 -9.340 -9.105) 14.042 20.738 ( -2.857 -2.385 7.990) 8.814 20.976 ( -4.014 -5.128 -1.021) 6.592 21.267 ( 5.506 0.783 2.842) 6.245 21.381 ( -0.429 8.005 -2.571) 8.419 21.501 ( 4.001 5.003 6.061) 8.819 21.589 ( 1.428 -3.296 7.555) 8.366 21.727 ( -0.911 2.846 -9.144) 9.620 22.212 ( -0.517 -1.156 -1.813) 2.211 23.181 ( -6.589 -15.680 -1.567) 17.081 23.405 ( -6.366 -1.155 -2.292) 6.864 23.640 ( 3.118 -8.763 4.033) 10.137 23.643 ( 0.665 6.527 4.631) 8.030 23.851 ( 0.731 0.437 -0.242) 0.885 23.949 ( 2.094 1.528 -4.675) 5.346 24.106 ( -4.799 3.162 -3.691) 6.830 24.281 ( 1.860 5.495 -4.966) 7.636 24.413 ( 1.774 0.657 3.039) 3.579 24.456 ( 7.804 6.170 3.359) 10.500 25.056 ( -3.591 -3.836 1.662) 5.511 25.302 ( 0.634 0.606 -0.744) 1.150 26.336 ( -4.719 -8.047 0.246) 9.332 26.473 ( 0.040 -0.011 -0.147) 0.153 27.309 ( -6.679 -11.543 0.149) 13.337 27.861 ( -3.164 -5.612 -0.045) 6.443 28.108 ( 3.116 5.808 -0.713) 6.629 28.894 ( 1.107 1.614 -0.117) 1.961 30.692 ( -2.316 -3.959 0.193) 4.591 ======================= Grid point 11 (7/68) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 19.269 23.945 6.279) 31.370 2.815 ( 33.386 37.776 -0.983) 50.424 3.041 ( -5.028 -4.933 1.492) 7.200 3.458 ( 14.873 12.974 -3.715) 20.083 4.150 ( -1.325 -1.220 -0.473) 1.862 4.968 ( 46.303 55.041 0.140) 71.927 5.689 ( -17.099 -9.240 1.903) 19.529 5.920 ( -12.740 -10.420 -13.237) 21.121 6.157 ( -4.098 -7.214 -14.176) 16.425 6.342 ( -0.197 3.616 1.344) 3.863 6.522 ( -1.026 1.789 10.650) 10.848 6.751 ( 6.735 -3.131 -3.576) 8.244 6.920 ( 1.032 -12.348 -0.360) 12.396 7.048 ( -7.304 -20.185 8.530) 23.099 7.326 ( 0.162 -10.855 2.597) 11.163 7.460 ( -13.552 -11.943 -3.216) 18.348 7.660 ( -4.189 -16.997 -7.050) 18.872 7.707 ( 0.491 -8.977 6.632) 11.172 7.833 ( -11.075 4.620 -0.494) 12.010 8.080 ( -15.414 -1.563 -0.696) 15.509 8.292 ( -8.741 0.812 0.583) 8.797 8.390 ( -14.707 0.043 4.643) 15.423 8.606 ( -4.192 -3.046 4.901) 7.132 8.678 ( 3.240 -7.922 6.503) 10.750 8.874 ( -9.274 -3.177 -5.881) 11.431 8.968 ( -4.345 -5.758 1.562) 7.381 9.000 ( -1.360 0.186 0.393) 1.428 9.125 ( -5.995 -0.876 -1.534) 6.250 9.287 ( 1.844 -6.230 -4.297) 7.790 9.483 ( -8.987 1.152 4.932) 10.316 9.658 ( -1.576 -1.698 0.488) 2.368 9.846 ( -2.765 -18.920 -0.362) 19.124 10.004 ( -3.567 -13.441 6.300) 15.267 10.065 ( -13.557 -11.725 4.168) 18.402 10.260 ( -2.962 0.178 3.813) 4.831 10.401 ( -3.919 1.596 -6.538) 7.788 10.568 ( 13.241 -5.153 -2.363) 14.403 10.606 ( -12.561 -3.384 -7.819) 15.177 10.630 ( -1.731 -8.371 0.634) 8.572 10.714 ( -6.322 4.476 0.209) 7.749 10.979 ( -8.017 4.416 1.663) 9.302 11.107 ( -0.915 -5.998 0.879) 6.130 11.182 ( -1.467 2.594 0.738) 3.070 11.243 ( -4.141 -5.140 0.020) 6.601 11.526 ( 4.894 -12.756 -2.105) 13.824 11.656 ( 1.566 11.149 -3.972) 11.938 11.771 ( 13.790 -8.640 4.436) 16.867 11.963 ( -1.694 1.135 1.015) 2.277 12.050 ( -4.569 -3.816 -6.766) 9.012 12.140 ( 8.997 2.707 -5.758) 11.020 12.372 ( 3.081 0.636 -6.895) 7.579 12.409 ( 10.967 -9.706 5.159) 15.528 12.542 ( -1.267 4.259 3.396) 5.592 12.723 ( 9.245 -7.508 9.385) 15.163 12.915 ( -3.879 4.885 2.867) 6.865 12.930 ( -5.430 6.362 -4.688) 9.589 13.292 ( 8.693 6.708 3.278) 11.459 13.381 ( -4.800 6.369 -7.985) 11.285 13.463 ( -1.477 5.449 7.956) 9.755 13.518 ( 3.382 5.026 3.180) 6.841 13.591 ( 0.030 -4.303 -7.501) 8.648 13.730 ( -1.728 11.216 0.155) 11.350 13.810 ( 11.646 10.831 -2.208) 16.057 13.997 ( -4.558 -5.867 3.580) 8.247 14.025 ( -0.934 5.086 -2.299) 5.659 14.174 ( -2.837 6.981 -2.750) 8.021 14.355 ( 3.378 4.197 -1.102) 5.500 14.487 ( 3.489 -10.013 6.367) 12.368 14.701 ( 1.624 6.875 -1.643) 7.253 14.745 ( 1.554 5.316 -3.793) 6.713 14.968 ( -3.718 -1.015 0.914) 3.961 15.091 ( 4.576 5.939 -1.376) 7.623 15.215 ( 6.053 -6.204 4.198) 9.631 15.303 ( 2.517 2.780 7.283) 8.192 15.393 ( 2.966 7.976 3.824) 9.329 15.520 ( -3.543 -1.089 -1.001) 3.839 15.730 ( 5.165 6.274 -2.166) 8.411 15.789 ( 4.763 -0.297 -0.564) 4.806 15.958 ( 4.702 12.336 -1.520) 13.289 16.007 ( -4.085 4.184 2.860) 6.509 16.225 ( 2.814 0.021 0.402) 2.843 16.375 ( 3.065 4.137 -10.850) 12.010 16.471 ( -3.156 2.179 -3.507) 5.197 16.614 ( 9.639 -0.339 -12.156) 15.518 16.808 ( 5.318 1.386 -3.733) 6.644 16.899 ( 3.892 1.326 2.798) 4.974 16.952 ( -1.855 5.853 8.976) 10.875 17.068 ( -0.067 1.914 5.890) 6.194 17.398 ( -4.557 -1.444 7.156) 8.606 17.539 ( 9.838 6.940 -1.744) 12.165 17.681 ( 4.592 -8.678 -0.568) 9.835 17.791 ( -6.645 4.194 -1.137) 7.940 18.098 ( 9.574 13.213 -1.634) 16.399 18.174 ( -1.003 0.117 -11.526) 11.570 18.196 ( 8.408 -1.199 7.424) 11.281 18.492 ( 3.310 -2.793 9.254) 10.218 18.637 ( -3.506 5.374 3.562) 7.338 18.961 ( -4.879 -7.868 0.381) 9.266 19.090 ( -4.573 4.345 0.875) 6.368 19.305 ( 3.692 -0.641 -2.360) 4.428 19.444 ( -6.677 2.416 -0.025) 7.101 19.626 ( 3.342 -1.284 -2.467) 4.348 19.913 ( 0.393 -0.720 1.496) 1.706 20.305 ( 4.260 -0.867 -6.313) 7.666 20.383 ( -4.157 -0.035 -5.071) 6.557 20.649 ( -2.870 -4.735 8.666) 10.284 20.907 ( 0.591 -0.726 -1.414) 1.696 21.322 ( 1.673 -1.740 2.125) 3.216 21.430 ( -3.740 8.751 -1.179) 9.590 21.566 ( 2.258 -4.538 7.711) 9.227 21.658 ( 5.535 1.522 -3.178) 6.561 21.757 ( 2.262 5.192 -2.438) 6.166 22.196 ( -0.837 0.052 -3.211) 3.318 22.873 ( -9.144 -16.451 -3.474) 19.140 23.291 ( -6.219 1.761 -0.354) 6.473 23.550 ( -2.699 -3.827 5.131) 6.947 23.801 ( 7.508 -1.087 6.000) 9.673 23.873 ( 1.040 0.976 -2.614) 2.978 23.964 ( -2.766 5.252 -3.177) 6.732 24.086 ( 0.217 2.681 -5.780) 6.375 24.374 ( 3.525 2.787 -3.076) 5.446 24.445 ( 2.044 0.119 0.744) 2.178 24.651 ( 7.677 2.813 1.884) 8.390 24.944 ( -6.071 -0.081 4.692) 7.673 25.340 ( 2.811 1.908 -0.419) 3.423 26.108 ( -10.408 -11.126 1.708) 15.331 26.500 ( 2.492 1.588 -2.226) 3.700 27.062 ( -8.541 -9.804 0.568) 13.015 27.772 ( 1.047 -8.675 0.010) 8.738 28.199 ( -2.959 12.112 -0.653) 12.486 28.934 ( 3.079 -1.358 -0.138) 3.368 30.603 ( -2.824 -4.030 0.428) 4.939 ======================= Grid point 12 (8/68) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -4.366 3.326 1.701) 5.746 3.019 ( 2.865 -1.392 1.553) 3.544 3.703 ( 27.318 26.255 0.203) 37.889 4.065 ( 5.887 9.901 -4.795) 12.477 4.196 ( 20.325 21.721 1.968) 29.812 5.025 ( -32.140 -16.862 -4.195) 36.536 5.159 ( -23.599 -13.375 -1.544) 27.169 6.183 ( 2.419 1.268 -3.425) 4.381 6.235 ( 11.919 -4.310 -2.107) 12.848 6.441 ( 16.871 -8.696 -2.655) 19.165 6.532 ( 10.101 7.610 -3.337) 13.079 6.827 ( 4.609 -13.921 5.199) 15.558 6.841 ( 4.181 -12.109 1.352) 12.882 7.054 ( -3.693 -3.795 -3.081) 6.126 7.114 ( 16.482 13.731 1.403) 21.498 7.305 ( 2.332 -6.328 -6.443) 9.327 7.498 ( -3.573 1.557 -7.138) 8.133 7.646 ( -12.572 2.611 8.270) 15.273 7.706 ( -3.735 3.057 10.091) 11.186 8.033 ( -2.106 17.186 1.410) 17.371 8.080 ( -15.710 4.445 3.233) 16.644 8.176 ( -9.635 5.999 -2.681) 11.662 8.452 ( -21.318 -2.090 -5.651) 22.153 8.615 ( -1.248 -5.428 7.415) 9.274 8.741 ( -5.011 -4.071 7.634) 9.998 8.812 ( -2.828 -2.737 3.561) 5.307 8.905 ( -1.628 -2.785 -4.245) 5.332 9.066 ( 0.621 0.038 -4.478) 4.521 9.200 ( -5.834 2.215 -1.430) 6.402 9.364 ( -5.327 -15.654 -0.530) 16.545 9.514 ( 0.466 -5.958 4.600) 7.541 9.615 ( -1.072 -4.325 1.042) 4.576 9.819 ( 0.764 -12.110 0.973) 12.173 9.941 ( 4.684 -4.492 5.633) 8.593 10.225 ( 0.030 -10.301 -0.918) 10.342 10.342 ( -4.897 -1.385 -4.592) 6.855 10.459 ( -8.844 -2.016 -0.965) 9.122 10.526 ( 2.386 3.832 2.444) 5.133 10.583 ( -2.923 0.058 -0.292) 2.938 10.761 ( 1.693 5.278 -3.291) 6.446 10.949 ( -1.977 9.226 2.474) 9.754 11.019 ( -4.980 -1.491 5.176) 7.336 11.150 ( 1.058 -2.528 -4.297) 5.097 11.249 ( 5.723 -1.741 3.102) 6.738 11.497 ( 7.177 -14.114 -5.919) 16.904 11.724 ( 1.587 -10.299 -2.327) 10.677 11.872 ( 0.953 -0.212 1.132) 1.495 11.906 ( 5.139 -10.111 3.904) 11.995 12.029 ( 9.746 -2.240 -3.807) 10.701 12.205 ( 1.410 -4.763 -2.735) 5.671 12.481 ( 3.510 0.715 -6.694) 7.592 12.547 ( 4.931 -6.494 4.451) 9.290 12.579 ( 1.505 -4.220 1.443) 4.707 12.771 ( 7.891 -1.829 3.647) 8.883 12.879 ( -1.395 3.593 4.202) 5.702 12.951 ( -2.710 9.922 -2.322) 10.545 13.236 ( -9.380 1.543 2.423) 9.810 13.371 ( -7.568 3.746 -4.951) 9.789 13.460 ( -0.199 0.339 0.330) 0.513 13.609 ( 6.928 -0.233 -0.082) 6.932 13.688 ( 3.109 -0.048 3.265) 4.508 13.728 ( -2.536 -1.186 -5.873) 6.506 13.902 ( -2.931 14.795 -0.518) 15.091 13.982 ( -9.164 12.402 -10.645) 18.738 14.111 ( 5.371 1.252 7.072) 8.968 14.389 ( 5.366 15.993 -2.905) 17.117 14.430 ( 8.041 -16.484 -1.560) 18.407 14.527 ( 5.825 9.811 0.798) 11.438 14.765 ( -2.668 7.527 3.178) 8.595 14.782 ( -1.210 3.445 -1.073) 3.806 14.933 ( -2.976 -1.010 -3.748) 4.891 15.074 ( -9.381 -3.615 1.103) 10.114 15.112 ( -3.744 3.480 3.203) 6.033 15.311 ( -3.589 6.897 6.695) 10.261 15.441 ( -1.525 -1.239 4.760) 5.150 15.564 ( 3.234 1.753 3.320) 4.955 15.756 ( -4.468 -4.219 -7.884) 9.996 15.915 ( 6.652 -9.676 3.564) 12.271 15.924 ( 0.087 1.984 -0.017) 1.986 16.189 ( 4.259 11.640 -7.164) 14.316 16.278 ( 1.059 1.337 2.687) 3.182 16.411 ( 2.248 6.307 -4.175) 7.890 16.602 ( 6.840 4.250 -3.856) 8.928 16.726 ( 0.892 -1.970 -5.709) 6.105 16.871 ( 4.065 1.736 -10.305) 11.213 16.971 ( -1.908 5.667 6.086) 8.532 17.016 ( 2.540 -0.824 9.907) 10.261 17.131 ( 1.943 2.877 11.912) 12.408 17.279 ( -0.951 -3.802 2.738) 4.781 17.563 ( -4.133 -7.341 -1.321) 8.528 17.677 ( 4.379 -1.902 -0.580) 4.810 17.840 ( 2.489 1.359 -9.250) 9.675 18.109 ( -1.945 2.749 -3.309) 4.721 18.286 ( 5.191 6.821 3.558) 9.281 18.369 ( 0.300 0.529 -1.626) 1.737 18.455 ( -0.424 -7.348 6.790) 10.014 18.623 ( 0.481 0.709 5.497) 5.563 18.760 ( -9.521 -7.133 -3.094) 12.292 19.119 ( -1.591 12.244 1.883) 12.490 19.334 ( -0.465 1.228 -0.827) 1.552 19.484 ( 4.582 5.004 -0.116) 6.785 19.668 ( 2.200 -1.078 -0.620) 2.527 19.897 ( 0.566 -2.833 1.577) 3.292 20.226 ( -4.001 -1.610 -6.899) 8.136 20.372 ( -0.635 -3.532 -2.471) 4.357 20.606 ( 2.998 -4.658 7.149) 9.044 20.952 ( 1.954 2.190 -1.525) 3.308 21.330 ( 2.162 -1.592 6.832) 7.340 21.415 ( -7.050 5.676 -1.424) 9.162 21.542 ( 0.303 -1.745 1.288) 2.189 21.710 ( 1.597 -0.836 -6.386) 6.635 21.925 ( 6.875 5.567 2.707) 9.251 22.173 ( -2.233 0.100 -4.353) 4.893 22.598 ( -3.825 -12.562 -3.204) 13.517 23.240 ( -2.749 4.031 1.178) 5.019 23.466 ( -2.308 -3.465 4.212) 5.922 23.852 ( 1.395 -1.047 4.077) 4.434 23.875 ( -2.365 2.369 -3.665) 4.964 24.033 ( 3.686 3.025 -0.965) 4.865 24.122 ( 0.234 1.981 -5.658) 5.999 24.431 ( 1.053 0.546 -0.401) 1.253 24.483 ( 3.025 -3.474 0.411) 4.625 24.720 ( 1.659 -4.609 -1.040) 5.007 24.913 ( -2.761 9.764 4.669) 11.169 25.450 ( 5.985 3.642 -0.167) 7.008 25.800 ( -9.912 -10.371 1.169) 14.394 26.583 ( 3.751 2.431 -1.637) 4.760 26.852 ( -5.288 -6.139 0.886) 8.151 27.726 ( 4.138 -9.463 0.031) 10.328 28.247 ( -7.402 15.433 -0.489) 17.123 28.963 ( 3.391 -4.342 -0.286) 5.517 30.535 ( -0.740 -2.640 0.344) 2.763 ======================= Grid point 13 (9/68) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -3.695 3.442 2.034) 5.444 3.033 ( 1.284 -1.796 0.219) 2.219 3.718 ( -36.093 -10.108 -1.994) 37.535 4.052 ( -28.776 -6.803 -0.068) 29.569 4.112 ( -7.847 -1.302 -1.452) 8.086 5.128 ( 28.705 17.458 -4.907) 33.953 5.221 ( 22.821 23.366 2.291) 32.742 6.087 ( 1.254 -8.310 -2.068) 8.654 6.236 ( 7.648 -22.940 -8.534) 25.643 6.420 ( -1.198 -0.930 4.124) 4.394 6.649 ( -14.889 -11.833 3.040) 19.260 6.755 ( -10.864 -12.965 -8.332) 18.856 6.817 ( -7.823 -5.484 1.700) 9.704 6.961 ( 11.389 -10.263 -2.021) 15.463 7.144 ( 0.236 -1.641 0.139) 1.664 7.356 ( 1.127 -0.417 -5.387) 5.519 7.412 ( 0.197 7.309 -1.143) 7.400 7.632 ( -10.998 -4.343 6.250) 13.374 7.836 ( 3.862 13.338 8.652) 16.361 7.938 ( 7.891 12.838 8.079) 17.098 8.194 ( 1.061 11.077 -8.579) 14.051 8.238 ( 7.121 16.212 4.198) 18.198 8.366 ( -1.768 19.770 1.918) 19.942 8.682 ( 5.620 0.207 4.774) 7.377 8.754 ( 5.023 -1.272 6.429) 8.257 8.881 ( 6.995 -0.251 -5.826) 9.107 8.953 ( 14.352 16.802 -8.465) 23.663 9.019 ( -3.798 -7.601 2.736) 8.926 9.149 ( 0.408 5.483 -2.697) 6.124 9.278 ( 12.419 -10.651 -5.295) 17.196 9.499 ( 3.626 -5.347 5.515) 8.494 9.636 ( 3.804 1.842 6.371) 7.646 9.831 ( 6.728 -0.068 2.781) 7.280 10.037 ( 1.517 -17.695 -2.674) 17.960 10.087 ( 10.909 -2.791 6.333) 12.919 10.271 ( -0.832 -1.835 1.660) 2.611 10.369 ( -3.492 3.989 -5.439) 7.595 10.522 ( -2.066 5.133 -1.835) 5.829 10.693 ( 5.764 1.798 9.128) 10.944 10.819 ( -0.566 6.745 -4.463) 8.108 10.928 ( -0.134 -4.159 0.851) 4.247 11.040 ( -3.004 13.539 -1.319) 13.931 11.159 ( 3.575 -4.509 -1.928) 6.068 11.341 ( 1.975 3.352 1.317) 4.107 11.439 ( 1.946 -12.540 -2.559) 12.946 11.610 ( 6.235 -20.945 -2.000) 21.945 11.880 ( 6.988 -3.800 -2.078) 8.222 11.953 ( 0.227 -0.099 8.291) 8.294 12.172 ( -2.322 -0.172 -5.799) 6.250 12.203 ( 9.810 -3.100 -4.790) 11.349 12.385 ( -5.390 -12.145 6.661) 14.863 12.412 ( 1.845 -13.115 1.265) 13.305 12.571 ( -2.383 -2.683 -9.574) 10.224 12.840 ( -7.111 -5.944 7.938) 12.203 12.882 ( -3.892 4.548 -3.956) 7.175 12.988 ( 7.021 4.352 4.575) 9.443 13.180 ( -6.323 10.652 3.839) 12.969 13.361 ( -2.529 8.967 0.782) 9.349 13.488 ( 5.209 1.461 -3.021) 6.197 13.647 ( -5.850 -0.571 0.220) 5.882 13.669 ( 1.582 -7.464 -1.884) 7.859 13.702 ( 3.211 -0.333 -4.425) 5.478 13.871 ( -10.041 5.721 -10.710) 15.756 14.082 ( -5.336 22.887 -1.641) 23.558 14.172 ( 1.173 -2.817 3.209) 4.428 14.381 ( 4.817 -13.076 -0.505) 13.944 14.425 ( -5.927 -3.816 -9.843) 12.107 14.583 ( -11.966 0.885 3.613) 12.531 14.733 ( -12.156 7.819 4.101) 15.024 14.822 ( -3.721 8.897 3.841) 10.380 14.895 ( 9.611 2.665 -3.577) 10.596 14.995 ( -1.306 4.183 -4.759) 6.469 15.153 ( -1.429 3.595 10.714) 11.391 15.285 ( -0.808 -5.492 -3.599) 6.615 15.354 ( -7.664 4.239 11.152) 14.180 15.596 ( 4.154 2.459 0.705) 4.879 15.713 ( 2.255 -5.140 8.574) 10.248 15.889 ( 5.965 -9.884 3.512) 12.066 15.940 ( -3.004 2.086 -6.359) 7.336 16.223 ( -5.743 2.739 4.440) 7.759 16.353 ( -5.362 5.019 -3.742) 8.243 16.441 ( -0.005 -0.408 -11.577) 11.585 16.633 ( -6.185 -3.147 -3.837) 7.930 16.722 ( 0.577 6.271 -4.774) 7.902 16.799 ( -11.858 -8.779 5.467) 15.734 16.920 ( -4.256 -1.162 4.977) 6.651 17.004 ( 2.039 -0.393 -11.618) 11.802 17.185 ( 2.357 1.179 -1.180) 2.888 17.346 ( 3.810 2.011 5.700) 7.145 17.502 ( 4.361 -5.213 8.500) 10.883 17.702 ( -0.055 -5.566 6.045) 8.217 17.892 ( 2.898 6.670 -7.323) 10.321 18.079 ( -2.135 -5.230 0.052) 5.649 18.226 ( -11.167 -1.300 0.089) 11.242 18.372 ( -4.783 1.479 -5.204) 7.221 18.430 ( -1.119 -2.161 3.865) 4.568 18.587 ( 3.734 0.280 -0.631) 3.797 18.725 ( 9.315 0.821 5.018) 10.613 19.183 ( -4.720 8.764 -0.973) 10.002 19.372 ( 1.251 4.313 -2.745) 5.264 19.487 ( -7.692 -3.345 -4.006) 9.296 19.677 ( 0.581 -1.368 2.730) 3.108 19.888 ( 1.569 -1.907 0.914) 2.633 20.269 ( 5.594 6.711 3.306) 9.342 20.329 ( 2.419 -5.363 -1.114) 5.988 20.594 ( 1.059 -5.708 0.768) 5.856 20.974 ( -0.848 -0.165 -0.715) 1.121 21.322 ( -7.299 4.667 1.684) 8.825 21.384 ( 5.758 -3.360 8.360) 10.693 21.549 ( -1.443 3.634 -1.686) 4.258 21.717 ( 0.785 -2.420 -2.142) 3.325 21.944 ( -7.280 -2.232 -7.485) 10.677 22.167 ( 0.868 1.895 2.027) 2.907 22.581 ( 11.723 -3.523 -3.196) 12.651 23.284 ( 0.875 7.877 2.253) 8.239 23.418 ( 1.018 -3.571 1.928) 4.184 23.850 ( -2.559 0.004 1.531) 2.982 23.856 ( -0.118 0.174 0.673) 0.705 24.099 ( 1.609 0.655 -1.425) 2.247 24.115 ( -3.261 1.655 -5.415) 6.534 24.429 ( -0.733 -0.787 0.332) 1.126 24.462 ( 0.616 -5.531 -1.942) 5.894 24.678 ( -2.249 -3.243 0.337) 3.961 24.963 ( -2.274 7.392 3.005) 8.297 25.432 ( -6.448 -4.141 0.191) 7.666 25.807 ( 13.727 3.533 -1.059) 14.214 26.582 ( -4.029 -2.093 1.949) 4.941 26.854 ( 7.999 1.559 -0.867) 8.196 27.726 ( 6.120 -8.284 0.026) 10.299 28.250 ( -9.468 14.292 -0.491) 17.151 28.960 ( 1.862 -5.313 -0.411) 5.645 30.536 ( 2.703 -0.651 0.135) 2.784 ======================= Grid point 14 (10/68) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -28.416 -1.515 4.647) 28.833 2.818 ( -48.578 -9.890 -3.654) 49.709 3.091 ( 4.273 -0.550 4.636) 6.329 3.431 ( -17.348 -5.097 -3.417) 18.401 4.148 ( 1.987 0.668 0.138) 2.101 4.952 ( -66.762 -10.909 -0.798) 67.652 5.832 ( 21.574 7.903 1.643) 23.035 5.959 ( -11.406 -1.104 -23.607) 26.241 6.106 ( 7.823 -5.917 6.750) 11.907 6.369 ( 4.122 3.643 11.941) 13.147 6.535 ( 16.607 15.515 -6.705) 23.695 6.641 ( 1.130 1.719 -0.646) 2.156 6.804 ( 13.173 -17.977 -4.044) 22.651 7.085 ( 4.597 -2.322 1.615) 5.397 7.265 ( 18.140 -1.874 -2.499) 18.407 7.527 ( 6.581 3.695 -2.235) 7.871 7.565 ( 8.600 5.317 5.785) 11.649 7.695 ( 22.174 -6.711 -0.512) 23.173 7.890 ( 1.208 8.445 3.871) 9.368 8.167 ( 11.801 2.227 1.043) 12.054 8.367 ( 4.880 6.906 -0.678) 8.483 8.375 ( 3.020 3.377 4.389) 6.308 8.602 ( -0.919 15.533 -0.242) 15.562 8.751 ( 2.923 -7.456 4.059) 8.978 8.808 ( 4.840 -0.580 5.822) 7.593 8.951 ( 12.250 5.695 3.326) 13.913 8.985 ( 2.428 -0.985 -2.454) 3.591 9.192 ( 1.451 2.437 -1.007) 3.010 9.264 ( 5.540 -5.601 -2.891) 8.392 9.575 ( 10.275 9.711 -0.489) 14.147 9.674 ( 5.884 1.663 3.045) 6.831 9.776 ( 4.079 -11.650 -4.212) 13.042 9.960 ( 13.419 12.385 5.119) 18.965 10.021 ( 16.150 1.296 -2.145) 16.344 10.285 ( 6.116 -3.154 -4.108) 8.014 10.335 ( 5.684 5.448 6.008) 9.904 10.406 ( 10.075 4.101 0.035) 10.877 10.584 ( 4.903 0.246 0.242) 4.916 10.720 ( -0.411 -2.151 -5.443) 5.867 10.898 ( 0.715 -0.846 3.053) 3.248 10.924 ( 3.446 5.440 1.926) 6.722 11.077 ( -2.559 3.970 -6.315) 7.886 11.220 ( 4.825 -3.661 -2.036) 6.390 11.352 ( 5.103 2.785 -1.162) 5.929 11.454 ( 0.658 7.227 6.793) 9.940 11.520 ( 5.113 -20.889 -1.063) 21.532 11.818 ( -8.626 -7.218 0.907) 11.283 11.996 ( -6.010 2.101 0.895) 6.429 12.052 ( -3.767 6.239 -5.337) 9.033 12.220 ( -3.126 -7.500 3.791) 8.967 12.276 ( 4.244 -9.654 -2.959) 10.952 12.386 ( 5.288 -3.277 0.038) 6.221 12.489 ( -1.561 0.533 -0.270) 1.671 12.734 ( 3.331 -9.726 4.536) 11.237 12.895 ( 1.623 5.065 0.414) 5.335 13.040 ( -4.880 0.910 -2.121) 5.398 13.202 ( -5.337 7.289 4.910) 10.282 13.330 ( -6.479 4.645 -5.366) 9.610 13.463 ( -8.802 4.179 1.584) 9.872 13.545 ( -7.332 -1.505 2.005) 7.749 13.634 ( -1.531 -7.817 -1.507) 8.107 13.717 ( -8.593 4.842 -13.858) 17.010 13.833 ( 5.331 6.298 -2.867) 8.735 14.006 ( -14.369 -11.550 -6.866) 19.673 14.145 ( -0.211 -2.694 4.859) 5.560 14.226 ( -2.102 10.382 -2.582) 10.903 14.371 ( 3.798 -11.012 1.838) 11.793 14.526 ( 0.422 1.752 4.826) 5.151 14.644 ( -3.496 0.516 6.940) 7.788 14.751 ( -10.213 3.985 -1.917) 11.129 15.000 ( 1.444 1.326 -3.735) 4.218 15.029 ( -7.060 -1.789 15.589) 17.207 15.104 ( -1.223 -2.992 -4.614) 5.634 15.133 ( -5.982 8.707 -6.740) 12.531 15.364 ( -2.176 0.514 8.372) 8.665 15.694 ( 1.786 -4.452 0.131) 4.799 15.706 ( -1.267 2.721 9.517) 9.979 15.811 ( -5.476 -4.531 3.283) 7.828 15.969 ( -0.845 6.333 -3.345) 7.212 16.092 ( -3.603 -11.565 2.662) 12.402 16.259 ( -8.246 5.085 -1.394) 9.788 16.327 ( -7.194 1.454 -3.153) 7.988 16.445 ( -7.026 -2.463 -0.048) 7.446 16.601 ( -5.946 -5.531 -3.826) 8.977 16.790 ( -1.602 4.617 -7.906) 9.294 16.882 ( 2.698 -4.018 -7.121) 8.610 16.967 ( -3.664 0.888 -3.091) 4.875 17.152 ( -4.120 -3.064 -7.749) 9.296 17.453 ( -1.710 4.305 3.545) 5.833 17.489 ( -0.424 -4.348 4.144) 6.022 17.573 ( -3.214 -4.302 13.826) 14.832 17.955 ( -2.513 -6.874 -0.884) 7.372 17.999 ( -6.457 7.067 3.113) 10.066 18.077 ( -4.354 1.971 -4.705) 6.707 18.232 ( -3.344 -3.770 -7.570) 9.094 18.423 ( -0.033 1.228 9.364) 9.444 18.688 ( 0.571 1.110 -1.374) 1.856 18.939 ( 11.196 1.847 1.551) 11.453 19.177 ( -1.430 3.890 0.425) 4.166 19.263 ( -7.054 -4.171 -3.272) 8.824 19.460 ( 2.224 4.925 -3.244) 6.302 19.648 ( -0.612 -3.977 0.449) 4.049 19.903 ( 0.370 -0.100 0.942) 1.017 20.292 ( -2.369 -3.290 3.421) 5.304 20.418 ( 1.717 1.686 -3.363) 4.135 20.622 ( 8.012 1.221 2.670) 8.533 20.939 ( -0.003 -2.848 -0.383) 2.874 21.273 ( -2.891 3.383 1.948) 4.858 21.460 ( 4.029 0.227 10.079) 10.857 21.532 ( -4.785 2.369 0.714) 5.386 21.653 ( -4.313 -5.257 -0.356) 6.809 21.794 ( -4.726 -1.547 -9.459) 10.686 22.191 ( 0.485 1.044 -0.015) 1.151 22.850 ( 18.361 1.183 -2.622) 18.585 23.376 ( 0.898 3.251 2.764) 4.361 23.464 ( 6.377 2.774 0.170) 6.957 23.773 ( -4.275 -3.477 4.223) 6.942 23.857 ( -0.322 0.597 -0.450) 0.814 24.031 ( -5.472 -1.234 -4.288) 7.061 24.124 ( 0.074 0.679 -5.078) 5.123 24.391 ( -3.536 -3.550 -1.774) 5.315 24.418 ( -0.242 0.100 1.741) 1.760 24.578 ( -6.690 -0.315 2.121) 7.025 24.995 ( 1.520 1.557 0.422) 2.217 25.329 ( -2.506 -0.899 0.082) 2.664 26.110 ( 14.739 3.339 -1.645) 15.202 26.499 ( -2.580 -1.295 2.258) 3.665 27.063 ( 12.710 2.438 -0.227) 12.944 27.771 ( 6.928 -5.203 -0.006) 8.664 28.203 ( -9.038 8.398 -0.668) 12.355 28.929 ( -0.273 -3.153 -0.350) 3.184 30.604 ( 4.886 0.384 0.037) 4.902 ======================= Grid point 19 (11/68) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 5.055 2.828 3.270) 6.652 2.979 ( -3.123 -1.282 0.942) 3.505 3.598 ( 20.333 36.847 -1.020) 42.097 3.973 ( 24.047 35.451 -2.619) 42.917 4.143 ( 2.693 2.368 -0.104) 3.588 5.319 ( -14.348 -22.767 -7.022) 27.812 5.504 ( -23.799 -4.474 -2.101) 24.307 5.842 ( 7.776 -19.329 1.034) 20.860 6.163 ( -0.712 -10.323 -13.361) 16.899 6.368 ( -16.970 -1.790 -6.895) 18.404 6.447 ( 2.805 -3.353 2.879) 5.235 6.565 ( 18.765 20.867 8.576) 29.344 6.807 ( -13.022 -14.343 -4.512) 19.891 6.915 ( 21.912 22.097 3.633) 31.331 7.155 ( -5.483 -10.596 -0.097) 11.930 7.254 ( -6.115 -1.125 -5.619) 8.381 7.515 ( 2.748 2.641 -0.960) 3.930 7.640 ( 6.751 3.733 12.024) 14.286 7.932 ( -8.031 -2.288 2.010) 8.589 8.095 ( 8.331 7.199 -2.701) 11.337 8.304 ( -2.599 0.235 0.411) 2.642 8.456 ( 2.075 2.729 2.181) 4.063 8.607 ( -11.904 3.995 8.853) 15.364 8.640 ( -5.756 0.182 3.137) 6.557 8.771 ( -3.448 -10.437 8.514) 13.904 8.784 ( -5.060 -7.911 -10.280) 13.924 8.874 ( 9.896 -8.737 8.668) 15.793 9.149 ( -8.018 3.958 -1.872) 9.136 9.174 ( -3.161 -9.641 -2.789) 10.522 9.418 ( -1.395 -16.347 0.752) 16.424 9.456 ( -9.411 -14.453 -6.775) 18.530 9.592 ( -5.160 -3.542 3.599) 7.220 9.792 ( -2.265 -11.925 -1.004) 12.180 9.827 ( -9.007 -4.869 4.853) 11.331 10.058 ( 0.031 -12.913 -0.473) 12.921 10.340 ( 5.602 -3.726 3.566) 7.615 10.476 ( 1.357 -3.360 1.068) 3.778 10.534 ( 1.267 1.988 -2.458) 3.406 10.647 ( -7.519 5.348 -1.636) 9.371 10.853 ( -0.663 -2.970 0.736) 3.131 10.923 ( 3.601 0.958 3.343) 5.006 11.127 ( -1.703 -3.772 -3.375) 5.341 11.153 ( -9.987 -7.174 0.082) 12.296 11.254 ( -10.710 2.890 -2.191) 11.308 11.272 ( 5.683 3.242 -2.775) 7.107 11.546 ( 10.815 -10.000 3.615) 15.167 11.750 ( -3.375 -3.647 -6.351) 8.064 11.936 ( -16.024 -1.443 4.696) 16.760 12.110 ( -6.464 6.704 -2.604) 9.671 12.133 ( -0.594 -5.746 5.479) 7.962 12.262 ( 8.485 -12.227 0.350) 14.887 12.401 ( 13.471 10.308 -5.777) 17.919 12.613 ( 4.450 6.801 -4.578) 9.328 12.719 ( -0.296 7.290 7.457) 10.433 12.933 ( 0.224 1.398 1.181) 1.844 13.049 ( -1.067 -0.374 3.703) 3.872 13.330 ( 4.125 -4.847 -4.735) 7.933 13.389 ( -8.330 -0.654 -2.498) 8.721 13.531 ( 4.880 3.097 3.742) 6.886 13.570 ( -1.363 2.307 0.284) 2.695 13.625 ( 2.158 -1.099 1.484) 2.840 13.664 ( -6.748 -7.132 -10.225) 14.175 14.067 ( -0.946 0.653 -7.681) 7.767 14.108 ( 11.488 7.924 -1.584) 14.045 14.212 ( 0.541 -2.097 -4.877) 5.336 14.236 ( 1.211 18.875 2.981) 19.147 14.347 ( 0.918 9.257 2.010) 9.517 14.655 ( 8.258 10.449 -5.026) 14.235 14.848 ( -3.095 3.688 -7.114) 8.590 14.864 ( 5.834 10.576 5.805) 13.401 14.979 ( 0.009 -2.456 9.166) 9.489 15.032 ( -2.885 -1.711 -7.321) 8.053 15.183 ( -4.828 0.266 4.615) 6.684 15.254 ( 14.082 -4.161 2.065) 14.828 15.482 ( 5.801 2.790 7.926) 10.210 15.581 ( -6.627 3.005 4.907) 8.776 15.693 ( -0.936 -6.421 5.635) 8.594 15.760 ( 5.344 -3.890 5.564) 8.640 15.996 ( -2.348 -2.575 -4.369) 5.588 16.219 ( 2.068 10.159 -0.257) 10.370 16.336 ( -6.574 0.872 -3.873) 7.679 16.511 ( 3.522 6.398 -3.293) 8.012 16.546 ( 2.890 11.906 -5.506) 13.432 16.603 ( 4.925 4.717 -6.938) 9.728 16.814 ( 1.152 -3.467 -12.625) 13.142 16.932 ( 5.841 5.338 8.877) 11.892 17.053 ( 2.635 2.262 5.350) 6.378 17.168 ( -2.512 1.496 4.629) 5.475 17.358 ( -6.866 -1.435 -0.638) 7.044 17.473 ( 2.322 -8.146 0.431) 8.481 17.610 ( -1.128 -0.758 6.120) 6.269 17.928 ( -4.082 6.517 -5.363) 9.375 18.117 ( 9.875 -5.016 0.657) 11.096 18.174 ( -0.012 6.122 -2.520) 6.620 18.385 ( 3.871 4.203 2.516) 6.243 18.423 ( 1.262 3.879 4.760) 6.268 18.606 ( -2.776 -7.063 0.863) 7.638 18.763 ( -2.655 -10.050 0.350) 10.400 19.278 ( 2.599 8.024 1.707) 8.606 19.368 ( -1.244 7.342 -3.957) 8.433 19.472 ( 2.437 0.078 -2.792) 3.706 19.641 ( 0.150 2.904 1.686) 3.362 19.869 ( -1.581 -3.259 2.808) 4.584 20.228 ( -2.300 -2.321 -5.092) 6.050 20.445 ( -6.701 -9.000 2.386) 11.472 20.464 ( 3.260 -0.490 1.933) 3.822 20.976 ( 2.086 5.665 0.600) 6.067 21.282 ( -2.633 -2.637 3.129) 4.866 21.465 ( 5.755 -1.433 6.625) 8.892 21.609 ( -5.676 4.829 -2.114) 7.746 21.650 ( 3.371 -2.239 -1.930) 4.484 21.900 ( 4.219 9.821 -5.661) 12.095 22.197 ( 0.190 -0.138 -1.589) 1.606 22.546 ( -7.954 -15.526 -4.304) 17.968 23.335 ( -3.965 2.386 1.839) 4.980 23.429 ( 2.135 -6.302 3.994) 7.761 23.827 ( 0.881 1.719 6.595) 6.872 23.900 ( 3.304 1.930 -4.045) 5.568 24.047 ( -3.274 1.860 -2.358) 4.443 24.138 ( 0.969 2.428 -7.372) 7.822 24.415 ( 1.247 0.946 -1.975) 2.520 24.431 ( 0.795 -0.327 0.646) 1.075 24.655 ( 1.244 -0.857 1.285) 1.983 25.025 ( 1.031 6.148 4.020) 7.417 25.391 ( 3.477 3.757 0.005) 5.119 25.846 ( -8.606 -14.313 0.078) 16.702 26.557 ( 2.535 4.200 0.087) 4.907 26.871 ( -5.249 -8.924 0.097) 10.354 27.641 ( -2.582 -4.431 -0.036) 5.129 28.426 ( 5.463 9.958 -0.685) 11.379 28.878 ( -1.874 -3.804 -0.446) 4.264 30.527 ( -1.892 -3.198 0.340) 3.732 ======================= Grid point 20 (12/68) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -3.809 5.121 1.625) 6.586 2.965 ( 2.923 -4.057 1.280) 5.161 3.961 ( -0.326 1.245 0.622) 1.430 4.338 ( -10.647 18.810 -5.293) 22.253 4.679 ( -25.712 8.168 -0.785) 26.990 4.817 ( 14.123 -1.278 -5.932) 15.372 5.093 ( 7.912 15.283 0.877) 17.232 5.664 ( 10.871 -38.382 -0.279) 39.893 6.087 ( 0.894 -8.742 -5.398) 10.313 6.317 ( 7.990 1.195 -6.152) 10.155 6.487 ( -1.020 -14.753 -5.369) 15.733 6.525 ( 8.181 -1.754 -13.737) 16.085 6.776 ( -0.669 -1.712 17.236) 17.333 7.025 ( -1.302 3.897 0.889) 4.203 7.176 ( 1.909 -5.684 -4.144) 7.289 7.573 ( -2.703 5.899 0.336) 6.497 7.688 ( -18.121 0.230 10.586) 20.988 7.746 ( 14.651 16.433 5.885) 22.789 7.903 ( -0.740 16.241 5.887) 17.291 8.006 ( -21.519 4.577 0.758) 22.013 8.321 ( -3.443 2.661 -6.010) 7.420 8.436 ( -2.017 11.463 -4.020) 12.314 8.548 ( 0.751 8.120 -7.185) 10.868 8.597 ( 1.974 -0.284 8.563) 8.793 8.699 ( -0.647 -4.158 11.916) 12.637 8.729 ( 6.732 3.188 0.400) 7.460 8.899 ( 0.354 -5.886 -1.106) 5.999 8.965 ( 3.478 -6.049 2.055) 7.274 8.980 ( -1.296 -6.531 -6.109) 9.036 9.286 ( -6.892 -4.878 -3.367) 9.091 9.319 ( 9.277 -6.918 -1.810) 11.713 9.562 ( 3.140 -0.127 7.469) 8.103 9.721 ( 7.922 -14.769 1.718) 16.847 9.777 ( 1.968 4.112 0.541) 4.591 9.910 ( 1.084 -11.209 1.204) 11.325 10.357 ( -5.473 1.945 4.197) 7.166 10.425 ( 3.653 -2.814 3.085) 5.548 10.588 ( -4.037 3.681 2.280) 5.920 10.682 ( 3.777 7.481 -2.529) 8.754 10.824 ( -1.059 -10.333 2.044) 10.586 10.894 ( -3.081 4.435 -5.148) 7.461 11.046 ( 6.844 -2.259 1.821) 7.434 11.065 ( 1.550 -7.055 -2.793) 7.745 11.257 ( 3.478 1.335 -3.033) 4.804 11.388 ( 3.537 2.546 -4.385) 6.183 11.466 ( -2.693 -10.096 4.856) 11.522 11.713 ( -3.016 -2.850 -1.035) 4.277 11.927 ( 11.688 4.797 1.474) 12.720 11.995 ( -1.049 -5.911 0.451) 6.020 12.098 ( -0.111 -1.155 1.191) 1.663 12.227 ( 2.574 -11.785 0.973) 12.102 12.622 ( -11.468 5.595 -0.116) 12.761 12.692 ( -5.846 4.061 -0.355) 7.127 12.767 ( 12.247 3.872 -0.403) 12.851 12.989 ( -0.391 3.318 2.038) 3.914 13.040 ( -10.325 4.309 1.241) 11.256 13.207 ( 8.225 -6.367 -3.799) 11.073 13.396 ( 4.843 -13.012 -0.816) 13.908 13.440 ( -1.720 3.376 4.764) 6.087 13.543 ( -1.232 3.771 -0.916) 4.071 13.644 ( -0.474 2.211 -4.603) 5.129 13.711 ( 0.279 -1.522 -10.487) 10.601 14.021 ( 2.486 -2.550 0.134) 3.564 14.131 ( 3.015 -7.067 -3.482) 8.435 14.272 ( -11.879 15.167 0.113) 19.265 14.409 ( -1.018 15.733 -5.911) 16.838 14.592 ( -6.254 -4.370 -11.648) 13.924 14.707 ( 6.291 5.140 6.008) 10.104 14.778 ( -2.600 -3.415 -1.144) 4.442 14.939 ( -2.103 3.730 -6.402) 7.702 14.951 ( -2.745 3.855 2.933) 5.568 15.097 ( 4.876 -4.401 5.458) 8.540 15.115 ( -1.525 10.329 3.115) 10.895 15.373 ( -8.334 3.533 3.193) 9.599 15.534 ( -4.573 7.803 8.655) 12.519 15.565 ( 3.707 0.013 9.973) 10.639 15.608 ( -0.025 -5.807 -2.001) 6.142 15.751 ( -7.021 -6.981 6.217) 11.691 15.912 ( 11.732 -5.964 -2.226) 13.348 16.272 ( 1.448 -0.204 8.699) 8.821 16.337 ( 1.270 1.837 -10.557) 10.790 16.585 ( -2.251 3.774 -11.170) 12.004 16.639 ( -6.239 9.030 -7.300) 13.182 16.725 ( 3.034 -2.182 -11.804) 12.382 16.866 ( 3.223 -4.185 -1.003) 5.376 17.022 ( -2.507 0.325 6.114) 6.616 17.053 ( -7.101 0.680 14.850) 16.474 17.090 ( 4.640 1.182 7.076) 8.544 17.333 ( -2.026 4.105 -2.799) 5.366 17.428 ( 3.050 -1.665 -2.994) 4.587 17.545 ( 4.681 -10.236 3.324) 11.736 17.982 ( -1.067 11.739 -2.946) 12.150 18.120 ( -7.566 -3.718 0.777) 8.466 18.275 ( 8.737 -6.216 0.916) 10.762 18.355 ( -1.607 -0.325 6.292) 6.502 18.463 ( -2.133 5.284 -0.003) 5.698 18.577 ( 4.194 -4.221 2.831) 6.590 18.654 ( -4.085 -0.799 -6.813) 7.984 19.366 ( -5.650 6.478 -1.278) 8.690 19.395 ( 1.137 5.805 -1.313) 6.060 19.514 ( 1.138 -2.697 -1.892) 3.485 19.684 ( -1.284 3.332 4.191) 5.506 19.817 ( 2.701 -4.866 3.162) 6.401 20.237 ( 3.741 0.212 -2.919) 4.750 20.270 ( -2.809 -3.165 1.568) 4.513 20.493 ( 2.562 -4.244 0.322) 4.968 21.052 ( -3.338 6.228 1.483) 7.220 21.229 ( 4.389 -6.673 4.759) 9.297 21.496 ( -5.218 2.504 2.415) 6.271 21.584 ( 1.400 4.341 -0.327) 4.573 21.660 ( 1.343 -4.141 -4.405) 6.193 22.069 ( -3.569 7.897 -4.452) 9.743 22.177 ( -0.858 0.796 -1.797) 2.144 22.347 ( 6.024 -11.415 -4.439) 13.649 23.333 ( 0.171 4.171 2.738) 4.992 23.390 ( -0.775 -3.357 4.057) 5.323 23.842 ( 0.224 -0.222 6.523) 6.530 23.937 ( -3.165 3.710 -4.312) 6.510 24.039 ( 3.117 -2.650 -2.901) 5.015 24.164 ( -0.613 1.291 -7.131) 7.273 24.431 ( -0.623 -0.309 -0.255) 0.740 24.434 ( 0.125 -0.035 -0.374) 0.396 24.644 ( 1.299 -2.645 0.659) 3.020 25.094 ( -2.825 6.373 4.148) 8.112 25.495 ( -1.666 0.483 0.112) 1.738 25.623 ( 4.117 -5.576 0.174) 6.933 26.635 ( -1.592 2.585 0.134) 3.039 26.746 ( 2.460 -4.098 -0.031) 4.780 27.596 ( 1.952 -3.365 -0.022) 3.891 28.543 ( -7.432 13.130 -0.611) 15.100 28.824 ( 4.984 -8.913 -0.564) 10.228 30.492 ( 0.761 -1.291 0.368) 1.543 ======================= Grid point 73 (13/68) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.000 56.293) 56.293 1.103 ( 0.000 -0.000 56.293) 56.293 1.918 ( -0.000 0.000 97.376) 97.376 3.382 ( 0.000 0.000 0.455) 0.455 3.382 ( -0.000 -0.000 0.455) 0.455 4.803 ( 0.000 0.000 1.031) 1.031 5.226 ( 0.000 0.000 -40.260) 40.260 5.226 ( 0.000 -0.000 -40.260) 40.260 6.539 ( 0.000 0.000 22.656) 22.656 6.539 ( 0.000 -0.000 22.656) 22.656 6.755 ( 0.000 0.000 -2.813) 2.813 7.439 ( 0.000 -0.000 -5.890) 5.890 7.439 ( -0.000 -0.000 -5.890) 5.890 7.713 ( 0.000 0.000 -13.020) 13.020 7.743 ( 0.000 0.000 9.104) 9.104 7.743 ( 0.000 0.000 9.104) 9.104 8.183 ( 0.000 -0.000 7.815) 7.815 8.453 ( -0.000 0.000 -13.182) 13.182 8.471 ( 0.000 0.000 2.970) 2.970 8.471 ( 0.000 0.000 2.970) 2.970 8.744 ( 0.000 0.000 0.716) 0.716 8.744 ( 0.000 -0.000 0.716) 0.716 8.992 ( 0.000 0.000 1.106) 1.106 8.992 ( 0.000 -0.000 1.106) 1.106 9.122 ( 0.000 0.000 6.208) 6.208 9.122 ( 0.000 -0.000 6.208) 6.208 9.201 ( -0.000 -0.000 -8.662) 8.662 9.225 ( 0.000 0.000 -4.961) 4.961 9.591 ( 0.000 0.000 -7.292) 7.292 9.591 ( -0.000 -0.000 -7.292) 7.292 9.601 ( 0.000 -0.000 -4.434) 4.434 10.037 ( 0.000 -0.000 -21.316) 21.316 10.041 ( 0.000 0.000 7.185) 7.185 10.041 ( 0.000 -0.000 7.185) 7.185 10.429 ( 0.000 0.000 -9.157) 9.157 10.429 ( 0.000 -0.000 -9.157) 9.157 10.804 ( 0.000 0.000 -4.378) 4.378 10.894 ( 0.000 0.000 -8.246) 8.246 10.894 ( 0.000 -0.000 -8.246) 8.246 10.919 ( -0.000 0.000 -6.314) 6.314 11.146 ( -0.000 0.000 -3.010) 3.010 11.146 ( -0.000 -0.000 -3.010) 3.010 11.289 ( 0.000 0.000 3.713) 3.713 11.289 ( 0.000 -0.000 3.713) 3.713 11.487 ( 0.000 0.000 25.963) 25.963 11.578 ( 0.000 0.000 -3.428) 3.428 11.578 ( 0.000 -0.000 -3.428) 3.428 11.751 ( 0.000 0.000 4.571) 4.571 12.026 ( -0.000 0.000 -1.007) 1.007 12.026 ( 0.000 -0.000 -1.007) 1.007 12.193 ( 0.000 0.000 1.314) 1.314 12.275 ( 0.000 0.000 -2.120) 2.120 12.275 ( 0.000 -0.000 -2.120) 2.120 12.771 ( 0.000 0.000 0.432) 0.432 12.880 ( 0.000 0.000 0.075) 0.075 12.880 ( -0.000 -0.000 0.075) 0.075 13.020 ( 0.000 0.000 0.974) 0.974 13.319 ( -0.000 0.000 5.197) 5.197 13.319 ( -0.000 -0.000 5.197) 5.197 13.527 ( 0.000 -0.000 -10.384) 10.384 13.740 ( 0.000 0.000 14.485) 14.485 13.740 ( 0.000 0.000 14.485) 14.485 13.940 ( 0.000 -0.000 12.923) 12.923 14.030 ( 0.000 0.000 3.165) 3.165 14.030 ( 0.000 0.000 3.165) 3.165 14.075 ( 0.000 0.000 -5.150) 5.150 14.282 ( 0.000 0.000 -2.342) 2.342 14.282 ( 0.000 -0.000 -2.342) 2.342 14.304 ( 0.000 -0.000 2.934) 2.934 14.850 ( 0.000 0.000 12.203) 12.203 15.011 ( 0.000 0.000 9.087) 9.087 15.036 ( 0.000 0.000 -7.642) 7.642 15.036 ( 0.000 -0.000 -7.642) 7.642 15.229 ( 0.000 0.000 -5.265) 5.265 15.229 ( -0.000 -0.000 -5.265) 5.265 15.337 ( 0.000 0.000 6.522) 6.522 15.548 ( 0.000 0.000 2.546) 2.546 15.548 ( 0.000 -0.000 2.546) 2.546 15.679 ( 0.000 0.000 -0.234) 0.234 15.679 ( 0.000 -0.000 -0.234) 0.234 15.926 ( 0.000 0.000 -10.959) 10.959 16.326 ( 0.000 0.000 1.842) 1.842 16.326 ( 0.000 -0.000 1.842) 1.842 16.481 ( 0.000 0.000 4.799) 4.799 16.481 ( 0.000 -0.000 4.799) 4.799 16.722 ( -0.000 0.000 -1.460) 1.460 16.924 ( -0.000 0.000 0.301) 0.301 16.924 ( 0.000 -0.000 0.301) 0.301 17.154 ( 0.000 0.000 -21.529) 21.529 17.582 ( 0.000 0.000 2.038) 2.038 17.767 ( 0.000 0.000 -9.066) 9.066 17.767 ( 0.000 -0.000 -9.066) 9.066 17.786 ( -0.000 0.000 6.417) 6.417 17.991 ( 0.000 0.000 -1.328) 1.328 17.991 ( 0.000 -0.000 -1.328) 1.328 18.450 ( 0.000 0.000 -0.480) 0.480 18.450 ( 0.000 -0.000 -0.480) 0.480 19.167 ( 0.000 0.000 -3.498) 3.498 19.243 ( 0.000 0.000 1.967) 1.967 19.473 ( 0.000 0.000 -4.134) 4.134 19.569 ( 0.000 0.000 -1.644) 1.644 19.569 ( 0.000 -0.000 -1.644) 1.644 19.889 ( 0.000 0.000 5.306) 5.306 19.889 ( 0.000 -0.000 5.306) 5.306 20.387 ( 0.000 0.000 11.848) 11.848 21.126 ( 0.000 0.000 0.820) 0.820 21.126 ( -0.000 0.000 0.820) 0.820 21.136 ( -0.000 0.000 -4.242) 4.242 21.313 ( 0.000 0.000 0.307) 0.307 21.328 ( 0.000 0.000 -0.686) 0.686 21.328 ( 0.000 -0.000 -0.686) 0.686 22.279 ( 0.000 0.000 3.071) 3.071 22.279 ( 0.000 -0.000 3.071) 3.071 23.002 ( 0.000 -0.000 2.137) 2.137 23.497 ( 0.000 0.000 3.908) 3.908 23.700 ( 0.000 0.000 -1.259) 1.259 23.700 ( 0.000 -0.000 -1.259) 1.259 23.926 ( 0.000 0.000 -3.277) 3.277 23.926 ( 0.000 -0.000 -3.277) 3.277 23.942 ( 0.000 -0.000 -4.806) 4.806 24.079 ( 0.000 0.000 2.452) 2.452 24.079 ( 0.000 -0.000 2.452) 2.452 24.436 ( -0.000 0.000 4.183) 4.183 25.226 ( -0.000 0.000 1.247) 1.247 26.147 ( 0.000 0.000 -4.712) 4.712 26.512 ( 0.000 -0.000 2.177) 2.177 27.450 ( 0.000 0.000 -9.069) 9.069 27.852 ( -0.000 0.000 6.812) 6.812 27.990 ( 0.000 0.000 -0.248) 0.248 27.990 ( 0.000 -0.000 -0.248) 0.248 28.838 ( 0.000 0.000 -0.268) 0.268 28.838 ( -0.000 -0.000 -0.268) 0.268 ======================= Grid point 74 (14/68) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 26.058 27.201 37.574) 53.205 1.618 ( 32.149 17.399 43.365) 56.716 2.588 ( 52.847 24.066 63.502) 86.049 3.351 ( 0.021 -4.365 0.336) 4.378 3.463 ( 2.502 6.166 -4.520) 8.044 4.545 ( -13.176 -8.239 14.589) 21.315 5.221 ( 5.843 -0.584 -36.957) 37.420 5.415 ( 8.873 10.405 -39.220) 41.536 6.452 ( -3.545 -4.067 23.163) 23.783 6.616 ( 4.071 -0.887 12.902) 13.558 6.839 ( 4.617 -0.134 2.409) 5.209 7.147 ( -18.232 -10.972 -2.896) 21.475 7.337 ( -12.950 -4.731 -2.161) 13.955 7.454 ( -8.141 -9.081 -0.918) 12.231 7.748 ( -10.820 6.728 7.064) 14.568 7.876 ( 4.185 -1.157 3.531) 5.597 8.112 ( -15.455 -2.555 -6.173) 16.837 8.151 ( -0.819 1.100 2.726) 3.051 8.211 ( -13.549 -17.127 1.492) 21.889 8.387 ( -14.325 -14.164 -8.081) 21.705 8.663 ( 0.966 -1.837 -2.912) 3.576 8.761 ( -15.240 -8.030 -1.679) 17.308 8.840 ( -12.330 -4.680 1.442) 13.267 8.849 ( -10.836 -2.349 3.128) 11.521 9.085 ( -9.903 -0.221 -2.853) 10.308 9.131 ( -3.770 -1.095 0.216) 3.931 9.178 ( -4.005 -5.428 0.445) 6.761 9.271 ( 1.830 2.773 -0.474) 3.356 9.385 ( 10.221 0.418 -2.718) 10.584 9.540 ( -6.934 -0.223 1.020) 7.013 9.758 ( 0.167 0.883 1.800) 2.012 9.906 ( -4.361 10.637 -5.114) 12.582 10.082 ( 7.990 -4.099 -4.181) 9.906 10.304 ( 3.645 -4.063 -13.160) 14.247 10.333 ( 2.912 -9.208 -2.531) 9.983 10.424 ( -9.050 5.348 -2.647) 10.840 10.649 ( -15.527 1.661 -0.532) 15.624 10.711 ( 0.622 -12.986 -1.507) 13.088 10.789 ( 0.429 4.347 -2.779) 5.177 10.881 ( -1.381 -9.124 -13.264) 16.158 11.104 ( -6.026 -2.551 1.796) 6.785 11.206 ( -2.842 0.728 6.522) 7.151 11.256 ( -0.295 4.513 -0.304) 4.533 11.306 ( 1.006 2.025 -3.763) 4.390 11.452 ( 4.502 1.335 4.887) 6.777 11.638 ( -0.660 4.387 1.972) 4.855 11.751 ( 5.656 -7.860 5.239) 11.010 11.915 ( 10.207 -3.573 10.988) 15.417 11.946 ( 2.265 4.623 1.147) 5.274 12.056 ( 7.104 7.143 2.400) 10.356 12.113 ( 0.313 5.570 0.489) 5.600 12.331 ( 3.888 1.717 -5.828) 7.214 12.483 ( 3.544 -3.691 -8.728) 10.117 12.686 ( -6.029 5.064 3.057) 8.446 12.851 ( -18.162 -1.566 2.414) 18.388 12.921 ( 2.939 10.051 -5.172) 11.680 13.042 ( 12.931 1.615 7.118) 14.849 13.289 ( 5.131 -3.447 -7.985) 10.098 13.342 ( 4.260 -5.105 4.299) 7.918 13.513 ( -3.131 -2.364 4.321) 5.837 13.609 ( -5.013 5.153 13.149) 14.986 13.790 ( 2.823 -10.986 7.557) 13.630 13.893 ( 2.321 -10.706 -1.722) 11.089 14.035 ( -2.706 -0.987 2.304) 3.689 14.140 ( -3.457 -4.950 4.688) 7.644 14.241 ( 1.228 1.856 -1.706) 2.804 14.259 ( 11.206 14.458 0.466) 18.298 14.315 ( -2.285 20.376 -0.260) 20.506 14.514 ( 8.919 0.820 2.986) 9.441 14.677 ( -8.821 -1.386 10.976) 14.150 14.840 ( -7.311 -0.602 -2.525) 7.758 15.010 ( -8.914 -0.125 -4.924) 10.184 15.038 ( 1.445 3.477 -5.565) 6.719 15.191 ( 7.813 -2.646 -2.536) 8.630 15.275 ( 7.804 -6.890 -1.197) 10.479 15.371 ( 0.332 0.847 -0.663) 1.126 15.532 ( -1.980 2.665 5.059) 6.051 15.645 ( 10.412 1.306 1.904) 10.665 15.785 ( 5.156 6.629 4.634) 9.591 15.825 ( -0.712 17.615 -4.646) 18.232 16.150 ( 19.204 -5.809 -4.951) 20.665 16.251 ( -5.654 -3.898 3.283) 7.611 16.302 ( -0.071 -4.984 4.122) 6.468 16.554 ( 9.412 3.982 -2.080) 10.429 16.645 ( 9.532 2.032 -0.932) 9.790 16.696 ( -2.933 -4.912 -4.438) 7.241 16.949 ( 5.049 5.854 0.354) 7.739 17.067 ( 8.263 5.320 0.917) 9.870 17.196 ( 3.819 3.102 -15.366) 16.134 17.419 ( -6.325 -1.893 3.966) 7.701 17.599 ( -6.206 -3.838 4.453) 8.548 17.742 ( -3.335 3.646 -3.056) 5.810 17.919 ( 2.949 1.799 -1.384) 3.722 17.992 ( 3.456 1.450 -1.025) 3.886 18.141 ( 10.165 -1.698 1.887) 10.477 18.424 ( -4.589 6.497 0.452) 7.967 18.448 ( 4.631 3.085 -4.831) 7.369 19.124 ( -3.374 -2.036 -2.057) 4.446 19.307 ( -0.798 0.945 -2.032) 2.379 19.344 ( -5.258 -7.340 0.504) 9.043 19.560 ( 1.628 -0.572 -1.815) 2.505 19.581 ( -2.008 -0.895 -0.212) 2.208 19.911 ( 2.038 3.138 6.260) 7.293 20.026 ( 8.920 4.561 5.132) 11.257 20.401 ( -1.691 -4.370 -5.599) 7.301 20.930 ( -8.449 -3.525 2.404) 9.465 21.084 ( -2.042 -4.732 0.384) 5.169 21.134 ( -2.449 5.062 0.173) 5.626 21.308 ( 3.910 0.501 -0.799) 4.022 21.373 ( 3.402 1.505 -1.448) 3.992 21.522 ( 3.849 6.895 -0.934) 7.952 22.103 ( -7.374 -3.348 17.993) 19.732 22.265 ( -0.041 -3.257 3.667) 4.905 23.126 ( 2.876 1.993 -11.862) 12.368 23.419 ( -7.827 -11.342 -4.357) 14.453 23.610 ( -3.512 3.521 5.414) 7.352 23.734 ( -0.781 6.361 -3.579) 7.341 23.870 ( -5.722 2.128 -2.247) 6.506 23.919 ( 6.915 -1.828 0.608) 7.178 24.053 ( 7.050 -8.546 -1.295) 11.154 24.121 ( 7.958 -0.917 -1.708) 8.191 24.248 ( 4.591 11.772 -1.745) 12.755 24.478 ( 2.493 3.391 4.545) 6.194 25.233 ( 0.482 0.773 1.709) 1.937 25.806 ( -29.183 -17.246 24.699) 41.942 26.307 ( -7.321 -4.039 -5.445) 9.978 26.730 ( -12.021 -6.696 15.619) 20.816 27.537 ( -10.536 -5.714 6.343) 13.561 27.978 ( -3.178 3.664 -0.363) 4.864 27.990 ( 2.924 -5.528 -0.122) 6.254 28.864 ( 2.089 1.125 -0.296) 2.391 30.059 ( 32.612 19.325 -43.356) 57.592 ======================= Grid point 75 (15/68) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 26.356 26.864 19.110) 42.208 2.419 ( 37.455 20.413 25.968) 49.939 3.182 ( -1.901 -0.425 4.993) 5.360 3.363 ( 6.991 0.702 5.148) 8.710 4.196 ( 46.074 25.915 20.659) 56.755 4.358 ( 11.570 4.161 17.870) 21.692 5.409 ( 15.307 1.172 -30.414) 34.069 5.679 ( 8.060 7.140 -32.789) 34.512 6.292 ( -8.059 -12.828 15.647) 21.779 6.435 ( -27.069 -16.873 3.957) 32.142 6.693 ( 4.211 -1.470 6.650) 8.007 6.972 ( -11.623 -9.904 3.749) 15.724 7.108 ( 7.254 2.230 3.574) 8.388 7.276 ( -17.802 6.043 -0.360) 18.803 7.461 ( -16.008 -3.676 -3.649) 16.825 7.656 ( -15.825 -19.359 -0.132) 25.004 7.814 ( -20.236 7.226 -0.495) 21.494 7.881 ( -11.363 -8.815 -3.752) 14.863 8.014 ( -7.337 -15.980 -2.060) 17.704 8.151 ( -2.008 -11.898 2.222) 12.269 8.370 ( -20.105 2.228 -0.326) 20.230 8.565 ( -9.056 -4.391 9.135) 13.592 8.607 ( -4.853 -1.444 -2.549) 5.668 8.766 ( -3.281 1.180 -10.594) 11.153 8.869 ( -7.172 -0.725 -5.263) 8.925 8.996 ( -3.344 -6.753 2.680) 7.998 9.045 ( -6.259 -1.213 3.031) 7.060 9.298 ( -9.817 -5.124 8.619) 14.032 9.397 ( 1.139 0.557 0.450) 1.345 9.511 ( 3.919 0.807 -5.094) 6.477 9.687 ( -7.087 -15.826 2.188) 17.478 9.912 ( -10.651 8.561 -4.397) 14.355 10.066 ( -5.230 2.871 -4.027) 7.198 10.205 ( -1.615 0.319 -1.577) 2.280 10.346 ( 3.482 -2.579 -5.931) 7.345 10.391 ( -0.943 2.708 0.746) 2.963 10.503 ( -4.787 -1.369 -2.044) 5.382 10.588 ( -8.221 -7.830 4.000) 12.038 10.753 ( -0.631 -7.049 -7.404) 10.243 10.932 ( -3.278 4.958 3.731) 7.017 10.949 ( 4.330 -6.368 0.272) 7.705 11.064 ( -8.288 -15.003 2.419) 17.310 11.286 ( -6.315 3.454 -1.826) 7.426 11.429 ( -5.490 4.257 -3.386) 7.728 11.498 ( -3.908 -8.860 7.129) 12.025 11.574 ( 10.294 2.925 -0.263) 10.704 11.674 ( 6.907 11.889 -3.394) 14.162 11.965 ( -2.881 -6.463 -3.411) 7.856 12.127 ( 10.835 -2.353 9.208) 14.412 12.159 ( 6.393 0.964 2.453) 6.915 12.267 ( -11.040 1.025 2.369) 11.338 12.393 ( 6.867 10.462 -0.124) 12.515 12.476 ( 10.211 -0.096 -13.890) 17.240 12.669 ( -3.324 13.270 3.059) 14.018 12.776 ( 4.083 -5.731 0.347) 7.045 13.030 ( -0.621 9.923 -5.823) 11.522 13.192 ( 0.444 -4.353 -1.989) 4.806 13.288 ( 0.789 -0.932 -5.275) 5.415 13.384 ( -0.028 -6.337 6.875) 9.350 13.518 ( -2.653 6.763 5.339) 9.015 13.643 ( 2.481 -13.035 -3.021) 13.608 13.735 ( 12.272 3.471 11.702) 17.308 13.832 ( 4.188 -5.564 0.968) 7.031 13.987 ( 1.955 8.298 8.380) 11.955 14.065 ( -3.580 -3.889 0.727) 5.336 14.282 ( 6.014 -1.482 -0.660) 6.229 14.351 ( -8.034 -5.234 1.292) 9.675 14.424 ( -2.753 4.830 -0.482) 5.580 14.598 ( 7.587 4.574 2.220) 9.133 14.755 ( -3.378 12.733 -8.817) 15.852 14.846 ( 6.310 -3.615 3.998) 8.299 14.929 ( -1.687 8.256 1.136) 8.503 15.150 ( 1.308 1.581 -5.538) 5.906 15.269 ( 3.450 5.394 -3.104) 7.116 15.315 ( -4.013 8.236 4.371) 10.151 15.528 ( 12.422 4.478 2.200) 13.387 15.537 ( 4.626 0.903 -2.013) 5.125 15.803 ( -3.994 0.724 -1.042) 4.191 15.841 ( 12.577 -4.478 1.382) 13.422 16.028 ( 5.199 11.311 -3.569) 12.950 16.110 ( -3.214 -5.212 3.242) 6.929 16.280 ( 2.739 -1.783 3.177) 4.558 16.398 ( 6.858 -3.868 4.821) 9.232 16.544 ( 2.854 -2.794 -0.621) 4.042 16.771 ( 7.376 6.746 -8.578) 13.172 16.839 ( 9.410 -0.972 -4.908) 10.657 17.069 ( 4.194 -0.599 -1.420) 4.469 17.186 ( 3.262 -3.803 3.465) 6.092 17.369 ( 5.729 7.349 3.725) 10.035 17.404 ( 4.157 -1.437 4.857) 6.552 17.639 ( 1.255 18.612 -2.344) 18.801 17.709 ( -2.025 2.611 -8.934) 9.526 17.917 ( 0.195 -3.523 -3.015) 4.641 18.059 ( 2.405 -4.210 2.677) 5.538 18.289 ( 9.276 1.678 2.918) 9.868 18.442 ( -3.225 11.259 2.313) 11.938 18.639 ( 8.313 4.993 -2.449) 10.002 19.027 ( -6.463 -2.399 -3.777) 7.861 19.168 ( -3.153 -6.661 2.918) 7.926 19.283 ( -2.344 0.367 0.536) 2.433 19.511 ( -2.728 -3.685 1.000) 4.693 19.594 ( 2.658 -0.455 -2.181) 3.468 19.967 ( 0.420 2.052 3.914) 4.439 20.206 ( 3.377 2.585 4.002) 5.840 20.270 ( -1.688 -6.063 -10.949) 12.629 20.825 ( -3.647 0.566 6.291) 7.293 20.998 ( -0.289 -6.137 1.404) 6.302 21.159 ( -2.888 8.656 -3.496) 9.772 21.387 ( 5.127 -1.551 -0.749) 5.409 21.430 ( -0.593 3.281 -5.064) 6.063 21.626 ( 2.880 4.998 0.969) 5.849 22.025 ( 0.165 -1.726 17.284) 17.370 22.218 ( -1.262 -3.489 3.747) 5.273 23.066 ( -12.562 -5.542 -5.880) 14.936 23.171 ( -0.710 -7.779 -9.176) 12.051 23.572 ( -7.247 2.280 -1.010) 7.665 23.777 ( -1.794 8.037 -0.744) 8.268 23.837 ( 0.684 0.257 -1.082) 1.306 24.054 ( 9.563 -2.306 5.391) 11.218 24.066 ( 5.086 -7.860 0.602) 9.381 24.246 ( 6.805 0.770 -1.671) 7.050 24.402 ( 2.628 5.265 -1.775) 6.146 24.572 ( 2.249 7.388 3.495) 8.477 25.210 ( -8.153 -3.548 9.156) 12.763 25.355 ( -4.619 -3.576 6.439) 8.694 26.218 ( -3.440 -1.862 -6.922) 7.951 26.557 ( -6.283 -3.670 9.046) 11.609 27.253 ( -13.389 -7.440 1.670) 15.408 27.956 ( -4.005 4.660 -0.276) 6.151 27.982 ( 3.121 -6.477 -0.474) 7.206 28.923 ( 2.929 1.631 -0.484) 3.387 30.419 ( 5.170 3.299 -22.044) 22.881 ======================= Grid point 76 (16/68) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 1.210 6.616 2.086) 7.042 3.014 ( 4.438 2.362 0.356) 5.040 3.414 ( 33.851 18.953 18.519) 42.989 3.783 ( 30.327 18.155 13.757) 37.929 4.198 ( -3.954 -1.828 7.043) 8.282 5.338 ( -5.552 -8.861 6.951) 12.556 5.587 ( -19.383 -20.363 0.238) 28.114 5.734 ( 11.334 8.830 -8.687) 16.789 5.899 ( 30.855 11.604 -16.310) 36.779 6.331 ( 17.634 2.662 4.779) 18.463 6.682 ( 0.846 -6.368 2.283) 6.818 6.815 ( -14.012 11.615 1.270) 18.244 6.969 ( -8.700 -4.639 -4.426) 10.808 7.209 ( 0.434 -3.080 3.592) 4.751 7.281 ( -6.548 -2.752 -4.013) 8.158 7.333 ( -2.324 -12.514 -2.451) 12.962 7.485 ( -13.994 0.157 -3.738) 14.485 7.585 ( -9.089 -0.202 -1.034) 9.150 7.833 ( -5.150 -6.750 0.468) 8.503 7.981 ( -1.870 -14.034 1.415) 14.229 8.040 ( -20.382 11.370 10.038) 25.406 8.383 ( -9.956 -13.594 5.005) 17.578 8.441 ( -11.801 -0.900 2.596) 12.117 8.613 ( -5.307 1.128 -10.778) 12.067 8.818 ( -6.806 1.149 -2.331) 7.285 8.939 ( -2.357 -4.452 -0.389) 5.053 9.107 ( 1.070 3.294 6.542) 7.402 9.148 ( 8.426 -3.582 -1.569) 9.289 9.179 ( -13.337 -15.633 8.128) 22.098 9.481 ( -6.032 2.228 -6.249) 8.967 9.567 ( 0.320 0.521 -2.207) 2.290 9.739 ( -16.416 -5.405 5.005) 17.993 9.889 ( -10.240 2.498 -2.378) 10.805 10.165 ( -9.958 -11.268 3.687) 15.483 10.231 ( -7.531 2.348 -1.604) 8.050 10.309 ( -0.913 5.441 6.245) 8.333 10.484 ( -0.663 0.608 -6.680) 6.741 10.542 ( 4.945 1.509 6.286) 8.139 10.617 ( -5.448 -6.896 4.702) 9.967 10.739 ( 2.352 -5.457 0.430) 5.958 10.896 ( -3.306 -2.307 -5.489) 6.810 11.062 ( -13.000 -3.786 -0.433) 13.547 11.149 ( 5.406 4.896 -0.255) 7.298 11.382 ( -2.393 -3.328 2.518) 4.811 11.543 ( 5.025 10.557 -5.254) 12.818 11.651 ( 2.093 -4.146 0.426) 4.664 11.863 ( -0.348 0.154 -4.054) 4.071 12.065 ( 15.607 -0.161 1.652) 15.695 12.140 ( -3.402 -0.973 -1.554) 3.865 12.268 ( 8.366 -5.815 -5.704) 11.676 12.270 ( 12.046 -0.290 2.427) 12.291 12.548 ( -0.310 9.430 1.693) 9.585 12.630 ( -3.758 9.733 -1.591) 10.554 12.701 ( 1.046 0.307 -6.396) 6.488 12.841 ( 5.950 4.987 -2.886) 8.282 12.997 ( -4.027 -2.082 0.493) 4.561 13.123 ( -12.682 -1.945 4.708) 13.666 13.300 ( 3.634 6.083 -4.702) 8.504 13.415 ( 6.218 -3.220 -2.018) 7.288 13.522 ( -0.268 -4.046 -5.103) 6.518 13.576 ( 5.007 -4.238 3.969) 7.667 13.800 ( 6.217 -13.089 1.939) 14.619 13.903 ( -5.514 -0.480 4.389) 7.064 14.000 ( -2.713 13.897 0.947) 14.191 14.041 ( -8.519 -6.945 1.157) 11.052 14.279 ( 14.361 -0.744 11.292) 18.284 14.438 ( 10.371 -0.336 -1.966) 10.561 14.587 ( 11.108 5.578 -4.064) 13.077 14.694 ( -0.244 3.892 -2.703) 4.745 14.782 ( 4.387 -12.181 -4.522) 13.714 14.834 ( -6.044 14.918 -6.394) 17.319 14.936 ( -8.790 -0.318 -1.734) 8.966 15.091 ( 0.295 -6.360 -2.284) 6.764 15.251 ( -11.461 9.527 9.098) 17.462 15.425 ( 0.950 10.863 8.029) 13.541 15.642 ( 1.564 2.950 -4.052) 5.250 15.739 ( -1.578 -2.779 4.458) 5.486 15.776 ( 9.135 5.175 -9.539) 14.185 16.028 ( -2.490 -0.545 -2.200) 3.367 16.069 ( 16.140 -4.202 2.496) 16.864 16.247 ( 5.965 6.510 -3.452) 9.480 16.289 ( 3.341 6.752 3.505) 8.309 16.424 ( 5.767 -8.474 2.671) 10.592 16.696 ( 8.249 -1.714 0.875) 8.470 16.854 ( -0.307 4.731 -8.425) 9.668 16.962 ( -5.402 -5.099 4.795) 8.841 17.107 ( 9.861 3.895 2.906) 10.994 17.264 ( 7.136 2.143 3.964) 8.440 17.405 ( -2.768 -2.636 7.814) 8.698 17.498 ( 2.140 6.691 -6.103) 9.305 17.665 ( -11.720 5.722 -3.346) 13.464 17.794 ( 11.511 -3.084 -0.746) 11.940 17.965 ( -0.601 -5.978 -3.790) 7.104 18.068 ( 7.166 6.903 -3.998) 10.724 18.442 ( 3.311 3.390 5.485) 7.248 18.548 ( 0.934 12.950 3.049) 13.337 18.705 ( -2.677 -2.527 3.407) 5.016 18.811 ( -14.036 -4.469 -3.203) 15.075 19.111 ( 2.329 -3.519 4.181) 5.941 19.355 ( 6.468 0.227 -2.228) 6.844 19.444 ( 0.657 -0.937 3.477) 3.661 19.626 ( 1.103 0.109 -3.177) 3.365 19.959 ( -1.996 0.085 0.065) 1.998 20.144 ( -0.339 -4.471 -4.879) 6.627 20.301 ( -0.294 2.192 -0.820) 2.359 20.787 ( -2.232 1.437 6.662) 7.172 20.987 ( 5.139 -5.212 1.811) 7.540 21.190 ( -4.330 9.485 -3.397) 10.966 21.407 ( -4.255 3.893 -4.238) 7.157 21.460 ( 4.889 -2.604 -1.021) 5.632 21.733 ( 5.276 1.468 1.397) 5.652 22.029 ( 0.250 -2.356 7.384) 7.754 22.176 ( 0.830 -1.265 6.889) 7.053 22.771 ( -10.033 -8.282 -1.524) 13.098 23.135 ( 0.313 -1.861 -8.718) 8.920 23.438 ( -8.742 1.302 -5.759) 10.549 23.817 ( -0.865 3.918 -2.105) 4.531 23.871 ( 2.057 0.618 2.888) 3.600 24.079 ( 2.815 -2.860 1.539) 4.298 24.159 ( 6.355 -5.923 8.431) 12.106 24.384 ( 5.853 2.456 -2.288) 6.748 24.466 ( 1.947 3.117 -1.015) 3.813 24.690 ( 1.913 7.199 -0.658) 7.478 24.973 ( -9.025 -6.074 4.697) 11.849 25.415 ( 5.607 4.095 4.364) 8.201 26.052 ( -11.816 -6.944 2.799) 13.988 26.487 ( 1.472 1.023 -0.869) 1.993 26.978 ( -10.096 -5.748 -0.737) 11.641 27.937 ( -2.784 3.420 -0.196) 4.414 27.972 ( 2.176 -4.662 -0.848) 5.214 28.984 ( 2.137 1.076 -0.765) 2.511 30.457 ( -0.439 -0.010 -11.853) 11.861 ======================= Grid point 77 (17/68) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -0.388 1.533 0.649) 1.710 3.032 ( -1.547 0.351 -0.825) 1.788 3.980 ( -8.418 -4.389 6.705) 11.623 4.149 ( 12.028 3.321 13.269) 18.214 4.405 ( -5.745 -5.671 12.016) 14.475 4.867 ( 7.896 3.496 6.645) 10.897 5.084 ( -1.464 -1.693 8.500) 8.790 6.044 ( 8.269 -0.855 -11.714) 14.364 6.228 ( -1.155 2.460 -15.462) 15.699 6.487 ( -2.346 -15.026 -11.149) 18.857 6.749 ( -10.297 -1.872 -8.610) 13.552 6.850 ( 2.914 7.964 -4.491) 9.596 6.943 ( 3.114 -3.014 9.227) 10.194 7.129 ( -8.424 0.546 -4.000) 9.341 7.254 ( 23.053 -5.772 0.556) 23.771 7.296 ( 6.661 -2.572 9.155) 11.610 7.484 ( -1.308 10.379 -1.611) 10.584 7.513 ( -22.928 -12.862 0.600) 26.296 7.639 ( 0.976 18.317 -0.563) 18.352 7.921 ( 2.628 2.063 0.934) 3.469 7.951 ( -1.606 7.258 8.967) 11.648 8.176 ( 16.561 0.027 6.056) 17.634 8.222 ( -6.129 -7.507 10.300) 14.142 8.553 ( -7.897 6.538 -9.858) 14.223 8.631 ( -4.940 -7.420 -2.701) 9.315 8.838 ( -2.821 1.059 0.632) 3.079 8.991 ( 1.622 4.312 -0.096) 4.608 9.048 ( -4.571 -8.202 1.757) 9.553 9.286 ( -0.702 0.439 17.570) 17.590 9.343 ( 4.545 -4.118 -5.831) 8.463 9.611 ( 3.857 9.352 -4.773) 11.186 9.631 ( -1.939 3.783 6.782) 8.004 9.889 ( -0.612 3.683 -0.439) 3.760 10.013 ( -0.689 6.474 1.807) 6.757 10.220 ( -2.170 2.059 -3.070) 4.286 10.286 ( -1.485 -7.743 -1.046) 7.954 10.404 ( 1.198 -3.716 -1.508) 4.185 10.459 ( -1.342 -2.363 0.709) 2.808 10.716 ( -7.076 5.151 1.835) 8.943 10.781 ( 4.844 0.960 3.039) 5.798 10.831 ( 4.517 1.725 5.957) 7.673 10.905 ( -0.231 -2.962 -2.985) 4.211 11.218 ( -1.081 2.118 -0.379) 2.408 11.335 ( -2.171 2.343 2.286) 3.928 11.607 ( 1.610 -9.015 -4.617) 10.256 11.722 ( 4.264 5.301 -5.464) 8.726 11.911 ( 3.461 0.902 0.298) 3.590 12.064 ( -1.871 -2.612 -3.991) 5.123 12.164 ( 4.917 -6.880 4.018) 9.363 12.357 ( 7.727 -4.636 -5.033) 10.321 12.369 ( -7.579 -0.655 8.049) 11.075 12.629 ( -2.199 4.640 -2.162) 5.571 12.671 ( 6.078 4.328 -14.301) 16.131 12.753 ( -0.211 -0.535 -0.312) 0.655 12.874 ( -5.544 -1.305 3.454) 6.661 12.953 ( 2.386 -4.622 0.836) 5.268 12.975 ( -5.990 10.528 -6.704) 13.844 13.326 ( -3.574 -1.119 2.534) 4.522 13.369 ( -1.421 0.493 -3.186) 3.523 13.534 ( -0.838 5.355 -3.288) 6.340 13.622 ( 5.713 -9.142 -5.564) 12.131 13.751 ( -4.124 -3.407 1.811) 5.647 13.848 ( -2.578 -1.222 3.605) 4.597 13.893 ( 6.273 -11.188 3.812) 13.381 14.144 ( 3.849 5.816 4.453) 8.275 14.361 ( -3.489 -2.021 -4.331) 5.917 14.556 ( 3.587 -0.352 -3.580) 5.080 14.649 ( -11.346 6.111 -0.460) 12.895 14.704 ( 1.800 -13.052 -5.313) 14.207 14.763 ( -7.457 7.641 -5.173) 11.864 14.832 ( 10.299 -5.755 0.982) 11.838 14.948 ( 2.913 1.337 9.491) 10.017 15.054 ( 5.347 8.681 -4.514) 11.150 15.214 ( -2.430 5.974 7.136) 9.618 15.484 ( -4.111 4.212 4.074) 7.158 15.656 ( -0.027 -2.786 5.215) 5.913 15.729 ( 2.368 1.952 -2.068) 3.701 15.963 ( 5.460 5.862 -6.358) 10.227 16.026 ( 0.970 5.225 -4.693) 7.090 16.153 ( -1.170 -1.920 8.719) 9.004 16.269 ( -7.538 -10.135 -1.307) 12.698 16.397 ( 8.058 -3.945 0.037) 8.972 16.509 ( 7.043 2.189 -10.752) 13.039 16.757 ( -10.710 -3.934 2.997) 11.796 16.817 ( 8.227 -4.050 -0.048) 9.170 16.860 ( -2.764 2.196 -0.512) 3.567 17.111 ( -9.835 -2.895 2.452) 10.542 17.298 ( -6.629 -3.484 6.520) 9.929 17.413 ( -2.944 2.568 7.728) 8.659 17.575 ( 0.610 6.795 -3.162) 7.519 17.628 ( 3.826 8.312 -5.157) 10.503 17.899 ( 9.096 -5.178 3.003) 10.889 18.015 ( 8.604 -0.012 -10.400) 13.498 18.204 ( 2.212 0.144 -0.136) 2.221 18.374 ( -12.765 -7.765 3.594) 15.367 18.563 ( -5.753 0.347 -0.388) 5.776 18.596 ( -3.157 2.658 4.872) 6.385 18.736 ( 4.894 6.548 1.238) 8.268 19.107 ( -1.076 -1.768 4.460) 4.916 19.355 ( -0.404 -2.042 2.170) 3.007 19.450 ( -3.438 -4.481 -5.177) 7.662 19.701 ( 3.378 4.230 -0.476) 5.434 19.923 ( -1.421 -0.532 -0.359) 1.559 20.184 ( 6.676 2.720 1.158) 7.302 20.314 ( 1.790 -0.380 -4.294) 4.668 20.756 ( -3.635 1.487 6.507) 7.600 21.016 ( 2.570 -4.737 1.612) 5.625 21.200 ( -3.298 6.761 -2.587) 7.955 21.383 ( -1.635 2.409 -4.191) 5.103 21.525 ( 3.396 1.156 0.092) 3.588 21.817 ( 2.535 -0.800 4.662) 5.366 21.934 ( -4.413 -5.227 0.495) 6.859 22.234 ( 3.985 -0.102 7.186) 8.217 22.628 ( 1.882 -3.064 -0.107) 3.597 23.148 ( 1.125 2.368 -4.397) 5.119 23.333 ( -4.130 1.070 -10.230) 11.084 23.831 ( -1.542 3.207 -3.388) 4.914 23.903 ( 1.923 -1.251 5.058) 5.554 24.086 ( -0.255 -2.802 2.897) 4.038 24.179 ( 2.776 -3.296 5.711) 7.154 24.438 ( 0.562 0.213 -0.147) 0.619 24.549 ( 1.586 1.363 -0.387) 2.127 24.710 ( -1.435 -5.998 -3.867) 7.280 24.852 ( -3.404 6.422 2.242) 7.607 25.551 ( 0.913 0.522 6.135) 6.225 25.800 ( -3.313 -1.865 3.905) 5.451 26.588 ( 4.982 3.252 -2.066) 6.298 26.815 ( -2.770 -1.720 -1.645) 3.652 27.931 ( -1.309 2.530 -0.114) 2.851 27.965 ( 1.495 -2.936 -1.069) 3.464 29.008 ( 0.070 -0.396 -0.968) 1.048 30.446 ( -0.334 0.091 -9.151) 9.158 ======================= Grid point 79 (18/68) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -4.215 -0.820 6.085) 7.448 2.943 ( -9.042 -4.173 -1.768) 10.114 3.419 ( -30.185 -15.583 15.343) 37.274 3.759 ( -24.856 -19.695 10.837) 33.513 4.242 ( 1.614 0.643 9.807) 9.960 5.314 ( 0.458 -4.278 0.610) 4.346 5.496 ( 12.311 8.311 2.745) 15.106 5.951 ( -21.524 -11.797 4.510) 24.955 6.054 ( -2.867 -3.456 -19.443) 19.954 6.259 ( 7.457 0.122 -7.638) 10.675 6.548 ( -8.097 -7.397 11.311) 15.755 6.773 ( 1.168 -2.830 2.013) 3.664 6.974 ( 10.161 -0.019 -2.113) 10.378 6.989 ( 2.706 -3.869 -0.225) 4.727 7.202 ( 0.587 11.054 -8.015) 13.666 7.466 ( 13.386 -3.782 -4.807) 14.717 7.584 ( 13.498 5.919 1.696) 14.836 7.780 ( -1.125 11.542 2.338) 11.830 7.847 ( 15.388 4.501 8.825) 18.301 7.919 ( -1.058 14.195 -4.899) 15.054 8.121 ( -1.923 0.827 3.629) 4.189 8.206 ( 12.984 10.860 5.549) 17.813 8.460 ( 7.367 3.540 -3.114) 8.746 8.674 ( 5.027 10.708 -4.368) 12.610 8.843 ( 5.300 5.778 -1.539) 7.990 8.919 ( 0.972 -3.422 1.550) 3.880 8.933 ( 14.117 14.223 2.364) 20.178 9.129 ( 9.332 4.467 -6.995) 12.489 9.272 ( 2.994 -2.837 13.076) 13.711 9.484 ( 7.832 3.970 4.522) 9.877 9.617 ( 0.582 0.163 0.535) 0.807 9.725 ( -0.416 8.289 -2.953) 8.809 9.959 ( 6.153 5.127 -2.372) 8.353 10.018 ( -4.272 -10.028 -4.225) 11.690 10.198 ( 0.669 6.764 -4.907) 8.383 10.323 ( 7.636 -4.204 1.022) 8.776 10.464 ( 0.155 4.185 -4.193) 5.926 10.494 ( 9.842 1.920 4.350) 10.931 10.615 ( -0.117 -2.297 -0.191) 2.308 10.841 ( -2.255 4.524 -1.605) 5.304 10.930 ( 5.667 5.972 5.685) 10.005 11.057 ( 12.081 4.281 11.073) 16.938 11.181 ( -1.296 -3.100 2.186) 4.009 11.369 ( 1.290 7.099 3.725) 8.121 11.529 ( -0.267 -9.803 -4.114) 10.635 11.777 ( 1.945 -2.522 -6.957) 7.651 11.910 ( -6.209 0.048 -4.308) 7.557 12.052 ( -4.117 -2.156 0.415) 4.666 12.132 ( 1.031 -8.041 9.684) 12.629 12.225 ( 0.749 -2.521 0.575) 2.692 12.396 ( 1.101 -5.525 -1.571) 5.849 12.543 ( -5.974 -10.951 -4.485) 13.256 12.665 ( -2.827 -1.884 -1.676) 3.788 12.717 ( -6.324 9.585 -0.317) 11.488 12.793 ( -9.498 9.102 -1.137) 13.204 12.920 ( -2.407 0.237 0.169) 2.424 13.017 ( 4.912 1.188 -13.553) 14.464 13.251 ( -6.051 -9.400 0.339) 11.185 13.400 ( -0.022 -2.014 -11.160) 11.340 13.562 ( 7.234 0.442 -1.908) 7.495 13.594 ( -0.209 -4.737 -4.597) 6.604 13.695 ( -10.724 -0.331 8.763) 13.853 13.803 ( 5.685 11.579 -2.091) 13.068 13.890 ( 1.228 -14.099 3.138) 14.496 14.083 ( -11.334 -0.938 7.376) 13.555 14.256 ( 0.105 2.756 1.061) 2.955 14.566 ( -6.517 1.306 3.441) 7.484 14.587 ( -2.219 0.619 0.614) 2.384 14.665 ( -2.406 -0.723 -5.701) 6.230 14.720 ( 5.296 3.296 -4.301) 7.576 14.934 ( 7.098 -6.613 5.192) 11.003 14.991 ( 4.914 -1.010 -0.025) 5.017 15.169 ( -6.480 1.141 4.655) 8.060 15.264 ( -3.099 3.659 -1.948) 5.176 15.453 ( -0.258 -3.916 8.576) 9.431 15.605 ( -1.320 4.130 -5.270) 6.824 15.807 ( -0.147 3.009 -2.632) 4.000 15.958 ( -10.073 -5.331 -0.873) 11.430 16.020 ( -4.084 -2.092 -0.450) 4.610 16.054 ( -8.337 -0.345 14.192) 16.463 16.171 ( 7.324 3.138 -6.370) 10.201 16.437 ( -0.806 -4.055 1.688) 4.465 16.547 ( -1.373 -1.760 -10.305) 10.544 16.621 ( 3.701 -5.678 1.434) 6.927 16.808 ( -2.990 2.476 1.365) 4.116 16.842 ( -0.882 -11.557 -1.502) 11.688 16.883 ( -8.478 -2.539 -1.394) 8.959 17.100 ( -6.908 -7.890 7.205) 12.723 17.327 ( -8.889 5.721 -0.921) 10.611 17.655 ( 3.074 3.648 -8.298) 9.572 17.713 ( -5.636 0.491 4.001) 6.929 17.965 ( -10.673 0.012 3.420) 11.208 18.030 ( -3.035 -6.854 -6.017) 9.612 18.117 ( 2.110 -4.306 -9.158) 10.338 18.229 ( 7.145 -8.383 10.026) 14.895 18.533 ( -3.184 1.950 3.328) 5.001 18.571 ( -5.865 6.431 0.632) 8.727 18.871 ( 4.239 3.901 -4.192) 7.125 19.087 ( -0.333 4.249 2.710) 5.051 19.309 ( 1.778 -4.795 -0.226) 5.119 19.384 ( -0.117 -0.938 0.405) 1.029 19.725 ( -2.123 -0.086 1.493) 2.597 19.923 ( 0.917 1.736 -0.409) 2.006 20.269 ( 0.969 -2.285 -5.982) 6.477 20.421 ( 5.913 1.431 1.520) 6.270 20.707 ( -1.741 3.181 8.782) 9.501 20.983 ( -1.740 -1.425 1.330) 2.613 21.230 ( 1.412 1.957 -2.736) 3.648 21.386 ( -0.646 1.126 -2.692) 2.988 21.575 ( -2.462 3.800 -2.231) 5.048 21.692 ( -7.140 -5.432 -3.450) 9.612 21.931 ( 3.915 -1.271 16.015) 16.536 22.263 ( 0.996 -1.660 4.923) 5.290 22.780 ( 14.643 1.705 -2.373) 14.932 23.206 ( -0.947 6.660 -3.911) 7.781 23.337 ( 4.314 0.832 -10.579) 11.455 23.827 ( -3.044 3.802 -3.926) 6.255 23.917 ( 2.243 -2.869 4.766) 5.998 23.994 ( -6.038 -3.166 3.383) 7.611 24.180 ( -0.171 -3.923 3.794) 5.460 24.446 ( 0.082 -0.879 1.671) 1.890 24.486 ( -2.183 -7.704 -1.748) 8.196 24.651 ( -2.587 0.157 1.765) 3.136 24.895 ( 0.297 7.442 0.509) 7.465 25.421 ( -5.265 -3.880 4.320) 7.838 25.965 ( 10.529 6.173 -0.532) 12.217 26.620 ( -0.724 -0.352 5.067) 5.130 26.935 ( 11.360 6.804 -3.188) 13.620 27.942 ( -0.980 3.461 -0.028) 3.598 27.965 ( 2.122 -3.281 -1.095) 4.058 28.979 ( -1.959 -1.733 -0.928) 2.775 30.449 ( -0.094 0.298 -12.047) 12.051 ======================= Grid point 80 (19/68) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -35.429 -13.397 23.655) 44.657 2.413 ( -34.173 -20.354 22.027) 45.467 3.170 ( 1.709 3.565 2.288) 4.568 3.407 ( -4.212 -6.760 5.915) 9.920 4.184 ( -49.774 -28.788 21.452) 61.371 4.362 ( -7.053 -5.813 18.020) 20.206 5.340 ( -5.526 -9.265 -29.699) 31.598 5.773 ( -16.048 -5.724 -35.077) 38.996 6.313 ( 14.618 -0.652 14.340) 20.488 6.554 ( 13.507 3.912 14.493) 20.194 6.751 ( 19.748 16.832 0.024) 25.948 6.838 ( 7.430 -0.111 10.300) 12.700 7.009 ( 6.315 3.322 -0.693) 7.169 7.264 ( 9.863 8.220 0.192) 12.841 7.379 ( 11.222 5.326 -4.376) 13.170 7.620 ( 11.222 0.686 -3.847) 11.883 7.828 ( -2.101 11.563 -10.166) 15.539 7.913 ( 12.167 1.423 6.813) 14.017 8.073 ( 11.884 10.592 6.213) 17.088 8.174 ( 7.851 11.556 -6.101) 15.244 8.307 ( 20.299 3.894 -3.647) 20.988 8.573 ( 14.088 11.614 0.676) 18.271 8.637 ( 7.293 3.633 -1.014) 8.211 8.851 ( 1.449 7.472 5.369) 9.314 8.926 ( 3.798 4.412 -1.003) 5.907 9.009 ( 6.456 6.938 -1.827) 9.652 9.132 ( 4.390 2.189 7.000) 8.548 9.261 ( 1.981 6.776 2.458) 7.475 9.364 ( 5.094 -6.636 1.199) 8.451 9.512 ( -3.395 7.654 0.610) 8.395 9.669 ( -4.427 -0.270 -4.776) 6.518 9.791 ( -1.747 -5.731 -4.739) 7.639 10.033 ( 11.766 3.787 -9.282) 15.458 10.102 ( 5.064 9.197 -5.390) 11.802 10.306 ( 4.047 6.058 -19.639) 20.947 10.367 ( 5.663 -3.576 4.194) 7.902 10.544 ( 5.380 6.506 0.915) 8.492 10.586 ( -0.091 -8.534 2.509) 8.896 10.738 ( 13.170 0.866 3.214) 13.584 10.921 ( 3.843 4.393 1.277) 5.975 11.048 ( -1.832 6.608 7.900) 10.461 11.173 ( 4.211 0.626 -4.555) 6.235 11.320 ( 5.196 -2.454 13.494) 14.667 11.406 ( 1.330 -3.108 2.202) 4.034 11.547 ( 3.133 5.253 4.013) 7.315 11.686 ( -5.873 -1.564 2.419) 6.542 11.781 ( 3.129 -5.580 -3.558) 7.321 11.851 ( -10.291 -5.756 -0.028) 11.792 12.149 ( 1.421 -13.264 -2.281) 13.534 12.173 ( -1.259 2.729 2.225) 3.739 12.271 ( -5.296 -3.552 -5.762) 8.594 12.403 ( -7.002 -0.734 2.762) 7.563 12.545 ( -6.475 -1.927 2.852) 7.333 12.712 ( -13.153 1.777 -6.574) 14.812 12.741 ( -5.121 8.830 -3.351) 10.743 12.959 ( 7.679 4.242 -8.219) 12.021 13.024 ( -0.902 -7.784 1.025) 7.903 13.103 ( 1.084 -0.663 -7.868) 7.970 13.360 ( 2.709 -2.927 0.569) 4.028 13.450 ( -4.535 -1.096 -1.351) 4.858 13.517 ( -7.245 -2.306 9.847) 12.440 13.730 ( 3.643 -13.913 8.760) 16.840 13.772 ( 6.556 -0.860 -5.801) 8.796 13.968 ( -3.276 4.066 8.430) 9.916 14.102 ( 12.225 9.866 -0.547) 15.719 14.336 ( -2.113 12.261 1.705) 12.559 14.434 ( -9.293 1.740 5.648) 11.013 14.526 ( -3.425 -3.549 -1.492) 5.153 14.658 ( -1.708 1.967 -2.397) 3.540 14.772 ( 1.334 -5.123 -5.381) 7.549 14.921 ( -14.723 -2.590 3.491) 15.351 15.031 ( 5.905 0.974 -3.906) 7.147 15.062 ( 0.858 -0.428 4.731) 4.827 15.173 ( -4.237 -2.426 -6.656) 8.254 15.244 ( -7.677 -12.994 11.665) 19.074 15.645 ( -4.989 8.798 -3.303) 10.639 15.700 ( -14.965 -5.836 -0.499) 16.070 15.742 ( -8.701 -2.456 5.215) 10.437 15.920 ( -3.703 -4.503 6.605) 8.810 15.956 ( -4.356 4.666 -3.515) 7.287 16.319 ( 3.227 -3.210 3.080) 5.496 16.384 ( 4.565 -7.096 -1.019) 8.499 16.509 ( -3.538 3.197 -3.485) 5.906 16.552 ( -3.900 -5.125 1.635) 6.645 16.674 ( -2.312 -13.061 0.316) 13.268 16.780 ( 2.679 -10.628 0.085) 10.961 16.869 ( -0.141 0.204 -1.771) 1.788 16.953 ( 1.218 0.625 -2.776) 3.095 17.252 ( -7.571 7.762 -8.989) 14.084 17.470 ( -10.382 -6.227 6.840) 13.905 17.692 ( -2.629 -5.029 -10.374) 11.824 17.804 ( -9.916 1.913 0.621) 10.118 17.879 ( -3.827 0.143 -0.959) 3.948 18.090 ( -2.042 -1.436 0.268) 2.511 18.246 ( 3.221 -11.728 4.516) 12.974 18.444 ( -8.218 5.686 -1.162) 10.061 18.531 ( -5.457 2.571 0.006) 6.032 18.980 ( 5.118 3.242 -5.395) 8.112 19.187 ( 4.565 5.894 1.491) 7.603 19.360 ( 7.320 -5.659 0.867) 9.293 19.412 ( 2.328 3.583 0.141) 4.275 19.671 ( -2.379 -1.788 0.413) 3.004 19.960 ( 0.346 1.344 3.420) 3.691 20.203 ( -7.238 -3.482 -5.703) 9.850 20.410 ( 0.998 -4.071 2.618) 4.942 20.826 ( 5.381 6.074 6.338) 10.297 20.972 ( 2.002 1.431 0.562) 2.524 21.263 ( 1.594 -1.308 -2.100) 2.943 21.351 ( -6.922 0.145 -3.196) 7.625 21.444 ( -5.981 -2.166 -5.009) 8.096 21.630 ( -3.363 2.353 0.311) 4.116 21.986 ( 3.850 0.091 20.764) 21.118 22.259 ( 1.282 -2.216 4.074) 4.812 23.100 ( 18.531 2.162 -4.463) 19.183 23.223 ( -2.492 3.575 -10.928) 11.765 23.480 ( 6.459 6.018 -2.204) 9.099 23.780 ( -8.210 3.868 -2.514) 9.418 23.861 ( -2.362 -4.007 1.438) 4.868 23.933 ( 2.369 -2.810 3.055) 4.779 24.102 ( -2.368 -4.700 2.030) 5.641 24.319 ( -4.198 -10.530 -4.135) 12.067 24.437 ( -3.630 -0.868 0.051) 3.732 24.578 ( -6.999 1.358 5.143) 8.791 25.068 ( 10.010 8.521 7.911) 15.343 25.380 ( 3.877 1.223 6.306) 7.503 26.166 ( 6.526 3.898 -6.481) 9.989 26.635 ( 2.286 1.297 9.360) 9.722 27.244 ( 14.054 8.476 1.303) 16.464 27.962 ( -2.956 7.217 -0.187) 7.801 27.973 ( 4.802 -7.138 -0.704) 8.632 28.917 ( -2.693 -1.984 -0.694) 3.416 30.408 ( -5.380 -2.708 -22.190) 22.993 ======================= Grid point 81 (20/68) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -34.916 -9.490 38.960) 53.171 1.627 ( -31.804 -18.676 42.528) 56.293 2.595 ( -48.739 -34.183 63.518) 87.055 3.337 ( 4.656 -1.656 -0.912) 5.025 3.474 ( -6.764 0.844 -4.034) 7.921 4.544 ( 13.442 7.381 14.802) 21.314 5.207 ( -1.076 -4.449 -37.270) 37.550 5.443 ( -15.395 -3.989 -39.719) 42.784 6.435 ( 5.851 1.473 20.557) 21.424 6.640 ( -1.884 -4.920 19.592) 20.288 6.815 ( -2.515 -3.340 -0.592) 4.223 7.218 ( 16.108 5.362 -2.621) 17.178 7.360 ( 9.800 13.834 -1.740) 17.042 7.473 ( 12.187 3.034 4.083) 13.206 7.601 ( 7.962 6.417 0.167) 10.227 7.882 ( -2.290 3.011 0.692) 3.846 7.973 ( 19.301 10.954 -5.581) 22.884 8.070 ( 6.221 4.204 1.212) 7.605 8.345 ( 12.803 5.934 4.252) 14.738 8.555 ( 12.810 1.551 -3.286) 13.315 8.628 ( 7.657 2.302 -3.598) 8.767 8.750 ( 7.286 6.192 -6.777) 11.720 8.878 ( 8.585 5.342 2.219) 10.352 8.897 ( 2.306 1.435 10.492) 10.837 9.035 ( 0.951 7.195 0.859) 7.309 9.161 ( -3.196 1.984 -4.964) 6.228 9.216 ( -0.958 1.780 0.578) 2.102 9.347 ( 14.049 -4.083 1.264) 14.684 9.409 ( 7.412 5.585 -1.513) 9.403 9.452 ( -11.134 -3.681 -1.409) 11.811 9.578 ( 0.106 6.196 -8.305) 10.363 9.836 ( 4.151 7.887 -1.943) 9.122 10.158 ( 3.682 0.922 -6.188) 7.259 10.284 ( 0.037 -7.019 -7.002) 9.914 10.351 ( 1.488 -9.307 -1.098) 9.489 10.426 ( 1.415 9.305 -12.229) 15.432 10.602 ( 8.642 7.404 -3.380) 11.871 10.767 ( 11.262 2.069 -4.479) 12.296 10.873 ( -10.505 -5.638 -2.565) 12.195 10.958 ( 13.316 1.274 1.430) 13.453 11.029 ( -4.654 1.811 5.321) 7.298 11.150 ( -3.265 3.803 -4.983) 7.068 11.262 ( 4.380 -7.213 -1.774) 8.623 11.422 ( -6.521 8.398 3.715) 11.262 11.472 ( -6.005 -0.859 9.258) 11.068 11.607 ( -10.739 -5.764 1.961) 12.345 11.724 ( 9.330 -5.213 7.814) 13.239 11.959 ( -0.051 -7.356 0.396) 7.367 12.016 ( 0.292 -0.059 -3.618) 3.630 12.047 ( -20.850 -4.913 2.481) 21.565 12.175 ( 5.559 -6.922 6.894) 11.240 12.222 ( -3.608 -1.382 -3.321) 5.095 12.444 ( -10.741 3.858 1.442) 11.503 12.633 ( 10.964 8.624 -3.080) 14.285 12.781 ( -0.845 3.400 -2.693) 4.419 12.939 ( -6.329 5.032 -4.242) 9.131 13.047 ( -0.195 3.280 5.165) 6.121 13.142 ( 4.013 -6.366 -3.024) 8.111 13.433 ( 1.509 -2.733 3.050) 4.365 13.483 ( 4.799 1.622 4.384) 6.699 13.567 ( 12.967 9.120 9.659) 18.564 13.745 ( 12.937 -14.830 6.544) 20.739 13.839 ( 4.023 -0.928 1.360) 4.347 13.982 ( -0.322 7.106 6.237) 9.460 14.189 ( -9.833 -5.155 -1.489) 11.202 14.277 ( -13.523 -5.004 -0.581) 14.431 14.333 ( -8.339 -1.297 -4.102) 9.383 14.360 ( -8.250 9.099 0.453) 12.290 14.637 ( -10.583 -11.136 6.437) 16.656 14.757 ( 1.408 16.634 5.487) 17.572 14.810 ( 1.521 0.415 1.868) 2.444 14.975 ( 5.352 6.364 -2.933) 8.817 15.070 ( -2.340 1.366 -6.060) 6.638 15.130 ( 2.358 -4.799 0.351) 5.359 15.204 ( 8.849 -12.334 -1.694) 15.274 15.415 ( -8.245 -3.353 -2.328) 9.200 15.585 ( -2.740 -1.564 5.464) 6.309 15.653 ( -5.240 1.082 3.899) 6.620 15.748 ( -10.001 2.946 0.750) 10.452 15.811 ( -14.697 -2.855 -4.889) 15.750 16.203 ( -6.203 -16.125 -3.454) 17.619 16.316 ( -1.149 -1.533 4.698) 5.074 16.434 ( -2.474 -10.549 -2.417) 11.102 16.485 ( -4.215 0.712 -2.669) 5.040 16.580 ( -3.289 -8.312 6.337) 10.958 16.709 ( 4.753 -0.832 -0.314) 4.836 16.899 ( -0.019 3.842 -5.196) 6.462 16.978 ( -3.012 0.393 -0.659) 3.108 17.198 ( -2.616 -0.801 -18.264) 18.468 17.471 ( 1.976 3.453 8.821) 9.677 17.534 ( 6.526 2.218 1.994) 7.175 17.750 ( -1.643 4.088 -0.680) 4.458 17.911 ( 1.306 1.815 -0.224) 2.247 17.985 ( -6.836 -3.670 -2.497) 8.151 18.135 ( -2.656 -9.940 1.201) 10.359 18.366 ( -3.182 3.931 -4.295) 6.635 18.485 ( -2.947 1.820 1.085) 3.630 19.107 ( 5.230 2.830 -2.558) 6.473 19.294 ( 0.923 1.724 -1.342) 2.372 19.421 ( 4.957 -2.406 -2.542) 6.068 19.496 ( 2.986 2.335 -1.120) 3.953 19.618 ( -1.653 -1.373 -0.093) 2.151 19.938 ( -3.653 0.400 7.224) 8.105 19.990 ( -8.216 -5.770 3.177) 10.530 20.434 ( 1.580 -2.403 -2.702) 3.946 20.955 ( 6.223 4.930 1.079) 8.012 21.072 ( 4.790 2.102 1.096) 5.344 21.187 ( -7.394 -0.650 -1.283) 7.532 21.265 ( 0.573 -1.097 -0.754) 1.450 21.374 ( -2.502 -2.033 -0.980) 3.370 21.539 ( -8.849 -0.634 -1.487) 8.995 22.102 ( 7.332 5.251 19.372) 21.368 22.268 ( 2.139 -2.135 3.256) 4.442 23.154 ( -5.596 -3.162 -12.622) 14.164 23.431 ( 13.770 0.587 -4.797) 14.593 23.611 ( -0.656 7.220 5.774) 9.268 23.685 ( -2.655 3.743 -2.667) 5.308 23.842 ( 2.218 -0.233 -1.044) 2.462 23.934 ( -0.027 -1.859 -1.166) 2.195 24.044 ( 0.631 -3.019 0.896) 3.212 24.125 ( -5.167 -11.184 -4.600) 13.150 24.289 ( -12.301 -1.623 -1.191) 12.465 24.475 ( -4.231 -0.256 4.128) 5.917 25.218 ( 1.204 1.242 2.344) 2.913 25.784 ( 31.051 17.524 25.246) 43.687 26.302 ( 7.856 4.719 -5.432) 10.654 26.744 ( 10.334 6.224 15.410) 19.571 27.538 ( 10.299 6.337 6.460) 13.710 27.979 ( -2.138 5.014 -0.608) 5.485 27.986 ( 3.918 -5.663 -0.032) 6.886 28.860 ( -1.835 -1.214 -0.427) 2.241 30.055 ( -32.631 -18.324 -43.198) 57.154 ======================= Grid point 83 (21/68) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 24.078 35.042 30.761) 52.478 2.189 ( 19.003 34.621 26.240) 47.416 3.198 ( 4.808 14.042 18.040) 23.361 3.273 ( 0.185 -1.814 -1.540) 2.387 3.855 ( 29.065 49.940 20.201) 61.212 4.371 ( -4.258 -6.543 13.622) 15.700 5.255 ( 5.035 4.811 -34.286) 34.986 5.684 ( 4.084 13.175 -36.051) 38.600 6.298 ( -5.842 -9.231 16.426) 19.727 6.595 ( -3.877 -9.074 11.842) 15.415 6.737 ( -11.960 -2.710 1.471) 12.351 6.926 ( -6.283 -19.353 0.641) 20.358 7.080 ( -4.140 -7.350 4.510) 9.565 7.426 ( -2.679 -3.071 -3.000) 5.060 7.518 ( 4.592 -26.412 2.746) 26.948 7.698 ( -10.255 -17.625 -5.119) 21.024 7.819 ( -7.887 -9.318 2.799) 12.524 7.921 ( -5.919 -9.625 1.298) 11.374 8.130 ( -9.512 -8.195 0.630) 12.572 8.328 ( -11.282 -6.098 -3.739) 13.358 8.490 ( 5.753 -14.688 -4.982) 16.543 8.559 ( -9.781 -1.321 1.762) 10.026 8.713 ( -3.211 -10.737 -2.914) 11.580 8.762 ( -5.662 0.119 2.700) 6.274 9.000 ( -9.979 -3.089 -2.616) 10.768 9.145 ( -8.552 -0.344 2.445) 8.902 9.150 ( -5.991 -7.479 6.276) 11.455 9.292 ( 8.279 -6.476 1.435) 10.608 9.317 ( -1.047 -4.678 4.666) 6.690 9.574 ( -4.655 12.877 3.515) 14.137 9.665 ( 2.440 0.718 -8.317) 8.697 9.862 ( 8.186 -16.005 -5.505) 18.800 10.169 ( 9.057 -9.783 -10.610) 17.039 10.198 ( -7.801 0.136 -6.522) 10.169 10.247 ( 0.340 3.572 7.519) 8.331 10.422 ( -5.925 -6.594 -1.603) 9.009 10.549 ( 5.285 -0.955 -6.959) 8.790 10.619 ( -7.393 -13.053 -9.362) 17.683 10.695 ( -4.846 0.234 0.665) 4.897 10.973 ( 1.122 6.133 -3.233) 7.023 11.029 ( -4.255 -4.848 -0.389) 6.462 11.053 ( -11.859 -6.478 3.927) 14.072 11.329 ( 1.253 -2.052 5.121) 5.657 11.386 ( 4.681 3.010 -4.094) 6.909 11.470 ( -1.490 5.872 7.955) 9.998 11.551 ( -10.108 -6.911 5.833) 13.563 11.781 ( 1.742 9.268 3.990) 10.240 11.960 ( 5.177 -15.241 5.534) 17.021 12.009 ( 3.280 6.699 -2.227) 7.784 12.124 ( -6.784 7.559 2.195) 10.391 12.258 ( 6.460 3.729 -0.162) 7.461 12.371 ( 2.392 -0.205 -14.254) 14.455 12.568 ( -1.198 10.081 -6.804) 12.221 12.660 ( 1.754 1.475 1.595) 2.792 12.887 ( -2.422 -0.909 10.723) 11.031 12.996 ( 2.706 -3.897 4.493) 6.534 13.039 ( 5.460 1.987 -7.833) 9.753 13.132 ( 9.773 0.570 -3.963) 10.561 13.396 ( -1.421 0.968 -2.207) 2.797 13.440 ( 4.653 -2.939 -7.693) 9.459 13.587 ( 2.620 -4.513 6.852) 8.613 13.599 ( 12.021 3.623 11.586) 17.084 13.762 ( -4.775 -0.546 3.080) 5.709 13.996 ( -0.801 -2.314 8.532) 8.876 14.251 ( -2.019 0.057 1.603) 2.579 14.286 ( -6.015 6.291 0.038) 8.704 14.463 ( -8.879 0.344 5.603) 10.505 14.511 ( -3.451 4.486 -5.135) 7.642 14.565 ( 4.416 -0.792 -3.665) 5.793 14.772 ( -6.038 -1.998 0.148) 6.361 14.877 ( -0.347 10.123 7.111) 12.376 14.945 ( 5.783 -1.599 -5.767) 8.322 15.118 ( 2.767 3.924 -7.821) 9.178 15.143 ( 10.205 1.252 1.986) 10.472 15.237 ( 11.711 6.708 7.448) 15.415 15.571 ( -1.242 15.481 -1.504) 15.603 15.682 ( 2.846 12.267 4.680) 13.434 15.753 ( -0.517 5.046 1.198) 5.212 15.918 ( -0.107 5.046 -1.326) 5.219 16.053 ( -1.710 3.048 -0.384) 3.516 16.127 ( 8.296 2.680 0.325) 8.724 16.232 ( -5.486 1.741 8.670) 10.407 16.308 ( -9.519 7.674 -4.121) 12.903 16.565 ( -6.297 -6.739 -0.731) 9.253 16.626 ( 8.900 2.504 -0.022) 9.246 16.701 ( 10.420 4.774 -4.938) 12.480 16.950 ( 5.364 -2.075 -8.750) 10.471 17.059 ( 5.627 -5.212 1.594) 7.834 17.313 ( 4.020 7.250 -2.582) 8.683 17.489 ( 0.186 3.728 1.181) 3.915 17.604 ( 9.101 7.010 -3.503) 12.010 17.794 ( -1.509 5.005 0.646) 5.267 17.968 ( 3.895 -2.859 -2.671) 5.521 18.025 ( -8.223 5.558 2.776) 10.307 18.119 ( 8.210 0.657 1.036) 8.302 18.550 ( 7.144 4.065 0.113) 8.220 18.557 ( 3.217 7.601 -1.035) 8.318 19.032 ( -0.835 -5.820 -2.730) 6.483 19.220 ( -8.984 -4.351 0.644) 10.003 19.292 ( 0.552 -3.477 -0.523) 3.559 19.492 ( 1.545 -4.491 -2.389) 5.316 19.604 ( -2.920 2.636 1.747) 4.304 19.967 ( 0.908 1.324 6.339) 6.539 20.192 ( 6.954 9.821 0.669) 12.053 20.293 ( -8.646 -3.959 -5.061) 10.773 20.882 ( -2.666 -2.888 3.767) 5.444 20.969 ( -3.735 -5.568 0.571) 6.728 21.285 ( 2.661 -0.301 -2.816) 3.886 21.300 ( 0.308 9.759 -1.698) 9.910 21.436 ( 3.009 2.826 -4.686) 6.245 21.655 ( 1.119 4.088 0.924) 4.337 22.003 ( -1.651 -5.288 22.586) 23.255 22.216 ( -1.834 -0.937 2.263) 3.060 23.112 ( -6.858 -14.352 -4.974) 16.665 23.205 ( -5.127 0.760 -13.352) 14.323 23.668 ( -0.098 -6.705 -1.053) 6.788 23.765 ( 7.557 3.662 6.696) 10.740 23.836 ( 1.273 0.570 -1.277) 1.891 23.916 ( -1.697 2.451 0.255) 2.992 24.055 ( -2.677 0.708 -0.293) 2.785 24.155 ( 3.719 6.453 -6.285) 9.746 24.416 ( 1.710 4.900 -0.091) 5.191 24.595 ( 3.897 7.062 6.210) 10.179 25.207 ( 0.983 -6.797 6.350) 9.354 25.406 ( -7.392 -12.437 12.369) 19.034 26.222 ( -1.242 -5.079 -7.675) 9.286 26.624 ( -4.977 -3.832 10.449) 12.191 27.336 ( -7.571 -13.482 2.954) 15.742 27.858 ( -3.075 -5.639 -0.198) 6.426 28.089 ( 3.010 5.515 -1.137) 6.385 28.887 ( 1.190 1.261 -0.595) 1.833 30.373 ( 5.504 8.729 -26.523) 28.460 ======================= Grid point 84 (22/68) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 6.486 14.213 4.531) 16.267 2.872 ( 18.609 16.337 10.765) 27.001 3.250 ( 6.024 14.586 15.951) 22.438 3.492 ( 23.492 16.743 10.838) 30.817 4.245 ( -3.251 -2.120 8.729) 9.553 5.150 ( 41.112 45.709 16.601) 63.680 5.470 ( 11.561 8.536 -23.869) 27.861 5.675 ( -9.256 -4.875 -14.163) 17.607 5.969 ( -19.872 -17.999 -2.619) 26.940 6.290 ( -6.158 1.287 -0.842) 6.347 6.565 ( -3.215 -14.923 0.656) 15.280 6.815 ( 6.677 -5.175 2.671) 8.860 6.978 ( 1.086 -14.790 3.083) 15.147 7.204 ( -11.321 -12.890 6.811) 18.458 7.309 ( -3.834 -13.059 -4.195) 14.243 7.405 ( -9.490 -5.268 -4.576) 11.779 7.550 ( -7.081 -18.130 1.144) 19.497 7.747 ( -4.964 0.908 -2.176) 5.496 7.875 ( -8.848 -1.977 2.149) 9.317 8.098 ( -10.725 -2.911 2.620) 11.418 8.351 ( -4.697 -2.125 3.668) 6.327 8.463 ( -10.710 -1.781 3.207) 11.321 8.625 ( -3.498 -1.366 -5.188) 6.405 8.694 ( -16.143 0.284 -6.385) 17.362 8.830 ( 12.452 -4.577 4.179) 13.909 8.971 ( -6.856 -4.224 -1.331) 8.162 9.059 ( -3.738 4.194 1.884) 5.926 9.187 ( -10.107 1.020 6.117) 11.858 9.265 ( -4.857 -9.704 6.102) 12.450 9.577 ( -3.926 2.993 4.092) 6.412 9.620 ( -5.519 3.713 -5.134) 8.403 9.780 ( 1.208 -16.719 -1.641) 16.843 10.049 ( -6.250 -2.076 -4.538) 7.998 10.203 ( 4.964 -14.399 -9.228) 17.808 10.236 ( -8.936 -9.955 11.282) 17.500 10.295 ( -2.574 -7.988 -3.187) 8.978 10.418 ( 2.666 -3.051 -3.453) 5.323 10.604 ( -5.093 -0.789 1.247) 5.303 10.676 ( 4.986 2.085 7.527) 9.266 10.735 ( -11.479 1.489 0.493) 11.586 10.933 ( -1.594 -0.435 -6.909) 7.104 11.100 ( 2.165 2.412 0.345) 3.260 11.241 ( -9.042 -8.476 1.593) 12.496 11.310 ( 2.397 -5.822 2.174) 6.661 11.472 ( 5.035 -2.588 1.934) 5.983 11.651 ( -1.187 -6.311 -5.560) 8.494 11.787 ( -2.662 15.651 -1.176) 15.920 11.944 ( 10.136 -13.015 5.830) 17.496 12.043 ( 0.321 8.190 -1.595) 8.350 12.101 ( 0.542 -2.588 4.016) 4.808 12.189 ( -3.177 -3.542 -7.922) 9.241 12.515 ( 9.551 -8.039 2.670) 12.766 12.585 ( 5.129 0.310 -0.033) 5.139 12.767 ( -3.864 11.681 -8.470) 14.937 12.908 ( 0.305 -0.470 6.039) 6.065 12.968 ( 2.350 -1.622 4.150) 5.038 13.166 ( 10.430 5.896 -8.349) 14.603 13.286 ( -9.779 -3.336 -8.242) 13.217 13.426 ( 7.768 8.546 -2.986) 11.929 13.495 ( 2.263 1.289 -7.795) 8.219 13.603 ( 0.575 -3.626 3.956) 5.397 13.659 ( -2.508 3.605 -0.579) 4.430 13.934 ( 6.475 5.383 9.703) 12.847 14.047 ( 5.370 0.064 7.336) 9.092 14.156 ( -3.617 -2.084 10.227) 11.046 14.225 ( -8.651 9.390 7.037) 14.578 14.285 ( 1.929 -3.964 -6.463) 7.823 14.485 ( -0.767 -2.632 -12.303) 12.605 14.635 ( 0.449 1.154 -4.244) 4.421 14.683 ( 4.410 3.544 -0.037) 5.658 15.001 ( 0.167 1.527 1.938) 2.473 15.051 ( 2.007 1.712 -4.089) 4.866 15.128 ( -5.668 2.957 -5.354) 8.339 15.390 ( 11.062 2.915 1.966) 11.607 15.498 ( 6.556 7.572 5.379) 11.369 15.690 ( -10.777 6.707 7.867) 14.934 15.744 ( 9.031 10.966 5.813) 15.350 15.813 ( -0.233 6.638 -11.048) 12.891 15.839 ( -8.350 5.130 5.868) 11.422 16.086 ( 0.824 -0.657 -4.373) 4.498 16.206 ( 5.083 1.213 1.945) 5.576 16.299 ( 1.634 10.592 -0.216) 10.720 16.383 ( -3.795 2.323 6.853) 8.171 16.483 ( 14.300 -1.298 -1.499) 14.436 16.805 ( 8.094 -3.397 2.576) 9.148 16.910 ( 7.215 6.670 -10.248) 14.197 17.018 ( 1.896 -2.161 1.072) 3.068 17.116 ( 9.951 -0.939 -0.145) 9.996 17.411 ( -0.186 4.475 0.881) 4.564 17.581 ( 2.147 9.181 2.867) 9.855 17.671 ( -4.039 -4.480 0.139) 6.033 17.847 ( -3.413 -3.928 1.558) 5.432 17.950 ( -1.626 1.498 -9.498) 9.752 18.034 ( 6.960 12.687 -1.788) 14.581 18.313 ( 10.511 -0.788 3.932) 11.251 18.626 ( 2.028 3.246 3.182) 4.978 18.701 ( 0.868 1.221 2.728) 3.113 18.924 ( -6.084 -7.929 -3.641) 10.637 19.118 ( -0.933 4.476 2.084) 5.025 19.282 ( 2.145 -0.415 -0.202) 2.194 19.444 ( -1.590 -2.818 -0.461) 3.268 19.613 ( 0.670 3.066 0.862) 3.254 19.975 ( -0.977 -1.583 1.937) 2.685 20.126 ( -3.442 -3.054 -6.217) 7.735 20.358 ( -0.218 7.205 1.949) 7.467 20.788 ( -0.404 -8.776 3.582) 9.487 20.904 ( -0.906 1.394 1.415) 2.184 21.329 ( 2.599 -0.093 -2.235) 3.429 21.392 ( -1.292 10.271 -1.573) 10.471 21.496 ( -0.039 2.204 -6.103) 6.489 21.671 ( 0.666 -1.088 2.265) 2.600 21.973 ( 2.573 -2.972 16.393) 16.858 22.181 ( -1.821 0.083 2.692) 3.251 22.799 ( -8.356 -16.731 -3.849) 19.093 23.169 ( -2.911 3.451 -10.889) 11.787 23.566 ( -4.867 -4.280 -3.089) 7.180 23.858 ( 0.562 1.008 -0.332) 1.201 23.890 ( -1.675 1.872 0.941) 2.683 23.949 ( 6.646 3.035 4.027) 8.343 24.045 ( 1.983 -1.280 1.720) 2.921 24.300 ( 6.526 3.748 -4.024) 8.534 24.464 ( 0.715 1.216 0.808) 1.625 24.715 ( 2.324 3.921 4.730) 6.569 25.060 ( -5.967 -5.280 5.413) 9.633 25.368 ( 3.552 2.626 3.316) 5.524 26.117 ( -4.973 -8.818 -1.503) 10.235 26.513 ( -3.656 -0.110 3.957) 5.389 27.062 ( -8.755 -10.957 -0.489) 14.034 27.770 ( 1.111 -8.745 -0.136) 8.816 28.179 ( -2.674 11.736 -1.280) 12.105 28.922 ( 3.055 -1.815 -0.913) 3.669 30.453 ( 0.622 0.015 -14.088) 14.102 ======================= Grid point 85 (23/68) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -4.477 3.085 -0.176) 5.440 3.025 ( 1.894 -1.493 -0.053) 2.412 3.849 ( 23.598 20.618 11.793) 33.482 4.127 ( 3.876 7.672 11.297) 14.195 4.332 ( 21.919 24.018 11.934) 34.637 5.001 ( -27.691 -14.442 2.124) 31.303 5.219 ( -19.621 -15.138 7.691) 25.948 5.904 ( 9.533 5.623 -18.801) 21.816 6.180 ( 2.532 -18.799 -7.591) 20.432 6.268 ( 8.965 5.377 -17.574) 20.448 6.517 ( 17.737 -15.513 6.479) 24.438 6.823 ( -3.667 -17.117 -2.089) 17.630 6.952 ( 3.016 11.771 0.504) 12.162 7.043 ( 13.855 -2.465 9.265) 16.848 7.133 ( -2.833 -5.385 -5.549) 8.235 7.242 ( -6.243 8.104 2.191) 10.462 7.375 ( 8.067 -2.740 -2.731) 8.947 7.746 ( -0.795 7.625 -6.320) 9.936 7.842 ( -7.378 8.887 8.695) 14.457 8.025 ( 0.254 13.180 1.352) 13.252 8.181 ( -15.621 -5.868 0.224) 16.689 8.215 ( -13.714 3.956 7.629) 16.184 8.401 ( -20.475 -0.755 3.063) 20.716 8.567 ( 0.803 -5.845 -10.729) 12.244 8.854 ( -13.975 1.602 0.503) 14.076 8.886 ( -3.189 3.092 2.403) 5.050 8.945 ( 0.430 -6.125 6.893) 9.232 9.095 ( -1.069 1.539 4.359) 4.745 9.169 ( 3.244 -2.796 -0.108) 4.283 9.383 ( -11.720 -11.006 8.252) 18.072 9.601 ( 1.084 -3.504 1.826) 4.097 9.664 ( 0.041 4.073 5.868) 7.143 9.921 ( -3.567 -10.447 7.962) 13.611 10.004 ( 5.725 -6.332 -1.693) 8.703 10.152 ( 0.627 -5.025 -7.124) 8.740 10.252 ( 2.006 -3.876 -2.054) 4.824 10.439 ( -6.622 -4.903 1.749) 8.423 10.535 ( -3.590 3.468 1.450) 5.198 10.585 ( 2.666 1.427 -0.906) 3.157 10.768 ( 0.884 1.766 -0.709) 2.099 11.007 ( -4.279 12.607 4.549) 14.069 11.058 ( -8.020 4.053 -1.212) 9.068 11.122 ( 6.598 -10.721 -0.091) 12.589 11.321 ( 5.679 -4.855 2.187) 7.785 11.411 ( 3.040 -16.213 -2.576) 16.695 11.602 ( 2.191 -4.437 -5.658) 7.517 11.865 ( -1.012 2.528 -1.686) 3.203 11.988 ( 5.610 -6.895 -1.125) 8.960 12.061 ( 7.011 -9.490 5.696) 13.102 12.172 ( 0.732 5.514 -0.248) 5.568 12.314 ( 10.599 2.358 -6.050) 12.430 12.504 ( 0.434 -12.893 -6.703) 14.537 12.581 ( 6.472 -4.996 -3.176) 8.771 12.879 ( -4.007 9.786 -1.486) 10.679 12.892 ( 2.112 -0.734 6.813) 7.171 12.976 ( -7.840 1.295 3.252) 8.587 13.128 ( 1.115 3.716 -7.051) 8.048 13.349 ( -0.631 -1.136 -0.566) 1.417 13.460 ( -2.638 -4.247 -1.067) 5.112 13.559 ( 3.271 11.239 -5.723) 13.030 13.606 ( 3.599 -8.717 -3.666) 10.118 13.711 ( -2.259 14.359 -2.510) 14.751 13.856 ( -6.919 -8.900 -2.216) 11.489 13.977 ( -5.462 9.092 4.879) 11.675 14.165 ( 0.538 -3.663 2.845) 4.670 14.345 ( 7.034 -3.011 -1.073) 7.726 14.393 ( 3.253 2.706 2.474) 4.901 14.508 ( 5.546 7.780 -4.419) 10.527 14.693 ( 2.323 -2.559 -10.064) 10.641 14.835 ( -0.645 7.407 -2.015) 7.703 14.867 ( -1.170 1.270 -0.614) 1.833 15.040 ( -4.114 -0.879 1.161) 4.364 15.125 ( -3.093 6.378 -1.921) 7.344 15.469 ( -9.748 8.535 5.950) 14.257 15.557 ( -3.015 1.088 7.010) 7.708 15.643 ( 2.631 2.072 -3.581) 4.903 15.698 ( -4.243 0.339 6.523) 7.789 15.963 ( 2.884 11.382 -8.480) 14.484 15.996 ( 10.877 -3.825 6.614) 13.293 16.071 ( 0.769 -0.239 3.444) 3.537 16.307 ( 2.297 -0.597 -4.963) 5.502 16.331 ( -4.107 4.108 4.148) 7.138 16.453 ( 4.536 5.902 -6.511) 9.890 16.670 ( 3.864 -2.909 1.830) 5.171 16.826 ( -0.533 -0.451 3.167) 3.243 16.972 ( -1.059 4.596 -5.196) 7.017 17.175 ( 3.674 1.838 1.088) 4.249 17.301 ( 9.029 -1.875 3.162) 9.748 17.392 ( -2.414 1.386 8.549) 8.991 17.558 ( 1.071 -3.319 0.854) 3.591 17.657 ( 2.783 -4.400 -2.717) 5.873 17.739 ( -3.550 4.140 5.503) 7.748 17.975 ( 0.508 6.298 -9.015) 11.009 18.252 ( 0.882 9.555 -5.524) 11.072 18.421 ( 3.543 -4.750 4.924) 7.705 18.610 ( -2.868 -6.008 6.121) 9.044 18.669 ( -6.641 -4.569 -5.043) 9.508 18.713 ( -0.312 -4.078 3.396) 5.316 19.176 ( -2.610 9.883 3.274) 10.733 19.333 ( 1.574 -0.726 0.229) 1.749 19.449 ( 1.561 0.526 -3.153) 3.557 19.681 ( 2.973 4.975 1.233) 5.925 19.920 ( -1.089 -3.033 -0.767) 3.312 20.127 ( 3.484 2.714 -0.227) 4.422 20.329 ( -5.027 -0.405 -0.869) 5.118 20.727 ( 3.532 -9.972 3.587) 11.170 20.941 ( 0.663 4.178 0.401) 4.250 21.361 ( -1.082 2.161 -2.104) 3.204 21.453 ( -1.627 2.323 -8.498) 8.959 21.479 ( -1.643 5.769 6.033) 8.507 21.706 ( 5.862 -3.359 4.207) 7.959 21.977 ( -2.049 -1.912 1.935) 3.406 22.173 ( 1.922 0.560 5.612) 5.958 22.546 ( -2.170 -13.066 -1.802) 13.367 23.181 ( -0.451 5.535 -7.279) 9.156 23.435 ( -6.225 -1.883 -5.915) 8.791 23.875 ( 0.452 -0.186 3.131) 3.169 23.885 ( -1.004 3.199 -1.614) 3.721 24.049 ( 2.211 0.481 2.700) 3.523 24.086 ( 4.397 -2.109 2.267) 5.378 24.418 ( 2.735 0.881 -1.105) 3.079 24.490 ( 2.592 -1.993 0.283) 3.282 24.697 ( -2.073 -4.664 -1.134) 5.228 25.004 ( -3.730 9.228 3.975) 10.718 25.500 ( 6.724 3.980 5.145) 9.356 25.864 ( -9.886 -10.927 4.794) 15.496 26.539 ( 3.677 3.641 -2.707) 5.840 26.846 ( -5.349 -7.070 -1.441) 8.982 27.724 ( 4.103 -9.460 -0.185) 10.313 28.228 ( -7.123 15.063 -1.264) 16.710 28.947 ( 3.430 -4.816 -1.230) 6.039 30.443 ( -0.126 -1.271 -8.971) 9.062 ======================= Grid point 86 (24/68) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -0.833 5.284 1.900) 5.677 3.007 ( -1.775 -2.729 -1.507) 3.588 3.847 ( -26.356 -5.987 13.011) 29.996 4.095 ( -31.688 -10.269 4.835) 33.659 4.244 ( -5.909 -0.426 14.222) 15.407 5.123 ( 26.571 12.043 4.396) 29.502 5.320 ( 15.830 21.961 5.275) 27.581 5.929 ( 5.737 -6.261 -11.544) 14.331 6.032 ( 4.465 -23.441 -10.340) 26.006 6.282 ( -1.757 -2.455 -13.260) 13.599 6.605 ( 5.232 -15.297 -4.546) 16.794 6.777 ( -1.983 -8.031 3.801) 9.103 6.878 ( -1.059 -2.291 1.499) 2.936 6.957 ( 3.343 -6.604 2.496) 7.811 7.165 ( -27.499 -3.025 1.936) 27.733 7.313 ( 12.939 -1.075 0.763) 13.006 7.349 ( -7.789 -0.255 -2.749) 8.264 7.741 ( 2.763 9.104 -0.402) 9.523 7.970 ( -0.769 9.458 7.761) 12.259 8.056 ( -6.165 5.101 -0.198) 8.004 8.104 ( 7.294 2.479 3.193) 8.339 8.330 ( 17.637 18.368 1.845) 25.531 8.349 ( -3.381 17.603 -0.380) 17.929 8.606 ( 10.773 8.287 -8.846) 16.217 8.750 ( 5.775 7.123 -3.990) 10.001 8.879 ( -0.229 -4.344 2.296) 4.918 8.949 ( 1.411 8.189 0.605) 8.332 9.096 ( -1.982 1.153 5.243) 5.722 9.213 ( 4.623 -1.271 7.967) 9.298 9.303 ( 7.795 0.321 11.288) 13.722 9.611 ( 3.755 -7.503 7.508) 11.259 9.740 ( 1.802 3.928 3.041) 5.284 9.864 ( 6.361 -1.967 0.324) 6.666 9.949 ( -0.393 -17.758 -4.848) 18.412 10.174 ( 2.226 -1.304 -1.053) 2.786 10.260 ( 1.709 4.400 -1.076) 4.842 10.344 ( 3.016 0.316 -0.422) 3.062 10.548 ( 0.170 5.930 3.179) 6.731 10.750 ( 2.469 0.844 -0.139) 2.613 10.764 ( 1.840 -0.608 -1.868) 2.691 10.921 ( -2.409 2.204 2.421) 4.065 11.023 ( -3.700 6.888 -0.087) 7.819 11.172 ( 4.490 -4.541 1.082) 6.477 11.287 ( 1.695 -12.555 -5.277) 13.724 11.451 ( 8.120 -1.391 1.068) 8.307 11.563 ( 0.662 -5.631 -2.007) 6.015 11.865 ( 7.886 -9.340 0.497) 12.234 12.045 ( 2.660 -0.841 -3.308) 4.327 12.115 ( 0.339 2.645 1.960) 3.309 12.180 ( 0.637 -3.823 0.948) 3.990 12.372 ( 5.502 -17.477 -1.794) 18.411 12.418 ( -4.275 3.942 -0.821) 5.872 12.546 ( -0.937 -18.024 3.373) 18.361 12.803 ( -0.010 5.155 -6.049) 7.948 12.939 ( -3.002 5.666 0.289) 6.419 12.969 ( -0.452 1.318 2.049) 2.478 13.210 ( -8.606 12.299 -2.374) 15.198 13.334 ( -7.036 -0.139 -6.255) 9.415 13.379 ( 8.183 0.070 -4.738) 9.456 13.510 ( 1.140 -8.956 -7.892) 11.992 13.620 ( -4.303 3.358 -5.610) 7.828 13.703 ( -5.564 -1.027 -4.962) 7.526 13.854 ( 2.107 3.212 12.427) 13.008 13.991 ( -5.532 13.208 -6.705) 15.812 14.139 ( 3.666 -6.045 2.781) 7.597 14.339 ( -8.212 -1.147 1.998) 8.529 14.423 ( 5.574 -5.764 3.804) 8.875 14.615 ( -0.911 5.205 -9.421) 10.801 14.690 ( 3.853 -1.732 -8.337) 9.346 14.821 ( -8.562 0.879 -7.451) 11.384 14.886 ( -3.991 -1.843 7.398) 8.606 14.973 ( -3.357 11.453 5.839) 13.287 15.205 ( 7.548 3.046 -2.589) 8.541 15.334 ( -9.048 -0.488 8.204) 12.223 15.583 ( -6.242 7.502 10.309) 14.196 15.678 ( 0.327 6.514 -3.539) 7.421 15.704 ( 7.517 -3.151 -3.612) 8.915 15.997 ( -1.196 -7.483 8.202) 11.167 16.080 ( 1.507 -2.826 13.296) 13.676 16.103 ( -1.621 1.512 -10.785) 11.011 16.216 ( -8.528 8.323 -5.978) 13.332 16.391 ( 4.706 0.938 0.222) 4.804 16.540 ( 1.515 -3.090 -9.086) 9.716 16.589 ( -3.662 -6.660 2.470) 7.991 16.815 ( -6.013 4.586 -3.485) 8.327 16.921 ( -7.664 -0.205 3.704) 8.514 17.061 ( -9.744 -1.837 6.074) 11.628 17.162 ( -8.986 -6.303 -1.188) 11.040 17.456 ( -0.603 2.130 2.693) 3.486 17.658 ( 2.886 1.905 -6.286) 7.174 17.720 ( 15.193 -9.009 9.467) 20.040 17.846 ( -0.323 8.788 2.646) 9.183 18.011 ( 0.786 -1.675 -5.946) 6.227 18.220 ( -10.640 0.554 -7.233) 12.878 18.245 ( -10.496 -3.352 3.511) 11.564 18.548 ( 1.271 1.185 2.054) 2.690 18.624 ( 4.371 -0.166 5.024) 6.661 18.788 ( 7.372 -0.900 1.068) 7.503 19.191 ( -4.585 6.477 1.597) 8.095 19.328 ( -4.248 -0.679 -2.775) 5.119 19.397 ( -3.346 -0.420 -3.580) 4.918 19.742 ( -0.953 -0.490 3.615) 3.770 19.909 ( 1.887 0.227 -0.121) 1.904 20.239 ( -1.551 -4.134 -3.577) 5.682 20.315 ( 10.010 7.389 1.345) 12.514 20.686 ( 2.536 -9.070 5.443) 10.877 20.970 ( -1.157 1.956 0.065) 2.273 21.315 ( -4.735 1.484 -1.350) 5.142 21.438 ( -1.974 4.047 -5.686) 7.253 21.567 ( 4.456 2.441 3.890) 6.399 21.743 ( -1.046 -6.019 1.127) 6.213 21.879 ( -2.468 0.150 6.620) 7.066 22.230 ( 1.735 -0.118 3.708) 4.095 22.523 ( 11.532 -5.819 -2.429) 13.143 23.273 ( 3.410 7.773 -4.463) 9.590 23.328 ( -4.399 -0.828 -8.493) 9.600 23.873 ( 0.062 -0.727 3.058) 3.144 23.904 ( -1.254 3.271 -0.642) 3.561 24.049 ( -1.879 -0.908 2.142) 2.990 24.126 ( 2.412 -3.452 2.054) 4.685 24.417 ( -2.866 -7.448 -1.960) 8.218 24.442 ( 0.577 -0.628 0.684) 1.094 24.682 ( 1.266 0.700 -0.044) 1.447 25.026 ( -5.168 8.461 2.804) 10.303 25.488 ( -7.393 -5.078 5.366) 10.452 25.827 ( 11.005 3.449 2.653) 11.834 26.610 ( -0.012 -1.762 1.230) 2.148 26.811 ( 7.420 1.630 -3.586) 8.401 27.724 ( 6.098 -8.256 -0.220) 10.266 28.231 ( -9.321 13.880 -1.276) 16.768 28.942 ( 2.088 -5.590 -1.265) 6.100 30.440 ( 0.887 -0.502 -9.051) 9.109 ======================= Grid point 87 (25/68) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -17.414 3.499 14.324) 22.818 2.818 ( -22.364 -5.281 3.325) 23.218 3.305 ( -19.432 1.935 14.898) 24.562 3.448 ( -18.382 -11.875 7.973) 23.291 4.258 ( 3.247 0.416 9.683) 10.221 5.097 ( -49.745 -7.943 11.180) 51.601 5.484 ( -27.176 -6.160 -21.402) 35.136 5.868 ( 4.962 -10.615 -18.582) 21.968 5.946 ( 22.131 6.603 0.552) 23.101 6.394 ( 6.426 -4.244 3.807) 8.591 6.566 ( 19.783 18.186 3.333) 27.078 6.662 ( 13.014 -10.417 -0.480) 16.677 6.882 ( -1.919 -2.233 9.675) 10.113 7.083 ( 14.822 11.442 -1.773) 18.808 7.296 ( 15.185 -5.945 5.157) 17.104 7.408 ( 9.086 5.338 -9.054) 13.893 7.578 ( 16.486 -2.674 -1.278) 16.750 7.832 ( 6.688 -3.855 8.877) 11.764 7.973 ( 3.368 0.798 2.216) 4.110 8.078 ( 7.785 4.963 -5.179) 10.586 8.301 ( 2.704 9.024 -6.350) 11.361 8.449 ( 7.475 11.951 -4.106) 14.683 8.606 ( 0.238 3.521 2.639) 4.406 8.768 ( 2.017 -3.441 1.173) 4.158 8.880 ( 8.459 -0.179 0.276) 8.466 9.003 ( 5.670 8.103 1.171) 9.959 9.096 ( 0.000 0.633 11.580) 11.598 9.184 ( 7.616 -6.373 0.734) 9.958 9.306 ( 4.586 9.267 5.525) 11.724 9.581 ( 4.974 1.344 1.871) 5.482 9.666 ( 11.878 7.929 -5.533) 15.316 9.720 ( 0.231 -6.184 -1.885) 6.469 9.861 ( 8.357 6.063 -2.327) 10.584 10.134 ( 11.518 9.393 -0.870) 14.888 10.177 ( 4.265 -3.374 -0.148) 5.440 10.299 ( -2.029 -0.716 -12.035) 12.226 10.449 ( 10.910 -5.977 0.958) 12.476 10.600 ( -4.043 3.356 7.763) 9.374 10.643 ( 0.869 1.986 -2.355) 3.201 10.881 ( 5.305 -0.207 -5.203) 7.433 10.985 ( 4.618 -5.198 5.918) 9.130 11.078 ( 0.036 1.472 3.104) 3.435 11.220 ( 7.678 1.610 2.247) 8.160 11.285 ( 6.804 0.678 -1.925) 7.103 11.502 ( 9.293 -15.929 -2.813) 18.655 11.603 ( -0.656 11.786 4.968) 12.807 11.831 ( -8.725 -10.470 4.078) 14.226 11.977 ( -1.563 -2.731 0.303) 3.161 12.070 ( -6.067 3.772 -0.715) 7.180 12.214 ( 3.926 -5.974 -2.460) 7.560 12.283 ( -1.184 -7.181 -2.053) 7.562 12.355 ( 2.304 -1.474 2.184) 3.500 12.505 ( 7.146 -4.754 0.702) 8.611 12.847 ( -1.095 2.919 3.161) 4.439 12.897 ( -2.370 -3.446 1.777) 4.544 12.944 ( -4.501 0.799 -4.950) 6.738 13.107 ( -6.835 3.049 -7.680) 10.723 13.192 ( -13.789 11.890 -8.858) 20.248 13.423 ( -0.279 -1.362 -11.071) 11.158 13.501 ( -7.747 -0.676 -1.957) 8.019 13.622 ( -0.775 -6.475 3.643) 7.470 13.664 ( 5.160 3.564 -4.693) 7.833 13.785 ( -11.786 8.216 10.218) 17.630 14.013 ( -3.299 1.285 4.798) 5.963 14.126 ( 0.135 5.851 -2.175) 6.244 14.286 ( 6.731 -5.224 6.824) 10.917 14.467 ( 5.190 -3.064 -0.780) 6.077 14.561 ( -4.540 -3.172 -7.315) 9.176 14.661 ( -0.668 -10.109 0.045) 10.131 14.779 ( 1.206 -6.157 1.933) 6.565 14.814 ( -3.431 10.518 -3.174) 11.510 15.043 ( -1.278 8.034 -0.536) 8.152 15.157 ( -7.194 -2.464 5.958) 9.661 15.298 ( -2.962 -0.580 -0.907) 3.152 15.411 ( -16.068 3.002 9.984) 19.154 15.723 ( 0.949 2.669 -11.432) 11.778 15.834 ( -5.970 -4.907 7.004) 10.430 15.916 ( 2.175 6.958 7.088) 10.167 15.999 ( -8.577 -2.591 -2.242) 9.236 16.058 ( 2.803 -6.428 0.775) 7.056 16.187 ( -5.378 6.666 0.820) 8.604 16.304 ( -7.997 -9.563 3.123) 12.852 16.457 ( 3.709 -7.801 -7.974) 11.756 16.592 ( -6.552 -14.236 8.676) 17.913 16.630 ( -1.812 8.341 -2.690) 8.950 16.838 ( -8.909 2.077 -1.733) 9.310 16.936 ( -2.739 7.612 2.592) 8.495 16.997 ( -5.932 -0.672 -7.155) 9.319 17.449 ( -5.070 4.000 -5.868) 8.726 17.612 ( -9.155 -5.297 5.303) 11.832 17.703 ( -2.305 -1.554 -1.694) 3.255 17.926 ( 3.321 -6.579 -1.762) 7.578 17.949 ( -4.332 -1.230 -5.109) 6.810 18.031 ( -3.816 4.384 1.197) 5.934 18.197 ( -3.115 0.208 4.291) 5.307 18.582 ( -1.781 2.884 5.475) 6.439 18.673 ( -3.378 3.397 0.072) 4.791 18.915 ( 6.533 1.212 -4.243) 7.884 19.196 ( -2.271 1.127 -0.267) 2.549 19.211 ( 1.386 -0.428 0.561) 1.555 19.411 ( 1.872 2.535 -2.299) 3.901 19.677 ( -2.499 -3.996 2.625) 5.394 19.958 ( 1.548 1.577 2.466) 3.312 20.202 ( 3.048 -4.519 -7.847) 9.554 20.422 ( -5.762 -1.706 4.165) 7.312 20.728 ( 10.053 0.705 5.257) 11.366 20.949 ( -0.730 -1.662 0.804) 1.986 21.275 ( -1.670 1.957 -1.369) 2.914 21.446 ( -2.822 3.883 -4.019) 6.261 21.543 ( -8.792 -6.486 -6.868) 12.905 21.662 ( 2.083 1.300 2.620) 3.591 21.920 ( 3.349 0.867 19.917) 20.216 22.223 ( -0.013 -2.243 3.026) 3.767 22.778 ( 19.038 0.014 -4.521) 19.568 23.256 ( -1.556 -3.218 -12.396) 12.901 23.455 ( 6.490 10.490 -1.567) 12.435 23.860 ( -0.986 -1.076 1.549) 2.128 23.879 ( -3.870 -0.432 3.190) 5.034 23.987 ( -5.278 1.564 1.470) 5.698 24.077 ( 0.020 -6.503 -0.145) 6.505 24.292 ( -4.249 -5.126 -5.905) 8.900 24.463 ( 0.139 0.180 1.499) 1.516 24.690 ( -3.008 2.076 8.536) 9.285 25.033 ( 1.698 5.190 2.053) 5.834 25.364 ( -2.505 -1.582 3.452) 4.549 26.069 ( 9.924 4.178 -2.630) 11.084 26.583 ( 1.840 -3.175 6.094) 7.113 27.047 ( 14.562 3.625 -1.323) 15.065 27.769 ( 6.922 -5.239 -0.205) 8.683 28.183 ( -8.884 8.016 -1.301) 12.037 28.915 ( 0.036 -3.117 -0.984) 3.269 30.448 ( -0.524 -0.106 -14.208) 14.218 ======================= Grid point 92 (26/68) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.223 0.551 0.472) 0.759 2.961 ( 1.142 -0.307 -1.146) 1.646 3.760 ( 14.049 27.402 14.506) 34.040 4.047 ( 24.792 32.347 11.628) 42.381 4.251 ( 4.997 6.557 10.391) 13.264 5.271 ( -10.751 -20.223 1.118) 22.930 5.479 ( -27.398 -0.682 -0.791) 27.418 5.749 ( 14.941 -1.195 -15.349) 21.453 5.983 ( 0.647 -16.397 0.682) 16.424 6.234 ( -4.820 -7.851 -12.348) 15.406 6.279 ( -13.738 -6.449 -6.046) 16.336 6.727 ( 4.266 0.665 4.992) 6.600 6.849 ( 2.367 -1.635 9.125) 9.568 7.029 ( 6.906 7.294 2.944) 10.467 7.085 ( 5.736 10.787 -6.126) 13.667 7.258 ( -5.970 -10.204 7.924) 14.232 7.393 ( 0.011 2.650 -10.748) 11.070 7.798 ( 1.151 2.973 -1.419) 3.489 7.998 ( -3.550 5.088 3.839) 7.295 8.063 ( 4.209 5.744 2.672) 7.606 8.257 ( 2.967 -6.944 -3.296) 8.240 8.469 ( -3.166 0.857 -4.326) 5.429 8.546 ( -9.807 -3.382 -5.617) 11.797 8.683 ( -6.196 -4.405 0.943) 7.660 8.831 ( 1.346 0.147 4.088) 4.306 8.899 ( 3.521 -7.263 3.099) 8.646 9.054 ( -1.709 -3.870 7.956) 9.011 9.147 ( -4.494 2.437 5.684) 7.645 9.244 ( -6.193 -2.858 10.037) 12.135 9.396 ( -4.823 -14.919 -2.777) 15.923 9.450 ( -1.945 -20.963 7.479) 22.343 9.668 ( -2.280 -0.677 4.091) 4.732 9.800 ( -1.088 -7.316 0.638) 7.424 9.951 ( -5.328 -10.337 5.027) 12.670 10.075 ( -4.385 -8.132 3.704) 9.954 10.252 ( 0.746 5.737 -9.186) 10.856 10.400 ( 3.545 4.229 -6.945) 8.870 10.565 ( -3.663 -4.512 -0.362) 5.823 10.676 ( -1.751 1.251 3.408) 4.030 10.846 ( 5.543 -3.894 0.003) 6.774 10.951 ( -10.467 2.269 -4.220) 11.512 11.046 ( 0.827 -6.013 2.241) 6.470 11.168 ( 3.067 -1.213 -0.943) 3.430 11.220 ( 4.860 -3.405 -0.667) 5.972 11.271 ( -8.865 -2.483 1.603) 9.345 11.622 ( -9.006 0.195 -2.041) 9.236 11.749 ( 9.726 -7.018 12.833) 17.565 11.983 ( -10.928 -4.259 0.771) 11.754 12.082 ( -5.157 9.015 -0.282) 10.389 12.178 ( -0.209 -2.085 -6.248) 6.590 12.260 ( -0.850 5.371 2.107) 5.832 12.332 ( 12.329 -7.218 -2.193) 14.454 12.474 ( 1.932 4.149 -5.664) 7.282 12.872 ( -2.982 2.984 4.455) 6.136 12.968 ( 9.332 -1.063 1.839) 9.571 13.028 ( 2.112 3.828 -4.180) 6.049 13.170 ( -13.652 -3.034 -3.374) 14.387 13.327 ( 4.066 6.762 -8.717) 11.757 13.429 ( 2.124 -6.582 -6.252) 9.323 13.496 ( 1.075 -3.624 -3.778) 5.345 13.641 ( 0.468 7.055 0.533) 7.091 13.754 ( 5.643 -0.424 -16.043) 17.012 13.891 ( -6.861 -5.002 15.448) 17.628 14.024 ( 0.475 -7.275 -5.434) 9.093 14.120 ( 4.927 10.727 1.499) 11.899 14.303 ( 3.530 5.619 4.249) 7.880 14.492 ( 1.982 6.131 0.557) 6.467 14.552 ( -4.974 9.717 -4.614) 11.851 14.648 ( 2.291 0.833 -10.168) 10.456 14.799 ( 4.150 1.733 -10.583) 11.499 14.952 ( 3.648 2.415 1.226) 4.544 15.087 ( -3.560 -3.050 -3.058) 5.597 15.195 ( -5.787 8.784 9.687) 14.300 15.395 ( 14.255 -4.236 5.793) 15.960 15.639 ( 2.133 -0.993 -0.156) 2.358 15.676 ( -1.336 1.012 7.284) 7.475 15.830 ( -8.743 1.810 2.980) 9.413 15.914 ( 10.287 -4.406 -7.238) 13.328 15.961 ( -6.141 7.266 10.774) 14.373 16.076 ( 0.525 3.605 -7.397) 8.245 16.293 ( -4.773 6.075 -2.760) 8.204 16.416 ( -0.702 2.103 7.076) 7.415 16.478 ( 11.607 -2.051 -2.538) 12.057 16.638 ( -2.646 11.434 1.766) 11.868 16.713 ( 7.399 4.175 7.645) 11.429 17.007 ( 4.901 2.902 -9.250) 10.863 17.075 ( 6.181 3.784 -0.473) 7.263 17.144 ( 8.214 5.601 0.546) 9.956 17.478 ( -4.591 -1.885 0.040) 4.963 17.533 ( -7.276 -7.830 13.871) 17.511 17.687 ( -3.647 -1.115 0.195) 3.818 17.844 ( -1.805 8.284 -1.229) 8.567 18.038 ( 2.792 7.788 -4.999) 9.666 18.224 ( 8.307 -2.672 0.086) 8.727 18.295 ( 6.326 7.182 -3.222) 10.098 18.600 ( 0.973 -3.699 6.884) 7.876 18.620 ( -3.681 -8.558 0.290) 9.320 18.755 ( -7.297 -7.983 -0.904) 10.854 19.261 ( 2.157 2.141 -4.879) 5.748 19.318 ( 3.598 8.139 1.194) 8.978 19.422 ( 2.567 0.887 -2.271) 3.540 19.708 ( 0.634 5.446 4.085) 6.837 19.918 ( -1.990 -3.401 0.665) 3.996 20.139 ( -1.865 3.888 -1.220) 4.482 20.460 ( -4.478 1.976 0.059) 4.895 20.534 ( -1.099 -14.267 3.592) 14.753 20.998 ( 2.061 6.334 0.957) 6.730 21.309 ( 0.840 -1.164 -0.892) 1.690 21.517 ( 1.428 0.799 -6.323) 6.531 21.580 ( -0.394 1.250 2.456) 2.784 21.626 ( -3.114 1.730 1.379) 3.820 21.933 ( 4.906 0.311 9.231) 10.458 22.204 ( -2.472 1.562 2.487) 3.838 22.471 ( -6.953 -15.146 -3.217) 16.974 23.258 ( -1.615 4.987 -9.077) 10.482 23.437 ( 1.717 -6.850 -3.064) 7.697 23.874 ( 1.064 1.110 0.954) 1.810 23.944 ( -0.279 3.019 3.545) 4.665 24.006 ( -1.144 -0.499 -1.577) 2.011 24.058 ( 0.006 2.748 0.875) 2.884 24.367 ( 4.036 3.018 -2.484) 5.619 24.450 ( 0.059 -1.876 1.183) 2.219 24.688 ( -1.735 -3.439 1.751) 4.232 25.113 ( 2.580 7.115 4.250) 8.680 25.434 ( 3.887 4.420 4.254) 7.263 25.884 ( -6.164 -13.379 3.276) 15.091 26.553 ( -0.871 3.744 -0.126) 3.846 26.847 ( -4.493 -10.070 -2.621) 11.334 27.639 ( -2.546 -4.398 -0.099) 5.083 28.402 ( 5.434 9.910 -1.598) 11.415 28.859 ( -1.984 -4.141 -1.369) 4.792 30.435 ( -0.647 -1.295 -8.935) 9.052 ======================= Grid point 93 (27/68) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -2.670 4.778 -0.338) 5.484 2.963 ( 2.105 -4.249 -1.283) 4.912 4.027 ( -0.669 0.883 5.465) 5.576 4.399 ( -7.297 15.660 10.607) 20.273 4.769 ( -29.865 10.834 10.146) 33.350 4.823 ( 9.538 -5.986 6.661) 13.083 5.191 ( 20.674 19.984 9.557) 30.301 5.674 ( 2.500 -34.510 1.065) 34.617 5.928 ( -12.090 -2.582 -10.596) 16.282 6.180 ( 26.178 -2.535 -11.339) 28.641 6.206 ( 4.508 -5.377 -12.574) 14.400 6.358 ( 0.457 -20.975 -7.332) 22.224 6.997 ( -2.145 2.766 -2.344) 4.213 7.064 ( -2.864 -2.605 -3.174) 5.006 7.115 ( 3.353 -1.141 13.202) 13.669 7.437 ( -3.300 5.957 -13.868) 15.449 7.831 ( -2.968 8.821 -7.107) 11.710 7.924 ( 0.861 11.656 -4.126) 12.394 7.959 ( 7.355 20.921 13.412) 25.916 8.055 ( -29.135 -7.141 10.263) 31.704 8.213 ( -4.097 5.293 -0.105) 6.694 8.347 ( 4.714 11.379 -0.893) 12.349 8.450 ( 1.058 -3.004 -7.337) 7.998 8.553 ( 2.007 7.214 -0.646) 7.516 8.775 ( 0.533 -8.451 -0.936) 8.519 8.823 ( -8.352 -2.813 -4.130) 9.732 9.040 ( 9.191 -0.113 12.681) 15.662 9.072 ( -9.108 -0.443 12.347) 15.349 9.150 ( 11.464 2.047 14.068) 18.263 9.275 ( -2.364 -5.581 3.234) 6.869 9.327 ( 3.951 -12.842 5.120) 14.378 9.672 ( 5.398 -5.897 2.492) 8.375 9.721 ( 3.885 -6.437 1.382) 7.644 9.845 ( -1.668 1.867 3.565) 4.356 9.988 ( 4.952 -10.549 5.942) 13.081 10.394 ( 0.280 11.435 -1.930) 11.600 10.413 ( -7.098 1.735 -4.546) 8.606 10.549 ( -0.931 -1.586 -0.322) 1.867 10.637 ( 5.242 2.554 -5.642) 8.114 10.747 ( 0.044 -12.078 -5.315) 13.196 10.929 ( 0.873 6.414 3.847) 7.530 11.011 ( 1.522 -8.898 -3.114) 9.549 11.124 ( 5.205 -6.741 3.886) 9.361 11.201 ( 0.549 -4.190 -2.378) 4.849 11.337 ( -2.823 9.710 0.372) 10.119 11.592 ( 3.938 -2.138 8.779) 9.857 11.747 ( -7.333 -1.889 3.534) 8.357 11.937 ( 4.490 3.724 -0.359) 5.845 12.018 ( 3.983 -3.182 4.081) 6.530 12.118 ( 0.855 -2.134 0.126) 2.303 12.237 ( 5.597 -15.149 -0.541) 16.159 12.498 ( -10.472 8.608 -11.968) 18.083 12.570 ( 2.478 4.980 -8.392) 10.068 12.890 ( 3.432 -1.891 5.716) 6.930 12.923 ( -5.766 1.597 -7.990) 9.982 13.030 ( -1.055 1.770 2.220) 3.029 13.152 ( 8.414 -2.953 -0.924) 8.965 13.301 ( 3.482 -12.393 -4.816) 13.744 13.436 ( -1.709 7.963 -5.238) 9.683 13.467 ( -5.585 0.358 -5.219) 7.652 13.713 ( 0.058 2.534 6.553) 7.026 13.763 ( 2.523 -0.103 -10.346) 10.650 13.797 ( -0.413 -4.009 2.866) 4.945 13.998 ( 0.632 -3.530 -4.990) 6.145 14.246 ( -6.313 12.741 -2.669) 14.468 14.415 ( 1.966 6.211 4.776) 8.078 14.464 ( -4.982 -3.786 -2.169) 6.623 14.625 ( 1.724 2.354 -11.326) 11.696 14.668 ( -0.394 0.319 -11.554) 11.565 14.880 ( 3.454 6.072 -4.122) 8.111 14.928 ( -7.220 -3.522 -2.611) 8.447 15.088 ( 6.180 -7.628 0.293) 9.822 15.231 ( -3.016 18.459 7.992) 20.340 15.475 ( -7.981 -3.136 6.472) 10.743 15.546 ( -3.655 -2.909 1.118) 4.803 15.673 ( 8.158 -2.723 3.413) 9.253 15.798 ( -2.253 7.640 -0.098) 7.966 15.928 ( -2.203 0.076 7.827) 8.131 16.027 ( 2.944 -3.683 9.559) 10.659 16.118 ( 0.978 0.262 -9.550) 9.604 16.322 ( 1.771 4.767 -5.875) 7.771 16.412 ( -1.754 1.761 -0.341) 2.509 16.481 ( 0.158 -7.420 2.951) 7.987 16.671 ( -7.076 12.034 1.851) 14.082 16.929 ( 5.915 -1.906 5.713) 8.442 17.029 ( -8.635 3.615 -6.134) 11.192 17.126 ( 0.406 -1.658 -6.181) 6.413 17.299 ( -6.709 1.581 3.325) 7.653 17.358 ( 8.738 -6.225 15.121) 18.540 17.423 ( 3.968 -3.545 3.526) 6.383 17.627 ( 1.147 -0.561 4.179) 4.369 17.972 ( 1.141 16.069 1.107) 16.147 18.077 ( -8.695 -0.036 -5.291) 10.179 18.276 ( 5.019 -9.399 1.444) 10.752 18.394 ( -5.684 5.372 -6.568) 10.213 18.528 ( 2.417 0.125 0.330) 2.442 18.548 ( -3.973 -5.121 1.882) 6.749 18.621 ( 7.331 -4.863 3.165) 9.350 19.276 ( -0.592 0.245 -5.624) 5.661 19.411 ( -2.139 5.953 0.951) 6.397 19.461 ( -1.644 0.145 -3.110) 3.521 19.777 ( -1.310 3.700 4.431) 5.919 19.865 ( 1.518 -2.390 1.634) 3.269 20.230 ( 3.270 4.912 2.512) 6.414 20.296 ( -4.772 -0.014 0.583) 4.808 20.490 ( 5.940 -11.229 0.049) 12.703 21.082 ( -4.109 8.128 0.647) 9.130 21.288 ( 3.486 -6.894 -0.683) 7.755 21.519 ( -1.859 4.523 -2.367) 5.432 21.571 ( -3.016 0.372 1.862) 3.563 21.633 ( 5.457 -3.479 2.802) 7.053 22.005 ( -5.660 4.878 -0.895) 7.526 22.195 ( 3.000 1.855 3.074) 4.678 22.295 ( 3.965 -11.047 -0.408) 11.744 23.304 ( 0.218 5.219 -6.064) 8.004 23.378 ( -1.902 -2.941 -4.761) 5.911 23.898 ( -2.330 2.545 1.070) 3.613 23.944 ( 0.618 2.700 0.958) 2.931 24.014 ( 2.404 -5.086 1.282) 5.770 24.071 ( 0.513 0.105 -0.660) 0.843 24.424 ( -0.825 -0.236 -0.244) 0.892 24.431 ( -0.220 -0.893 -0.288) 0.964 24.641 ( 1.343 -1.505 -0.961) 2.234 25.194 ( -3.442 7.280 5.482) 9.741 25.550 ( -1.178 0.358 5.235) 5.378 25.675 ( 3.193 -5.796 4.721) 8.128 26.612 ( 0.103 3.081 -2.378) 3.894 26.718 ( 1.413 -4.895 -2.732) 5.781 27.595 ( 1.927 -3.328 -0.069) 3.846 28.519 ( -7.342 12.989 -1.630) 15.009 28.801 ( 5.062 -9.101 -1.605) 10.537 30.419 ( 0.416 -0.763 -7.231) 7.283 ======================= Grid point 98 (28/68) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -18.908 33.236 21.929) 44.080 2.195 ( -21.101 36.400 31.460) 52.535 3.173 ( -1.567 1.582 6.515) 6.886 3.383 ( 0.527 2.965 4.240) 5.201 3.867 ( -33.686 55.564 27.368) 70.506 4.388 ( 2.901 -5.087 15.199) 16.288 5.387 ( -9.130 10.274 -29.373) 32.430 5.590 ( -4.230 14.186 -36.507) 39.394 6.428 ( 0.143 -0.511 21.789) 21.796 6.673 ( 2.055 -2.044 8.756) 9.223 6.808 ( 22.974 -15.512 7.145) 28.627 6.983 ( -9.318 -1.880 0.557) 9.522 7.039 ( 0.241 -19.797 1.718) 19.873 7.259 ( 20.367 -16.581 -1.585) 26.311 7.497 ( 4.946 -11.247 -3.991) 12.918 7.629 ( 5.249 -13.736 -4.398) 15.348 7.805 ( -0.659 -14.622 -0.025) 14.637 7.997 ( 15.643 -14.130 0.820) 21.096 8.165 ( -2.077 -3.282 6.433) 7.514 8.291 ( 6.783 -20.767 -8.662) 23.501 8.474 ( 11.921 -5.896 -10.196) 16.758 8.584 ( 7.610 -9.719 9.013) 15.284 8.684 ( 5.855 -7.412 -3.337) 10.018 8.728 ( 3.641 -5.051 0.496) 6.246 8.885 ( 10.937 -6.573 -3.577) 13.252 9.048 ( 0.547 -3.657 0.941) 3.816 9.203 ( 5.550 -2.931 -0.238) 6.281 9.306 ( -3.693 -8.378 0.826) 9.193 9.323 ( 3.410 0.850 4.316) 5.566 9.584 ( 0.320 7.147 3.065) 7.783 9.645 ( -9.277 -4.162 -3.600) 10.786 9.770 ( -1.758 -5.855 -4.704) 7.713 10.077 ( 4.662 -9.641 -6.781) 12.676 10.280 ( -2.891 -15.131 -6.502) 16.721 10.301 ( 4.003 -5.359 -15.048) 16.468 10.389 ( 3.225 1.348 -0.143) 3.498 10.499 ( 6.837 11.645 8.546) 15.981 10.683 ( -1.968 -14.647 -1.993) 14.912 10.870 ( 7.648 5.642 2.544) 9.838 10.903 ( 0.169 -2.671 5.783) 6.372 11.137 ( -8.204 0.811 0.326) 8.251 11.144 ( -6.419 -4.396 -7.862) 11.061 11.215 ( 9.616 3.808 4.929) 11.457 11.302 ( 5.423 -0.220 -1.590) 5.655 11.572 ( 11.173 -2.127 -5.495) 12.632 11.600 ( -3.568 9.725 12.470) 16.211 11.721 ( 8.390 -7.245 -0.175) 11.087 12.058 ( -11.429 -7.096 1.314) 13.517 12.073 ( -0.630 3.586 4.192) 5.552 12.151 ( -0.019 11.761 12.219) 16.960 12.208 ( -0.479 -2.857 -2.718) 3.972 12.285 ( 5.890 16.787 -1.892) 17.890 12.501 ( -5.522 -2.145 -0.263) 5.930 12.638 ( -9.442 1.535 -0.666) 9.589 12.739 ( -0.941 4.259 -11.702) 12.489 12.870 ( 1.650 2.296 -6.399) 6.995 13.139 ( -4.162 -6.930 1.225) 8.176 13.269 ( -6.258 -4.312 -6.066) 9.724 13.429 ( 0.385 -2.972 1.880) 3.538 13.476 ( -4.239 6.418 0.361) 7.700 13.535 ( -12.674 1.084 11.093) 16.878 13.819 ( 6.853 -5.262 3.416) 9.291 13.860 ( 0.345 -2.781 1.216) 3.055 14.090 ( 10.118 2.547 9.602) 14.179 14.149 ( -22.676 -2.745 0.497) 22.847 14.211 ( 6.207 1.659 2.667) 6.956 14.293 ( -0.296 3.162 3.258) 4.549 14.432 ( -1.126 11.475 -5.028) 12.578 14.536 ( 3.857 -6.059 -1.195) 7.281 14.707 ( 7.216 14.247 -1.013) 16.002 14.811 ( 0.827 1.758 7.891) 8.127 14.932 ( 1.465 4.090 -5.711) 7.176 15.045 ( -3.135 -1.170 -8.572) 9.202 15.268 ( -7.702 -2.095 4.622) 9.224 15.290 ( 3.992 -1.737 4.753) 6.445 15.482 ( 2.237 14.253 -7.545) 16.282 15.626 ( -2.009 6.030 2.065) 6.683 15.718 ( -7.532 1.461 0.031) 7.673 15.863 ( -1.727 1.295 2.205) 3.086 15.914 ( -5.538 12.068 1.736) 13.391 16.296 ( 6.463 8.314 1.846) 10.691 16.437 ( 5.362 9.712 1.176) 11.156 16.446 ( -5.313 9.298 1.965) 10.888 16.497 ( 1.546 -11.649 1.394) 11.833 16.706 ( -1.744 4.355 -3.536) 5.875 16.848 ( -4.648 8.053 -12.858) 15.868 16.990 ( -9.990 2.668 2.618) 10.666 17.087 ( -14.208 -1.746 3.945) 14.849 17.257 ( -7.376 -5.494 -1.181) 9.273 17.388 ( 2.173 2.725 5.502) 6.513 17.562 ( 5.007 12.083 1.160) 13.131 17.686 ( 0.034 2.591 -9.962) 10.293 17.925 ( -3.481 -3.876 0.201) 5.213 18.071 ( -3.492 4.607 -0.271) 5.787 18.298 ( 1.965 2.449 -3.273) 4.535 18.340 ( -0.014 2.221 5.283) 5.731 18.513 ( -9.363 4.490 -4.704) 11.400 19.029 ( 1.963 -6.789 -4.701) 8.488 19.215 ( 2.173 -6.783 0.377) 7.133 19.348 ( 5.851 0.234 4.080) 7.137 19.528 ( -3.206 -2.570 -2.016) 4.576 19.626 ( 1.763 2.625 -0.035) 3.162 19.938 ( 0.298 0.521 2.850) 2.913 20.160 ( -5.652 8.311 1.408) 10.149 20.410 ( 5.446 -0.657 -5.062) 7.464 20.826 ( 3.561 -4.879 6.887) 9.160 21.000 ( 0.702 -6.814 1.526) 7.018 21.183 ( 5.330 8.166 -4.015) 10.546 21.328 ( -3.503 -1.383 -4.016) 5.506 21.434 ( -3.435 3.866 0.220) 5.177 21.556 ( -0.503 2.767 -0.326) 2.831 22.032 ( 0.046 -2.198 17.841) 17.976 22.277 ( 1.455 -0.002 4.370) 4.606 23.126 ( 6.988 -4.134 -7.660) 11.162 23.305 ( 3.493 -9.100 -7.628) 12.377 23.560 ( 2.787 -7.268 -4.358) 8.921 23.619 ( -2.952 3.190 2.593) 5.061 23.849 ( 0.126 1.835 -0.233) 1.854 24.025 ( -5.121 3.421 1.450) 6.327 24.172 ( -7.441 -0.429 2.750) 7.945 24.292 ( 2.221 8.180 -0.705) 8.506 24.339 ( -1.236 11.308 -3.594) 11.929 24.494 ( -1.146 1.459 3.888) 4.308 25.173 ( -0.277 -9.048 6.870) 11.364 25.428 ( 6.737 -11.537 12.329) 18.179 26.218 ( 1.235 -5.066 -7.676) 9.280 26.624 ( 4.861 -3.686 10.355) 12.018 27.330 ( 7.619 -13.652 2.518) 15.835 27.860 ( 3.233 -5.523 -0.144) 6.401 28.114 ( -3.468 5.484 -0.149) 6.490 28.890 ( -1.072 1.578 -0.486) 1.968 30.365 ( -5.503 8.614 -26.887) 28.765 ======================= Grid point 107 (29/68) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -13.198 14.918 5.942) 20.786 2.923 ( -16.209 15.399 5.578) 23.043 3.188 ( -12.761 13.874 14.347) 23.689 3.560 ( -14.733 17.183 10.413) 24.915 4.242 ( 3.355 -2.446 8.020) 9.031 5.173 ( -36.662 45.874 21.975) 62.701 5.717 ( -14.794 15.042 -18.909) 28.331 5.793 ( 0.017 5.402 -22.341) 22.984 6.117 ( 31.255 -11.879 -2.043) 33.498 6.365 ( 7.234 6.827 16.946) 19.649 6.613 ( 8.105 -26.219 0.136) 27.444 6.711 ( 3.729 -6.763 5.497) 9.480 6.872 ( -4.754 -21.117 1.703) 21.712 7.128 ( -7.295 -2.515 3.281) 8.385 7.255 ( 8.837 -10.801 -5.195) 14.891 7.421 ( 5.347 -9.044 -4.806) 11.554 7.568 ( 11.529 -3.290 1.449) 12.076 7.741 ( 1.308 -16.656 -0.349) 16.711 7.900 ( 9.020 -5.814 4.964) 11.824 8.047 ( 16.872 -1.441 -4.927) 17.635 8.283 ( 6.780 -1.279 -4.066) 8.008 8.415 ( 6.251 -4.336 1.298) 7.717 8.597 ( 7.156 -5.402 -9.374) 12.972 8.642 ( 7.373 -8.157 -1.923) 11.162 8.732 ( -10.673 1.612 1.461) 10.892 8.922 ( 5.189 -8.027 2.367) 9.847 9.070 ( 4.127 1.708 0.803) 4.538 9.240 ( 4.312 -1.745 4.434) 6.426 9.340 ( -4.517 -6.372 3.200) 8.440 9.584 ( 3.273 0.788 -2.775) 4.362 9.613 ( 14.353 -10.937 1.976) 18.153 9.688 ( -0.719 -2.517 -8.471) 8.866 9.922 ( 2.729 -7.000 1.622) 7.686 10.074 ( 1.246 -11.083 0.413) 11.161 10.260 ( 6.044 -2.526 -0.637) 6.582 10.346 ( 3.640 -13.639 1.042) 14.155 10.493 ( 7.287 -4.344 -1.381) 8.595 10.532 ( 2.871 5.826 5.497) 8.509 10.735 ( -1.336 -2.685 -2.040) 3.627 10.888 ( 18.863 -0.050 4.103) 19.304 10.958 ( 2.480 -4.215 3.967) 6.297 11.128 ( 2.744 -3.490 -2.881) 5.292 11.179 ( 1.873 2.462 -5.455) 6.271 11.303 ( -4.289 -1.925 -4.634) 6.601 11.449 ( -5.322 -2.989 4.801) 7.766 11.574 ( 0.134 -8.704 1.132) 8.778 11.780 ( 0.659 10.029 -0.566) 10.067 12.049 ( -2.288 -4.871 5.769) 7.889 12.117 ( -7.465 0.299 -0.518) 7.489 12.241 ( -7.552 2.007 -8.411) 11.481 12.289 ( -1.283 6.427 8.312) 10.585 12.405 ( -2.136 -3.085 7.400) 8.297 12.477 ( 0.916 -3.805 -0.747) 3.985 12.728 ( -4.328 -5.378 0.286) 6.909 12.812 ( 5.044 5.842 -5.942) 9.740 12.977 ( -1.018 6.262 -11.734) 13.339 13.052 ( -4.519 -5.184 -1.351) 7.008 13.329 ( -1.332 5.197 -5.585) 7.744 13.448 ( -6.021 7.540 -2.642) 10.004 13.580 ( 2.308 4.729 -0.916) 5.341 13.707 ( -6.651 -6.633 5.419) 10.844 13.816 ( 5.683 1.439 5.900) 8.317 13.876 ( -3.104 1.821 0.211) 3.605 14.084 ( -8.676 3.082 2.918) 9.658 14.143 ( 6.505 5.361 -0.610) 8.451 14.310 ( 4.876 -0.439 5.865) 7.639 14.425 ( -1.125 12.167 -14.112) 18.667 14.470 ( -10.255 -1.059 6.380) 12.124 14.499 ( -5.236 3.736 0.457) 6.449 14.793 ( -4.498 -6.966 5.419) 9.905 14.827 ( 6.864 14.800 -2.352) 16.483 14.973 ( -2.460 3.805 -5.770) 7.337 15.143 ( -6.918 -0.359 -3.401) 7.718 15.184 ( 4.498 -4.485 2.459) 6.812 15.375 ( -1.448 7.235 10.516) 12.846 15.540 ( 1.970 3.862 -5.760) 7.209 15.731 ( 0.409 0.537 -0.274) 0.728 15.775 ( -2.763 2.771 -2.712) 4.761 15.946 ( -6.600 -3.743 -3.311) 8.279 16.098 ( -6.149 4.882 -9.832) 12.582 16.213 ( 2.606 3.858 10.422) 11.414 16.401 ( 7.141 16.337 5.818) 18.755 16.555 ( -2.491 11.397 4.214) 12.404 16.667 ( -10.219 3.018 2.529) 10.951 16.743 ( -1.759 -1.456 -11.424) 11.650 17.000 ( 0.445 -5.573 6.558) 8.617 17.040 ( -5.150 3.046 1.350) 6.134 17.279 ( -3.552 5.392 -4.246) 7.727 17.343 ( -12.541 -8.722 8.322) 17.396 17.449 ( 0.811 1.533 -2.955) 3.427 17.497 ( 4.707 -0.693 1.269) 4.925 17.875 ( -2.075 16.485 -3.603) 17.001 17.953 ( -7.093 2.717 -3.337) 8.296 18.134 ( 5.738 2.704 1.130) 6.443 18.299 ( -5.444 -4.906 -1.275) 7.439 18.358 ( -6.127 0.636 3.538) 7.103 18.706 ( -2.926 -0.714 0.050) 3.012 18.875 ( 7.613 -9.281 -4.870) 12.954 19.172 ( -2.422 1.699 -0.679) 3.035 19.324 ( -2.363 5.196 3.213) 6.550 19.507 ( 3.693 -0.296 0.241) 3.713 19.638 ( -0.430 1.299 -0.521) 1.464 19.921 ( -0.505 -3.986 0.301) 4.029 20.268 ( 6.640 2.345 0.965) 7.108 20.297 ( 0.965 2.528 -5.901) 6.492 20.740 ( -0.143 -6.976 8.800) 11.231 20.962 ( -2.887 -3.574 1.434) 4.812 21.187 ( 3.610 8.556 -4.913) 10.506 21.321 ( -1.314 -5.596 -3.755) 6.866 21.533 ( 0.913 6.949 -0.953) 7.073 21.645 ( -8.115 0.776 -0.177) 8.154 22.044 ( -1.738 0.972 13.925) 14.066 22.231 ( 3.730 0.805 4.221) 5.690 22.869 ( 10.074 -11.630 -0.891) 15.412 23.219 ( 3.118 0.797 -11.289) 11.739 23.419 ( 4.581 -6.689 -3.799) 8.954 23.720 ( -5.358 -0.531 -0.767) 5.439 23.880 ( -0.350 3.813 1.134) 3.994 24.114 ( -1.254 0.952 3.152) 3.523 24.258 ( -1.724 3.744 5.783) 7.102 24.350 ( -2.346 5.012 -1.915) 5.856 24.425 ( 0.050 2.363 2.197) 3.227 24.566 ( -4.802 2.849 -0.874) 5.651 25.046 ( 3.088 -7.975 4.698) 9.758 25.362 ( -1.820 2.016 3.394) 4.347 26.117 ( 4.746 -8.687 -1.574) 10.023 26.512 ( 3.877 -0.274 4.027) 5.597 27.057 ( 8.415 -11.022 -0.788) 13.890 27.770 ( -0.862 -8.420 -0.174) 8.466 28.205 ( 3.001 11.865 -0.529) 12.250 28.926 ( -2.905 -1.437 -0.628) 3.301 30.446 ( -0.828 -0.245 -14.383) 14.409 ======================= Grid point 108 (30/68) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -5.001 22.983 7.475) 24.680 2.855 ( -7.762 15.241 3.188) 17.398 3.190 ( -6.067 20.047 14.406) 25.421 3.588 ( -5.944 21.839 9.899) 24.703 4.256 ( 1.240 -2.346 8.660) 9.057 5.179 ( -22.505 57.989 21.849) 65.928 5.544 ( -10.160 0.595 -13.488) 16.897 5.903 ( 0.915 14.551 -26.343) 30.109 6.170 ( 1.753 -32.723 6.742) 33.456 6.446 ( -4.898 -16.559 0.528) 17.276 6.496 ( 2.156 3.048 16.152) 16.578 6.803 ( 10.172 -1.638 -0.710) 10.327 6.879 ( 15.590 -12.749 -6.395) 21.130 7.021 ( 5.506 -5.421 6.145) 9.872 7.279 ( -0.771 -7.192 -3.303) 7.952 7.458 ( 9.366 -7.053 -12.555) 17.178 7.564 ( 11.712 -18.563 5.594) 22.651 7.735 ( 9.826 -10.660 0.221) 14.499 7.875 ( -9.005 0.757 0.941) 9.085 8.163 ( -0.469 -11.185 5.811) 12.613 8.226 ( 0.754 -14.492 -10.017) 17.633 8.346 ( -7.096 -8.933 6.021) 12.899 8.552 ( -0.183 -8.730 -1.601) 8.878 8.596 ( 6.100 -3.515 -2.545) 7.486 8.850 ( 7.290 -2.399 -4.544) 8.919 8.947 ( 2.070 -6.716 0.898) 7.085 9.046 ( -1.748 -8.468 -0.607) 8.667 9.237 ( -1.792 -2.302 4.458) 5.328 9.324 ( 7.223 -0.438 1.324) 7.356 9.468 ( -1.167 -13.171 5.014) 14.141 9.604 ( 1.653 -2.218 -3.145) 4.188 9.740 ( 1.652 -3.382 -6.005) 7.087 9.957 ( 6.818 -2.763 -0.144) 7.358 10.021 ( 4.791 -12.336 -4.070) 13.846 10.180 ( -5.145 -2.976 -3.798) 7.054 10.394 ( 3.855 0.032 -4.083) 5.615 10.488 ( -1.431 -4.625 -3.756) 6.127 10.660 ( -0.947 -2.495 5.461) 6.078 10.768 ( 7.430 -12.729 3.166) 15.075 10.807 ( -6.557 -0.403 7.149) 9.709 10.984 ( -8.488 -4.517 0.966) 9.664 11.083 ( 2.676 -10.307 -2.173) 10.868 11.207 ( 11.551 -1.564 5.140) 12.739 11.326 ( 3.696 0.050 5.201) 6.381 11.533 ( 1.772 -1.412 2.915) 3.692 11.643 ( 11.570 2.683 -3.092) 12.274 11.831 ( -0.384 2.386 -2.973) 3.831 11.973 ( 1.211 2.884 9.563) 10.062 12.117 ( -1.230 -1.821 -1.365) 2.587 12.234 ( 15.100 7.490 0.111) 16.856 12.362 ( -1.727 8.148 4.204) 9.330 12.440 ( 8.658 4.134 0.037) 9.595 12.447 ( -6.618 -1.619 -5.653) 8.853 12.673 ( 3.315 -0.919 2.000) 3.979 12.843 ( -6.643 0.473 -3.159) 7.371 12.912 ( -7.306 -2.428 -5.906) 9.703 13.111 ( 1.654 12.549 -9.022) 15.544 13.259 ( -11.480 3.412 -11.621) 16.688 13.388 ( 0.644 -0.748 -6.376) 6.452 13.602 ( -5.190 6.298 11.502) 14.103 13.661 ( 0.025 -6.096 -8.376) 10.360 13.711 ( -11.017 10.101 -6.995) 16.502 13.811 ( 0.931 -1.705 11.346) 11.512 13.983 ( -5.490 -7.758 -1.173) 9.577 14.213 ( -15.029 3.309 14.623) 21.228 14.252 ( -4.964 6.630 0.478) 8.296 14.364 ( 1.116 2.907 3.063) 4.367 14.434 ( 12.389 0.074 1.020) 12.431 14.703 ( -0.795 4.658 -2.308) 5.259 14.770 ( -0.003 0.043 -1.718) 1.719 14.956 ( 6.331 7.425 -6.779) 11.881 15.021 ( -3.339 -2.531 2.417) 4.837 15.148 ( 1.159 9.384 -0.417) 9.464 15.190 ( 0.014 0.364 -5.457) 5.469 15.378 ( 2.094 9.496 5.412) 11.129 15.633 ( -5.355 -6.661 4.851) 9.827 15.754 ( 7.363 7.076 -2.677) 10.556 15.810 ( -0.438 6.202 -0.382) 6.229 15.914 ( 0.354 8.339 2.055) 8.596 16.051 ( -5.984 4.882 1.174) 7.812 16.254 ( 0.641 -7.660 1.393) 7.812 16.480 ( 1.827 4.686 -5.260) 7.277 16.554 ( -8.263 2.228 7.000) 11.056 16.652 ( -3.129 5.528 -10.166) 11.988 16.783 ( 3.291 3.864 4.593) 6.845 16.896 ( -1.524 -5.668 3.557) 6.863 16.945 ( -10.594 5.093 -0.143) 11.755 17.084 ( -6.651 2.841 5.926) 9.351 17.220 ( -4.689 3.429 -1.347) 5.963 17.559 ( 5.257 5.343 -2.554) 7.919 17.705 ( 10.623 2.071 1.080) 10.877 17.813 ( -9.938 5.052 -1.456) 11.243 18.038 ( -3.847 16.323 -4.115) 17.268 18.107 ( -1.235 0.379 -2.031) 2.407 18.336 ( 7.215 1.891 -5.387) 9.200 18.367 ( 3.344 1.356 7.458) 8.285 18.580 ( -9.420 -0.493 -1.463) 9.546 18.890 ( 3.356 -6.518 -6.514) 9.807 19.096 ( -1.595 -3.554 1.336) 4.118 19.364 ( 0.909 0.860 3.252) 3.484 19.464 ( -6.677 -2.741 1.209) 7.318 19.668 ( 2.746 1.757 1.057) 3.427 19.909 ( 2.484 -2.466 -0.498) 3.536 20.309 ( -3.515 3.511 -7.451) 8.955 20.416 ( 5.150 2.734 4.181) 7.175 20.671 ( 4.019 -10.283 8.444) 13.899 20.938 ( 1.092 1.043 1.475) 2.111 21.268 ( 0.198 -3.366 -3.663) 4.978 21.362 ( 3.849 7.637 -5.218) 10.018 21.501 ( -5.218 1.025 0.284) 5.326 21.626 ( 1.025 5.834 -1.953) 6.237 22.001 ( -2.681 -1.295 15.823) 16.100 22.279 ( 0.501 0.382 4.772) 4.813 22.910 ( 8.255 -14.669 -0.392) 16.837 23.195 ( -2.124 -2.786 -9.153) 9.801 23.412 ( 0.206 -6.737 -7.205) 9.867 23.716 ( 3.515 4.210 -2.122) 5.881 23.926 ( -0.125 5.835 2.162) 6.224 24.026 ( -6.646 -1.898 2.455) 7.335 24.214 ( -4.351 3.337 4.152) 6.878 24.423 ( 3.557 4.951 1.090) 6.193 24.451 ( 0.024 0.189 4.631) 4.635 24.609 ( -0.319 9.016 -3.246) 9.588 24.936 ( -2.309 -10.013 3.475) 10.847 25.380 ( 0.232 2.950 3.576) 4.642 26.067 ( 1.340 -10.647 -2.524) 11.023 26.583 ( 3.714 -0.145 6.077) 7.124 27.040 ( 4.304 -14.303 -1.656) 15.028 27.770 ( 7.783 -3.483 -0.160) 8.528 28.200 ( -12.037 3.218 -0.543) 12.471 28.927 ( 2.530 1.897 -0.789) 3.259 30.439 ( 0.094 0.490 -14.495) 14.504 ======================= Grid point 116 (31/68) ======================= q-point: (-0.38 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.160 3.334 -0.302) 3.352 2.998 ( -1.693 -2.789 -1.949) 3.800 3.889 ( -21.476 19.633 11.820) 31.407 4.172 ( -8.788 14.565 13.228) 21.549 4.233 ( -20.047 19.206 9.793) 29.439 5.230 ( 36.989 -9.320 6.009) 38.615 5.313 ( 28.446 -13.429 9.490) 32.857 5.979 ( -7.890 10.837 -12.663) 18.440 6.189 ( -10.399 7.456 -15.572) 20.154 6.314 ( -14.658 -23.288 0.839) 27.530 6.678 ( -4.261 -4.921 4.190) 7.741 6.722 ( -2.219 -13.728 -4.709) 14.682 6.937 ( -15.690 18.033 1.761) 23.968 6.986 ( -0.604 -15.268 -1.681) 15.373 7.174 ( -10.061 3.897 4.135) 11.554 7.312 ( 0.952 -9.797 -6.523) 11.808 7.458 ( 3.587 5.690 2.186) 7.072 7.616 ( 9.906 10.689 -4.090) 15.137 7.722 ( -2.848 -2.736 9.480) 10.270 7.891 ( 17.815 1.098 1.283) 17.894 8.179 ( 6.669 1.574 -2.555) 7.313 8.195 ( 7.699 6.267 -4.968) 11.101 8.408 ( 8.212 -0.769 -1.386) 8.364 8.526 ( 1.571 1.579 -0.687) 2.331 8.740 ( 3.663 -2.491 2.755) 5.216 8.904 ( 4.791 -10.201 -2.150) 11.473 9.060 ( 19.773 2.456 -2.609) 20.095 9.112 ( -12.805 0.073 8.934) 15.614 9.304 ( 8.316 -3.530 10.346) 13.735 9.338 ( -3.727 -4.524 -0.991) 5.945 9.463 ( 10.397 -13.271 9.416) 19.310 9.537 ( 2.125 -3.022 -3.569) 5.137 9.787 ( -3.593 -0.153 -0.340) 3.613 10.021 ( 5.940 -9.853 -0.573) 11.519 10.039 ( -9.273 -10.710 -2.950) 14.470 10.280 ( -6.493 0.687 4.448) 7.900 10.467 ( 3.352 -2.702 -3.712) 5.685 10.516 ( 4.442 -2.118 0.951) 5.012 10.648 ( 3.606 3.415 7.279) 8.812 10.803 ( -6.948 -2.734 -7.425) 10.530 10.887 ( 5.041 2.339 -0.177) 5.560 11.018 ( 9.786 3.765 -4.150) 11.276 11.211 ( -0.545 3.105 2.234) 3.864 11.308 ( 0.914 -6.028 -2.026) 6.425 11.484 ( -9.862 -2.836 0.929) 10.304 11.658 ( -14.574 -12.972 3.076) 19.752 11.793 ( 6.297 8.670 -3.961) 11.425 11.995 ( -1.942 -13.819 4.781) 14.751 12.220 ( -11.614 -13.617 -5.176) 18.630 12.303 ( 0.851 -4.317 5.814) 7.291 12.335 ( -0.138 -6.995 6.016) 9.228 12.427 ( -6.611 -1.025 1.468) 6.849 12.614 ( -8.652 15.856 -11.614) 21.474 12.693 ( -2.494 -8.943 2.608) 9.644 12.781 ( 2.106 2.498 -11.539) 11.993 12.979 ( -0.236 2.193 0.005) 2.205 13.120 ( 4.080 8.807 -1.226) 9.783 13.345 ( 4.946 4.992 -3.279) 7.755 13.462 ( 8.632 -5.554 -0.755) 10.292 13.652 ( 5.752 2.675 -4.082) 7.544 13.762 ( -1.058 0.645 5.158) 5.305 13.817 ( -1.489 3.191 2.820) 4.511 13.845 ( -7.221 2.894 -1.734) 7.970 14.079 ( 7.665 9.288 -4.144) 12.735 14.188 ( 7.460 20.845 7.445) 23.358 14.340 ( -8.350 -12.305 -3.454) 15.266 14.495 ( -2.526 -5.351 -9.426) 11.130 14.587 ( -6.252 -0.997 -2.116) 6.675 14.684 ( 16.239 5.480 -7.293) 18.626 14.774 ( -9.551 14.655 8.841) 19.600 14.899 ( -7.504 4.513 -0.866) 8.799 14.999 ( 4.383 1.205 -0.103) 4.547 15.030 ( 6.620 -4.200 1.154) 7.924 15.239 ( 0.421 7.635 1.550) 7.802 15.417 ( 3.403 0.604 5.046) 6.116 15.576 ( -10.390 -1.736 -0.822) 10.566 15.720 ( -0.235 0.102 8.273) 8.277 15.836 ( -5.101 -5.547 -3.259) 8.211 15.968 ( -0.891 0.023 -10.046) 10.086 16.159 ( 0.071 -0.973 -0.123) 0.983 16.407 ( -5.799 10.406 -0.314) 11.916 16.509 ( 1.110 11.328 1.007) 11.426 16.584 ( 7.494 7.008 -9.051) 13.682 16.752 ( 2.015 -6.416 6.065) 9.056 16.844 ( -5.558 6.746 3.795) 9.529 16.887 ( 0.480 -0.799 3.753) 3.866 17.154 ( 0.432 -2.871 3.343) 4.428 17.320 ( 3.136 0.240 4.656) 5.619 17.342 ( -0.901 -8.914 10.761) 14.003 17.387 ( -2.779 -3.540 -6.607) 7.995 17.547 ( -6.446 2.125 -5.766) 8.906 18.004 ( -3.811 4.799 -6.510) 8.940 18.015 ( 6.669 3.532 1.657) 7.726 18.192 ( -5.940 6.165 0.637) 8.585 18.362 ( -8.716 -3.577 1.247) 9.504 18.515 ( -1.109 1.527 3.105) 3.633 18.616 ( 4.825 -6.894 -2.353) 8.737 18.645 ( 2.802 -4.324 1.785) 5.452 19.222 ( 4.029 5.713 2.409) 7.394 19.418 ( 4.427 1.067 -0.492) 4.580 19.507 ( -4.459 3.048 -1.001) 5.493 19.629 ( 0.170 -0.246 -2.320) 2.339 19.890 ( -1.412 -5.058 0.364) 5.264 20.188 ( 0.614 3.264 -1.952) 3.853 20.304 ( 0.698 0.871 -1.038) 1.524 20.685 ( -1.804 -8.926 7.124) 11.562 20.997 ( -2.601 -1.468 1.371) 3.286 21.204 ( 2.320 3.198 -5.843) 7.053 21.329 ( -3.411 1.611 -1.553) 4.080 21.545 ( 2.578 2.351 -1.272) 3.714 21.777 ( -5.246 -0.236 2.292) 5.730 22.056 ( 5.172 2.657 3.416) 6.744 22.222 ( -2.670 2.724 8.436) 9.258 22.631 ( 3.462 -9.072 1.512) 9.827 23.191 ( 3.216 3.566 -7.624) 9.010 23.297 ( 1.257 -5.226 -7.767) 9.445 23.772 ( -2.279 -1.981 -2.755) 4.088 23.928 ( -0.369 4.162 3.609) 5.521 24.121 ( 0.316 0.126 1.541) 1.578 24.274 ( 3.635 2.876 9.410) 10.490 24.426 ( -1.409 0.664 -0.659) 1.692 24.458 ( -4.152 -1.036 -1.761) 4.628 24.669 ( -5.243 -0.877 -1.387) 5.494 24.936 ( 6.913 2.767 0.611) 7.471 25.481 ( -7.685 3.779 5.126) 9.981 25.867 ( 9.904 -10.900 4.652) 15.445 26.533 ( -3.521 3.436 -2.830) 5.675 26.847 ( 5.100 -6.929 -1.486) 8.731 27.723 ( -3.974 -9.233 -0.223) 10.054 28.247 ( 7.740 15.242 -0.797) 17.113 28.955 ( -3.511 -4.262 -0.838) 5.585 30.436 ( -0.009 -1.593 -9.214) 9.350 ======================= Grid point 117 (32/68) ======================= q-point: (-0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.158 6.186 -0.933) 6.257 2.926 ( -1.812 -2.598 -2.855) 4.264 3.771 ( -18.205 28.082 13.222) 35.984 4.111 ( -18.043 36.856 11.225) 42.543 4.256 ( -2.443 8.181 10.547) 13.570 5.535 ( 10.515 -24.329 14.109) 30.025 5.571 ( -3.612 -18.807 4.874) 19.762 5.842 ( 11.709 -7.608 0.690) 13.981 6.142 ( -4.782 12.402 -19.993) 24.009 6.240 ( 24.478 -3.671 -7.469) 25.854 6.449 ( -6.977 -9.269 -1.203) 11.663 6.582 ( -3.980 1.739 7.370) 8.554 6.797 ( -5.391 4.965 0.141) 7.330 7.048 ( 4.030 4.247 2.022) 6.194 7.109 ( -0.944 5.997 -0.948) 6.144 7.204 ( 2.444 -17.125 -7.315) 18.782 7.475 ( -6.422 0.700 0.472) 6.477 7.628 ( -2.187 8.851 7.644) 11.898 7.976 ( 9.862 -4.877 3.705) 11.609 8.065 ( -2.632 -8.726 -10.075) 13.586 8.134 ( 0.595 12.988 -3.399) 13.439 8.438 ( -0.631 -5.478 -10.191) 11.587 8.489 ( 0.909 4.705 -0.953) 4.886 8.506 ( -0.470 -5.589 -6.679) 8.721 8.748 ( -5.966 -5.735 9.274) 12.430 8.854 ( 5.336 4.868 3.804) 8.163 8.958 ( 2.971 -10.522 4.762) 11.925 9.191 ( -0.635 -1.735 1.821) 2.594 9.253 ( 2.347 -5.736 3.600) 7.167 9.359 ( 1.520 -7.769 -0.076) 7.917 9.524 ( 6.032 -4.911 -2.168) 8.075 9.619 ( -2.674 -14.967 3.612) 15.627 9.813 ( 9.668 -3.277 7.097) 12.434 9.868 ( 4.216 -7.816 2.340) 9.184 10.049 ( 12.547 -8.307 0.962) 15.078 10.273 ( 8.335 1.050 0.829) 8.442 10.453 ( -1.806 -2.179 -8.210) 8.684 10.499 ( 1.060 -7.969 0.060) 8.040 10.724 ( -2.063 1.211 3.559) 4.288 10.823 ( 7.091 -5.669 -1.405) 9.187 10.944 ( 0.374 3.803 4.689) 6.048 11.078 ( -1.772 -5.287 -4.678) 7.278 11.137 ( -5.694 -1.759 -2.740) 6.559 11.317 ( 12.276 1.686 2.779) 12.699 11.357 ( -5.168 -3.069 5.236) 7.972 11.547 ( 6.094 1.895 1.873) 6.651 11.805 ( -4.226 -10.493 -5.705) 12.670 11.872 ( 3.605 -2.647 4.629) 6.436 12.082 ( 4.668 -3.076 1.207) 5.719 12.194 ( -4.741 -4.234 4.677) 7.891 12.248 ( 7.514 -4.905 -0.708) 9.001 12.436 ( 1.348 3.472 -6.679) 7.648 12.595 ( -3.307 0.929 0.903) 3.551 12.681 ( -5.524 15.544 -1.242) 16.543 12.892 ( 2.256 -2.924 -2.741) 4.599 12.942 ( 0.524 4.056 -4.520) 6.096 13.232 ( -1.781 6.182 -6.923) 9.450 13.427 ( -5.053 -2.560 -4.841) 7.451 13.444 ( -4.338 -6.483 -0.972) 7.861 13.643 ( 1.530 5.334 -6.822) 8.794 13.694 ( 1.952 -7.337 2.567) 8.014 13.792 ( -3.600 10.111 13.387) 17.159 13.991 ( 2.708 7.879 0.117) 8.332 14.060 ( -14.614 -1.647 -10.843) 18.271 14.183 ( -4.097 0.146 -6.802) 7.942 14.273 ( 3.219 7.803 3.703) 9.217 14.499 ( -3.456 -4.160 6.793) 8.683 14.683 ( -3.235 8.876 -12.044) 15.307 14.757 ( -10.275 7.323 4.395) 13.361 14.832 ( 0.927 16.294 4.171) 16.845 14.935 ( -2.852 -3.966 -7.990) 9.365 15.020 ( 3.627 -7.882 1.420) 8.792 15.085 ( 8.961 10.021 -1.775) 13.560 15.243 ( -3.876 1.281 -0.544) 4.118 15.449 ( -1.484 4.439 1.560) 4.934 15.566 ( 1.423 -9.575 5.252) 11.013 15.701 ( 0.625 0.526 5.528) 5.588 15.804 ( 9.457 8.492 4.410) 13.453 15.966 ( -0.524 0.663 -8.272) 8.315 16.144 ( 0.260 -3.539 -7.994) 8.746 16.358 ( -12.338 9.362 2.471) 15.684 16.537 ( -6.359 -1.553 -6.054) 8.917 16.660 ( -0.613 -0.611 -4.905) 4.981 16.707 ( -0.883 2.023 6.418) 6.787 16.856 ( -2.832 4.697 5.467) 7.744 16.877 ( 0.834 8.435 6.914) 10.938 17.113 ( -3.124 -0.548 2.006) 3.753 17.198 ( -5.217 -4.331 13.761) 15.341 17.381 ( -9.278 3.703 0.063) 9.990 17.436 ( 8.321 -3.341 -7.280) 11.550 17.519 ( 8.952 0.956 -0.053) 9.003 18.006 ( -1.586 4.529 2.805) 5.558 18.116 ( -1.736 1.581 2.042) 3.112 18.206 ( 6.303 1.827 -6.697) 9.376 18.241 ( -3.844 1.970 -0.717) 4.378 18.427 ( -7.963 6.243 -0.183) 10.120 18.599 ( 2.027 -7.507 0.648) 7.803 18.738 ( 7.064 -1.847 -2.725) 7.793 19.238 ( -9.652 3.533 -2.409) 10.557 19.409 ( -4.647 2.106 0.577) 5.134 19.502 ( 2.326 0.293 -0.718) 2.452 19.653 ( -0.288 0.412 2.165) 2.222 19.830 ( 2.564 -4.490 -1.161) 5.299 20.261 ( 5.805 -0.424 -0.999) 5.906 20.397 ( 5.501 5.263 0.124) 7.614 20.526 ( -2.656 -12.683 6.640) 14.561 20.977 ( -2.114 3.660 0.203) 4.231 21.210 ( 1.555 -4.897 -3.905) 6.454 21.381 ( 1.922 9.052 -2.177) 9.507 21.601 ( -3.930 -2.315 -1.681) 4.861 21.677 ( -0.948 3.893 0.606) 4.052 22.078 ( -5.870 3.045 10.904) 12.752 22.256 ( 3.139 1.746 4.080) 5.436 22.616 ( 8.401 -13.121 2.192) 15.734 23.210 ( -1.765 -0.549 -9.782) 9.955 23.320 ( 3.692 -3.866 -6.071) 8.089 23.728 ( -0.830 0.838 -2.865) 3.098 23.980 ( 0.476 5.360 2.815) 6.073 24.088 ( -2.774 -2.329 1.672) 3.990 24.296 ( -2.263 0.840 6.212) 6.664 24.416 ( 0.032 1.910 -0.445) 1.961 24.440 ( 0.389 -0.021 2.180) 2.214 24.642 ( 2.386 1.157 -0.922) 2.807 24.986 ( -5.493 2.830 0.505) 6.200 25.432 ( -1.786 5.381 4.081) 6.985 25.882 ( 5.940 -13.827 3.288) 15.404 26.550 ( 0.983 3.717 -0.247) 3.852 26.843 ( 4.208 -9.851 -2.745) 11.058 27.640 ( 2.542 -4.435 -0.053) 5.112 28.424 ( -5.741 9.541 -0.894) 11.171 28.873 ( 2.246 -3.614 -0.942) 4.358 30.424 ( 0.626 -1.404 -9.270) 9.397 ======================= Grid point 118 (33/68) ======================= q-point: (-0.12 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -3.371 -2.093 0.005) 3.968 2.970 ( 3.074 3.682 -2.310) 5.323 3.829 ( -7.468 26.600 10.448) 29.538 4.248 ( -10.018 25.887 6.525) 28.514 4.282 ( -6.056 18.366 16.502) 25.422 5.144 ( -3.484 -34.245 6.960) 35.119 5.268 ( -3.183 -27.994 9.460) 29.720 6.091 ( 7.101 4.834 -6.024) 10.492 6.189 ( -6.227 6.622 -15.418) 17.898 6.376 ( 5.157 6.464 -5.521) 9.942 6.587 ( 8.406 6.259 7.461) 12.865 6.736 ( 16.219 -2.110 -10.068) 19.206 6.877 ( 12.377 -5.194 4.195) 14.063 7.066 ( 0.489 -6.760 -4.782) 8.295 7.156 ( -9.979 34.415 4.578) 36.124 7.273 ( 14.058 -5.150 -7.007) 16.530 7.427 ( -2.168 3.213 -4.759) 6.138 7.605 ( -2.243 -4.858 3.344) 6.310 7.793 ( -11.580 -22.867 9.424) 27.309 7.938 ( 3.082 -11.613 -0.896) 12.049 8.083 ( -18.210 8.478 2.312) 20.220 8.317 ( -12.941 4.890 9.470) 16.765 8.392 ( 5.759 -2.711 -13.159) 14.618 8.574 ( -0.258 -13.845 2.968) 14.162 8.631 ( -0.435 -4.765 0.460) 4.807 8.789 ( -1.633 -9.303 1.755) 9.607 9.009 ( -1.234 7.951 -2.584) 8.451 9.105 ( -7.951 -8.781 -6.052) 13.302 9.250 ( 6.681 -1.625 11.913) 13.755 9.376 ( 7.378 -2.741 4.837) 9.238 9.518 ( 9.108 -9.905 1.262) 13.515 9.566 ( 2.191 -3.241 -0.824) 3.998 9.864 ( 4.749 -4.725 3.169) 7.411 9.908 ( 6.586 -0.660 3.097) 7.308 10.185 ( 4.942 -5.447 -3.414) 8.108 10.364 ( -1.403 -1.064 -3.649) 4.052 10.402 ( -0.013 0.843 -4.843) 4.916 10.467 ( 3.604 -8.684 1.809) 9.574 10.655 ( -4.457 1.009 0.038) 4.570 10.849 ( 1.630 -0.424 1.790) 2.457 10.914 ( -3.902 -4.258 -1.473) 5.961 10.935 ( -3.785 -0.056 0.230) 3.792 11.233 ( 7.054 2.598 0.561) 7.538 11.263 ( -3.294 -2.981 7.132) 8.402 11.594 ( 5.282 0.383 2.533) 5.871 11.675 ( 8.587 0.917 -1.689) 8.800 11.790 ( 10.554 1.406 -2.510) 10.939 11.975 ( 8.516 -6.902 2.673) 11.283 12.171 ( 5.428 8.779 9.411) 13.968 12.252 ( 15.713 -0.972 1.359) 15.801 12.368 ( 1.286 -4.455 -9.273) 10.368 12.483 ( 4.153 0.512 -2.571) 4.911 12.615 ( 3.262 6.560 -1.680) 7.517 12.690 ( -0.204 2.476 -2.387) 3.445 12.911 ( 0.538 3.418 1.729) 3.868 12.953 ( -10.316 3.895 -2.036) 11.213 13.073 ( -10.030 -4.142 -4.288) 11.668 13.362 ( -4.439 -3.747 -6.300) 8.569 13.370 ( 2.851 -2.956 -10.529) 11.302 13.546 ( -4.171 6.102 -9.150) 11.762 13.737 ( -6.220 2.294 2.914) 7.242 13.805 ( -8.243 5.309 1.465) 9.913 13.878 ( -7.731 -1.779 1.927) 8.164 14.035 ( 5.977 12.246 3.281) 14.016 14.262 ( -20.833 -3.179 13.108) 24.817 14.350 ( 14.748 -0.355 -3.501) 15.162 14.384 ( -9.188 9.004 -2.838) 13.173 14.507 ( 2.033 2.505 -4.417) 5.470 14.712 ( -1.986 -4.627 -10.770) 11.889 14.781 ( -5.962 6.654 4.416) 9.967 14.948 ( -0.905 -1.824 2.854) 3.506 15.021 ( -2.464 -2.350 0.559) 3.451 15.174 ( 0.431 -7.472 3.242) 8.156 15.268 ( -6.462 1.192 2.729) 7.115 15.376 ( 4.268 -4.949 -1.084) 6.625 15.619 ( 5.544 6.842 4.754) 10.007 15.812 ( -7.223 -7.138 -2.057) 10.361 15.844 ( 11.907 1.696 -1.271) 12.095 16.065 ( 0.364 -9.937 -7.160) 12.253 16.082 ( 2.894 6.992 5.297) 9.237 16.267 ( -8.443 14.865 -3.793) 17.511 16.534 ( -2.946 6.548 -3.348) 7.922 16.597 ( -2.421 -0.785 -3.952) 4.701 16.689 ( -3.454 -2.381 4.936) 6.478 16.851 ( -3.807 2.909 2.086) 5.226 16.937 ( -0.996 6.496 -1.088) 6.661 17.034 ( -6.900 0.650 3.347) 7.696 17.174 ( 3.915 8.043 8.942) 12.648 17.292 ( -0.567 2.899 6.786) 7.401 17.561 ( 9.387 -6.628 -4.648) 12.396 17.601 ( 1.743 -3.958 -3.975) 5.874 18.005 ( -2.220 3.265 4.868) 6.268 18.098 ( -0.893 -3.975 -4.115) 5.791 18.210 ( -3.249 7.662 -3.235) 8.929 18.338 ( 3.712 1.288 -0.162) 3.933 18.471 ( 4.943 2.500 4.396) 7.071 18.535 ( -3.127 -0.836 -2.581) 4.140 18.771 ( 1.491 -7.026 -2.137) 7.494 19.112 ( -5.775 6.359 0.839) 8.630 19.375 ( -2.516 1.392 2.830) 4.035 19.469 ( -5.018 2.614 -0.985) 5.743 19.682 ( 3.532 -1.190 -0.490) 3.759 19.877 ( 3.890 -0.317 -0.643) 3.955 20.300 ( -2.970 -3.224 -1.206) 4.547 20.354 ( 0.867 -9.003 -0.670) 9.069 20.607 ( 9.550 4.282 6.788) 12.474 20.988 ( 0.804 2.495 1.949) 3.267 21.208 ( 0.706 -1.866 -5.548) 5.896 21.426 ( -7.121 -3.665 -0.509) 8.025 21.502 ( 3.678 2.583 -1.704) 4.807 21.773 ( 2.370 5.905 -1.248) 6.484 21.986 ( -6.009 0.953 9.235) 11.059 22.284 ( -0.789 -0.665 6.348) 6.431 22.649 ( 6.875 -9.358 1.443) 11.702 23.169 ( -2.580 0.356 -5.168) 5.787 23.304 ( 0.957 -3.666 -10.777) 11.424 23.768 ( 3.007 1.286 -3.318) 4.659 23.971 ( -3.844 -1.837 4.371) 6.104 24.071 ( -0.474 5.509 2.172) 5.941 24.248 ( -3.653 0.353 5.451) 6.571 24.440 ( 0.183 -0.283 0.578) 0.669 24.485 ( 5.363 0.833 1.726) 5.695 24.720 ( 4.214 0.014 -1.937) 4.638 24.854 ( -9.847 2.480 -0.588) 10.171 25.503 ( 0.352 8.259 5.159) 9.744 25.821 ( 2.836 -11.608 2.803) 12.274 26.604 ( 1.597 0.439 0.819) 1.848 26.810 ( 2.334 -6.682 -3.449) 7.873 27.723 ( 10.014 -1.169 -0.210) 10.084 28.244 ( -17.087 1.168 -0.798) 17.145 28.956 ( 5.313 0.844 -0.941) 5.461 30.432 ( 1.225 -0.458 -9.283) 9.375 ======================= Grid point 124 (34/68) ======================= q-point: (-0.38 0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 2.186 5.670 -1.773) 6.330 2.922 ( -1.745 -4.590 -2.482) 5.502 4.006 ( 1.059 0.213 4.719) 4.841 4.572 ( 9.362 19.511 16.366) 27.133 4.780 ( 0.403 20.610 8.998) 22.492 5.020 ( 8.350 -5.341 13.481) 16.732 5.144 ( 7.548 0.741 5.873) 9.593 5.690 ( -21.945 -29.148 2.789) 36.592 6.100 ( -8.249 -10.275 -4.363) 13.880 6.324 ( 0.201 11.104 -9.274) 14.469 6.516 ( 5.383 -9.958 -1.072) 11.370 6.566 ( -10.340 -5.407 -1.852) 11.814 6.721 ( 6.287 0.366 3.298) 7.109 6.929 ( -7.828 -0.155 -6.853) 10.405 7.055 ( -2.309 -13.322 -14.186) 19.597 7.517 ( 3.188 5.215 -6.391) 8.844 7.692 ( 1.975 4.755 8.393) 9.847 7.754 ( 8.088 9.961 -8.173) 15.213 7.783 ( 3.680 3.162 9.129) 10.338 7.931 ( 5.234 10.954 -2.303) 12.357 8.121 ( -9.714 -6.861 -18.740) 22.194 8.420 ( 6.978 10.022 -5.596) 13.433 8.556 ( 3.786 7.781 6.679) 10.931 8.630 ( -2.819 2.139 -0.209) 3.545 8.731 ( 2.244 -0.216 0.866) 2.415 8.772 ( 11.020 3.955 12.400) 17.054 8.955 ( -6.822 -8.810 1.817) 11.290 9.085 ( -7.527 -5.104 14.898) 17.455 9.220 ( 10.648 0.001 14.704) 18.155 9.285 ( 3.664 3.355 -3.345) 5.989 9.372 ( -7.344 3.612 5.022) 9.602 9.447 ( 2.095 -5.898 -4.171) 7.522 9.720 ( -14.644 -14.041 4.089) 20.695 9.827 ( 2.394 -3.033 3.535) 5.237 9.895 ( -8.305 -4.608 -1.367) 9.596 10.321 ( -6.547 3.525 1.942) 7.685 10.353 ( 4.005 -5.543 -3.434) 7.653 10.461 ( 0.190 -4.881 -7.071) 8.594 10.749 ( 1.939 1.178 -1.786) 2.887 10.751 ( 0.646 4.787 -0.968) 4.927 10.979 ( -1.588 4.353 2.172) 5.118 11.031 ( 3.137 -2.636 -2.334) 4.716 11.110 ( -4.007 -7.974 0.578) 8.943 11.305 ( 2.945 2.583 2.598) 4.700 11.407 ( -10.017 -1.758 -0.018) 10.170 11.484 ( -0.153 -13.341 4.287) 14.013 11.755 ( -1.393 3.659 2.461) 4.624 11.921 ( -1.319 -9.752 1.422) 9.943 11.951 ( 2.289 3.581 -2.104) 4.743 12.127 ( -3.543 -4.929 1.905) 6.362 12.211 ( -5.206 -7.703 -1.024) 9.353 12.483 ( -0.111 1.361 -7.439) 7.563 12.668 ( -0.979 4.468 -6.684) 8.099 12.733 ( 7.260 2.125 -3.164) 8.200 12.943 ( -7.579 -5.961 -8.608) 12.925 13.034 ( 0.818 13.006 3.702) 13.547 13.222 ( 10.260 -3.084 6.804) 12.691 13.340 ( 0.839 5.193 -6.401) 8.285 13.446 ( 1.598 -1.194 -8.111) 8.353 13.537 ( -9.319 -9.636 11.107) 17.409 13.741 ( 5.050 6.843 -4.465) 9.605 13.950 ( 3.861 3.008 7.348) 8.829 13.997 ( -3.731 -0.896 4.139) 5.644 14.067 ( -2.516 -6.822 -4.777) 8.700 14.262 ( 8.157 10.972 -1.090) 13.715 14.461 ( 4.119 11.459 -8.816) 15.033 14.513 ( 1.415 -7.639 -7.447) 10.762 14.647 ( -1.152 4.352 -14.338) 15.028 14.766 ( 4.441 7.469 4.425) 9.751 14.911 ( 4.341 0.353 1.600) 4.640 14.936 ( -2.799 -4.332 -11.399) 12.511 14.997 ( -3.295 1.001 -0.384) 3.465 15.165 ( -2.625 7.686 10.918) 13.607 15.331 ( 9.324 3.572 2.889) 10.394 15.401 ( 0.696 2.897 0.211) 2.987 15.540 ( -2.978 -6.261 4.214) 8.113 15.715 ( 1.037 -0.742 7.725) 7.829 15.813 ( -8.077 8.293 7.298) 13.685 15.980 ( -2.571 0.148 -15.088) 15.306 16.033 ( 0.878 -14.511 3.250) 14.896 16.537 ( 9.640 3.516 -14.931) 18.117 16.611 ( -2.327 3.453 1.867) 4.563 16.634 ( 2.222 -1.416 -9.400) 9.763 16.734 ( 1.414 7.306 5.941) 9.522 16.873 ( -0.934 -3.092 3.295) 4.614 17.023 ( 0.726 5.065 10.955) 12.092 17.066 ( -1.340 -2.412 5.928) 6.539 17.162 ( 0.311 -6.461 15.102) 16.429 17.345 ( -3.635 0.036 -3.487) 5.037 17.429 ( 5.432 5.179 0.095) 7.506 17.531 ( -3.048 -2.636 -0.234) 4.037 18.078 ( -0.174 1.875 1.177) 2.221 18.083 ( -0.790 3.577 1.337) 3.899 18.150 ( -0.560 -4.491 -5.225) 6.913 18.392 ( -5.422 0.809 2.801) 6.156 18.431 ( 7.577 -3.021 -1.719) 8.336 18.513 ( -2.308 -3.927 -3.270) 5.607 18.742 ( -0.701 6.085 1.288) 6.260 19.324 ( 7.241 5.583 -3.325) 9.729 19.434 ( 2.419 0.783 -0.646) 2.623 19.500 ( -3.402 -3.321 -2.965) 5.603 19.649 ( 1.252 2.871 0.713) 3.212 19.773 ( -3.644 -6.053 -0.026) 7.065 20.269 ( -2.188 2.607 3.116) 4.615 20.325 ( 0.208 2.069 3.498) 4.069 20.482 ( -1.833 -8.543 0.698) 8.765 21.035 ( 1.932 3.708 -0.625) 4.227 21.148 ( -1.999 -4.391 -3.568) 6.000 21.464 ( -1.217 4.622 -0.762) 4.840 21.575 ( 5.336 3.375 -1.168) 6.421 21.715 ( -3.491 -5.251 1.102) 6.401 22.160 ( 7.772 7.073 5.072) 11.668 22.270 ( -3.367 1.692 6.884) 7.848 22.431 ( -5.155 -9.848 3.232) 11.576 23.233 ( 3.107 -0.486 -6.899) 7.582 23.252 ( -2.665 0.963 -8.695) 9.145 23.739 ( -0.500 -1.068 -3.233) 3.441 24.018 ( 0.586 4.002 3.002) 5.037 24.085 ( -0.010 -2.872 1.206) 3.115 24.306 ( 1.259 0.987 6.300) 6.500 24.436 ( -0.261 0.592 0.269) 0.700 24.441 ( 0.120 -0.516 0.129) 0.545 24.625 ( -2.465 -2.625 -1.162) 3.783 25.057 ( 4.681 6.296 0.979) 7.907 25.545 ( -0.829 1.469 5.022) 5.298 25.670 ( -2.038 -6.573 4.582) 8.268 26.607 ( 0.088 3.420 -2.560) 4.273 26.719 ( -1.480 -5.059 -2.625) 5.889 27.596 ( -1.909 -3.320 -0.038) 3.830 28.538 ( 7.603 12.977 -1.047) 15.077 28.819 ( -5.179 -8.807 -1.054) 10.272 30.408 ( -0.448 -0.867 -7.563) 7.626 ======================= Grid point 146 (35/68) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 0.000 50.671) 50.671 2.152 ( 0.000 -0.000 50.671) 50.671 3.400 ( 0.000 0.000 1.884) 1.884 3.400 ( 0.000 -0.000 1.884) 1.884 3.702 ( 0.000 0.000 83.024) 83.024 4.392 ( 0.000 0.000 -44.678) 44.678 4.392 ( 0.000 -0.000 -44.678) 44.678 4.848 ( 0.000 0.000 5.171) 5.171 6.694 ( 0.000 0.000 -2.900) 2.900 6.885 ( -0.000 0.000 12.849) 12.849 6.885 ( 0.000 -0.000 12.849) 12.849 7.207 ( 0.000 0.000 -44.849) 44.849 7.338 ( 0.000 0.000 -4.454) 4.454 7.338 ( -0.000 -0.000 -4.454) 4.454 7.950 ( 0.000 0.000 12.427) 12.427 7.950 ( -0.000 -0.000 12.427) 12.427 8.068 ( 0.000 0.000 -14.085) 14.085 8.393 ( 0.000 -0.000 8.314) 8.314 8.441 ( 0.000 0.000 -7.493) 7.493 8.441 ( 0.000 0.000 -7.493) 7.493 8.786 ( 0.000 0.000 3.665) 3.665 8.786 ( 0.000 -0.000 3.665) 3.665 8.847 ( -0.000 -0.000 -15.887) 15.887 9.074 ( 0.000 0.000 6.863) 6.863 9.074 ( -0.000 -0.000 6.863) 6.863 9.203 ( 0.000 0.000 -0.488) 0.488 9.213 ( -0.000 0.000 1.665) 1.665 9.213 ( 0.000 -0.000 1.665) 1.665 9.478 ( 0.000 0.000 -3.955) 3.955 9.478 ( 0.000 -0.000 -3.955) 3.955 9.627 ( 0.000 -0.000 5.004) 5.004 9.831 ( 0.000 0.000 -5.436) 5.436 10.126 ( -0.000 0.000 0.682) 0.682 10.126 ( 0.000 -0.000 0.682) 0.682 10.322 ( 0.000 0.000 0.023) 0.023 10.322 ( 0.000 -0.000 0.023) 0.023 10.704 ( 0.000 -0.000 -6.391) 6.391 10.718 ( 0.000 0.000 -8.318) 8.318 10.718 ( 0.000 -0.000 -8.318) 8.318 10.797 ( 0.000 0.000 -4.025) 4.025 10.970 ( -0.000 0.000 -9.971) 9.971 10.970 ( 0.000 -0.000 -9.971) 9.971 11.422 ( 0.000 0.000 5.205) 5.205 11.422 ( 0.000 -0.000 5.205) 5.205 11.553 ( -0.000 0.000 -0.608) 0.608 11.553 ( 0.000 -0.000 -0.608) 0.608 11.752 ( 0.000 0.000 5.300) 5.300 11.993 ( 0.000 0.000 15.318) 15.318 12.012 ( 0.000 0.000 2.294) 2.294 12.012 ( 0.000 -0.000 2.294) 2.294 12.229 ( -0.000 0.000 -3.151) 3.151 12.229 ( 0.000 -0.000 -3.151) 3.151 12.244 ( 0.000 -0.000 4.952) 4.952 12.661 ( 0.000 0.000 -8.189) 8.189 12.759 ( 0.000 0.000 -8.696) 8.696 12.759 ( 0.000 -0.000 -8.696) 8.696 13.063 ( -0.000 -0.000 -6.903) 6.903 13.369 ( 0.000 -0.000 1.949) 1.949 13.584 ( 0.000 0.000 16.908) 16.908 13.584 ( 0.000 0.000 16.908) 16.908 13.932 ( 0.000 0.000 -5.574) 5.574 13.976 ( 0.000 0.000 5.513) 5.513 13.976 ( 0.000 -0.000 5.513) 5.513 14.103 ( 0.000 0.000 4.830) 4.830 14.103 ( 0.000 -0.000 4.830) 4.830 14.250 ( 0.000 0.000 0.719) 0.719 14.250 ( 0.000 -0.000 0.719) 0.719 14.254 ( 0.000 0.000 13.076) 13.076 14.476 ( -0.000 0.000 13.623) 13.623 14.882 ( 0.000 0.000 -6.046) 6.046 14.882 ( 0.000 -0.000 -6.046) 6.046 14.904 ( 0.000 -0.000 0.312) 0.312 15.087 ( 0.000 0.000 -9.292) 9.292 15.087 ( 0.000 -0.000 -9.292) 9.292 15.385 ( 0.000 0.000 7.737) 7.737 15.396 ( 0.000 0.000 5.874) 5.874 15.602 ( 0.000 0.000 2.151) 2.151 15.602 ( 0.000 -0.000 2.151) 2.151 15.672 ( 0.000 0.000 0.153) 0.153 15.672 ( 0.000 -0.000 0.153) 0.153 15.711 ( 0.000 0.000 -2.543) 2.543 16.363 ( 0.000 0.000 1.707) 1.707 16.363 ( 0.000 -0.000 1.707) 1.707 16.543 ( 0.000 0.000 0.345) 0.345 16.543 ( -0.000 -0.000 0.345) 0.345 16.594 ( 0.000 -0.000 -20.122) 20.122 16.777 ( 0.000 0.000 -7.892) 7.892 16.998 ( 0.000 0.000 8.315) 8.315 16.998 ( 0.000 -0.000 8.315) 8.315 17.553 ( 0.000 0.000 -12.626) 12.626 17.553 ( 0.000 -0.000 -12.626) 12.626 17.654 ( 0.000 -0.000 4.383) 4.383 17.868 ( 0.000 0.000 2.711) 2.711 17.941 ( 0.000 0.000 -2.857) 2.857 17.941 ( -0.000 -0.000 -2.857) 2.857 18.446 ( 0.000 0.000 0.058) 0.058 18.446 ( 0.000 -0.000 0.058) 0.058 19.007 ( -0.000 0.000 -9.923) 9.923 19.310 ( 0.000 0.000 3.883) 3.883 19.457 ( -0.000 0.000 0.856) 0.856 19.565 ( 0.000 0.000 0.851) 0.851 19.565 ( 0.000 -0.000 0.851) 0.851 19.968 ( 0.000 0.000 2.390) 2.390 19.968 ( 0.000 -0.000 2.390) 2.390 20.633 ( 0.000 0.000 12.584) 12.584 21.022 ( -0.000 0.000 -7.338) 7.338 21.158 ( 0.000 0.000 2.410) 2.410 21.158 ( 0.000 -0.000 2.410) 2.410 21.301 ( 0.000 0.000 -2.008) 2.008 21.301 ( 0.000 -0.000 -2.008) 2.008 21.319 ( 0.000 0.000 0.214) 0.214 22.350 ( 0.000 0.000 3.595) 3.595 22.350 ( 0.000 -0.000 3.595) 3.595 23.047 ( 0.000 0.000 1.942) 1.942 23.570 ( 0.000 0.000 2.856) 2.856 23.653 ( 0.000 0.000 -3.084) 3.084 23.653 ( 0.000 -0.000 -3.084) 3.084 23.861 ( 0.000 0.000 -2.732) 2.732 23.893 ( 0.000 0.000 -0.308) 0.308 23.893 ( 0.000 -0.000 -0.308) 0.308 24.110 ( 0.000 0.000 0.889) 0.889 24.110 ( 0.000 -0.000 0.889) 0.889 24.512 ( -0.000 0.000 3.083) 3.083 25.259 ( 0.000 0.000 1.953) 1.953 26.051 ( 0.000 0.000 -4.484) 4.484 26.547 ( 0.000 -0.000 1.228) 1.228 27.296 ( 0.000 -0.000 -6.053) 6.053 27.958 ( -0.000 0.000 3.840) 3.840 27.985 ( 0.000 0.000 -0.245) 0.245 27.985 ( 0.000 -0.000 -0.245) 0.245 28.832 ( 0.000 0.000 -0.270) 0.270 28.832 ( -0.000 -0.000 -0.270) 0.270 ======================= Grid point 147 (36/68) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 10.435 16.501 41.254) 45.640 2.508 ( 24.622 8.872 45.627) 52.600 3.296 ( -6.195 -0.930 0.477) 6.283 3.437 ( 1.959 0.574 6.030) 6.367 3.950 ( 24.233 10.202 43.737) 51.032 4.478 ( 12.822 -3.217 -37.672) 39.924 4.627 ( 9.189 6.707 -21.737) 24.534 4.801 ( 1.567 7.846 9.500) 12.420 6.698 ( 0.556 0.149 -1.136) 1.274 6.829 ( -2.102 -6.058 15.090) 16.396 6.951 ( 0.719 -2.241 5.844) 6.300 7.035 ( -9.398 -4.557 -13.674) 17.206 7.300 ( -5.597 1.209 -2.597) 6.287 7.363 ( -7.658 -4.065 -14.086) 16.541 7.660 ( -2.545 -6.547 -12.876) 14.667 7.841 ( -18.237 -8.203 -7.909) 21.504 8.039 ( -16.229 7.152 6.922) 19.038 8.188 ( -5.172 -11.607 -4.257) 13.401 8.218 ( 0.405 -6.913 2.880) 7.500 8.304 ( -24.357 -15.431 0.882) 28.847 8.616 ( 0.067 -5.971 -1.665) 6.199 8.689 ( -23.820 -3.984 -0.934) 24.169 8.808 ( -7.302 -2.415 -3.895) 8.621 8.929 ( -11.062 -3.272 1.386) 11.618 9.029 ( -2.190 -7.377 -0.291) 7.701 9.090 ( -4.480 -2.957 -0.852) 5.435 9.219 ( -1.780 2.778 1.935) 3.826 9.317 ( 8.461 3.741 3.728) 9.974 9.365 ( -5.928 12.831 4.195) 14.743 9.614 ( 4.188 -4.454 0.044) 6.115 9.798 ( 9.679 -0.012 -1.395) 9.779 9.878 ( -9.325 -3.075 -0.606) 9.837 10.020 ( 3.944 3.575 5.329) 7.532 10.134 ( 1.750 -2.200 -3.277) 4.317 10.301 ( 1.582 -1.797 -2.177) 3.235 10.421 ( -1.802 1.980 -0.549) 2.733 10.578 ( -1.523 -5.162 -8.913) 10.412 10.622 ( -8.554 9.838 -2.889) 13.353 10.695 ( 7.412 -15.637 -0.453) 17.311 10.750 ( 4.410 -0.249 -5.131) 6.770 11.029 ( -5.804 -1.107 -6.873) 9.063 11.135 ( 7.080 4.842 -7.919) 11.674 11.273 ( -7.057 0.510 1.332) 7.199 11.335 ( -3.285 0.774 1.758) 3.805 11.583 ( -6.315 5.304 10.225) 13.136 11.642 ( 1.706 -0.459 -2.725) 3.247 11.801 ( -2.026 -5.510 0.787) 5.923 11.996 ( 10.132 1.690 2.497) 10.571 12.081 ( 2.316 -0.908 4.609) 5.237 12.123 ( 1.072 6.212 3.772) 7.346 12.150 ( 9.235 -0.715 4.983) 10.518 12.204 ( 2.880 -3.425 -4.827) 6.582 12.405 ( 4.070 -4.241 0.684) 5.918 12.645 ( 0.554 3.632 -6.117) 7.135 12.746 ( 2.872 5.443 -6.205) 8.740 12.856 ( -1.818 12.447 -8.565) 15.218 13.071 ( -1.032 -2.881 -9.606) 10.081 13.319 ( -8.826 1.679 17.799) 19.938 13.487 ( 2.116 -9.212 7.715) 12.200 13.653 ( -2.192 0.728 6.586) 6.979 13.737 ( 4.523 -10.622 4.385) 12.350 13.883 ( -5.766 0.316 -1.264) 5.912 13.930 ( -5.887 -6.152 2.354) 8.834 14.099 ( 1.318 -0.115 1.768) 2.208 14.159 ( -5.699 8.933 2.973) 11.005 14.200 ( 3.342 -2.425 -3.454) 5.383 14.268 ( 0.451 -2.580 4.038) 4.813 14.489 ( 7.886 12.972 9.414) 17.863 14.633 ( 8.454 2.926 9.485) 13.038 14.741 ( -16.536 -8.728 -0.663) 18.710 14.837 ( 3.562 0.944 -0.712) 3.753 14.920 ( -5.516 6.956 -4.125) 9.789 14.964 ( -4.507 6.990 -5.082) 9.747 15.088 ( 6.788 -6.986 -3.316) 10.290 15.295 ( 7.736 -9.032 -0.095) 11.893 15.415 ( -4.540 0.373 8.968) 10.058 15.579 ( 3.585 3.928 -4.386) 6.893 15.661 ( 7.092 -0.124 1.605) 7.273 15.813 ( 2.100 9.985 2.416) 10.486 15.841 ( 6.086 17.414 -1.324) 18.494 16.069 ( 22.824 -1.633 0.812) 22.897 16.349 ( -3.427 -3.707 4.839) 6.993 16.375 ( -4.131 -1.292 -2.796) 5.153 16.447 ( -0.911 -1.756 -5.622) 5.960 16.558 ( 3.231 0.425 0.397) 3.283 16.653 ( 4.736 2.090 -5.041) 7.225 16.852 ( 9.394 -4.690 -6.602) 12.402 17.064 ( 7.503 6.552 -0.903) 10.002 17.131 ( 11.942 8.034 7.181) 16.085 17.433 ( -3.987 -4.128 -5.029) 7.631 17.511 ( -6.326 4.883 -12.375) 14.731 17.670 ( -4.216 -0.463 2.187) 4.772 17.927 ( 2.880 0.160 1.823) 3.412 17.981 ( 5.137 5.002 -0.720) 7.206 18.110 ( 13.362 3.226 -4.309) 14.405 18.423 ( 0.731 -1.384 2.026) 2.561 18.470 ( -0.533 4.813 2.720) 5.555 19.014 ( -1.366 -0.628 -7.988) 8.128 19.270 ( -2.267 -0.461 -1.709) 2.876 19.376 ( -3.448 -6.034 1.407) 7.090 19.552 ( -2.243 2.969 0.828) 3.812 19.572 ( 0.840 -3.541 0.110) 3.641 19.949 ( -3.378 2.723 -0.095) 4.340 20.103 ( 9.157 4.379 3.312) 10.677 20.501 ( -7.685 -8.291 9.121) 14.525 20.905 ( -3.675 -1.355 -3.347) 5.152 21.107 ( -2.424 -4.077 2.324) 5.282 21.170 ( -2.882 3.441 2.263) 5.027 21.285 ( 2.327 -0.099 -1.498) 2.770 21.343 ( 2.505 -0.367 -1.585) 2.987 21.518 ( 7.007 7.947 -0.001) 10.595 22.318 ( -1.116 -2.729 5.576) 6.307 22.372 ( 0.658 1.226 6.109) 6.265 23.003 ( -3.457 -2.006 -2.332) 4.628 23.339 ( -10.977 -11.315 -3.575) 16.165 23.629 ( -5.742 2.502 -4.024) 7.444 23.747 ( 1.318 6.869 5.942) 9.177 23.841 ( -3.540 -0.497 -0.811) 3.665 23.919 ( 6.570 2.597 -0.870) 7.118 23.986 ( 10.037 -6.161 -4.086) 12.465 24.145 ( 6.987 -2.132 2.503) 7.722 24.227 ( 2.643 9.976 -0.882) 10.357 24.548 ( 2.680 2.919 2.443) 4.655 25.272 ( 1.201 0.963 2.147) 2.642 26.002 ( -7.965 -4.853 1.165) 9.400 26.251 ( -22.341 -12.760 -0.853) 25.742 26.924 ( -13.639 -7.686 4.332) 16.243 27.699 ( -15.593 -7.766 8.181) 19.245 27.969 ( -3.139 3.606 -0.492) 4.806 27.989 ( 2.858 -6.167 0.051) 6.797 28.856 ( 1.936 1.032 -0.424) 2.234 29.469 ( 32.084 19.165 -18.398) 41.655 ======================= Grid point 148 (37/68) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 7.116 12.966 17.952) 23.260 2.980 ( 13.229 5.593 20.348) 24.906 3.269 ( 8.273 8.240 13.321) 17.714 3.587 ( 14.254 9.054 16.797) 23.818 4.428 ( -0.730 1.366 1.894) 2.447 4.792 ( 20.459 3.165 -25.800) 33.079 4.796 ( 33.853 10.534 -15.311) 38.619 5.296 ( 27.413 18.690 27.193) 42.898 6.485 ( -24.539 -16.745 4.715) 30.080 6.615 ( -10.267 -16.654 11.860) 22.878 6.764 ( 0.801 -1.759 2.348) 3.041 6.997 ( -8.443 -7.456 0.817) 11.294 7.115 ( 0.976 3.150 -3.145) 4.557 7.245 ( -7.638 1.249 -4.234) 8.822 7.382 ( -24.076 -3.180 -5.143) 24.824 7.598 ( -10.088 -18.432 -10.080) 23.304 7.679 ( -11.731 -15.099 -8.757) 21.030 7.787 ( -21.792 10.280 -9.665) 25.961 7.996 ( -6.223 -4.825 -0.132) 7.875 8.207 ( 0.320 -8.313 0.681) 8.347 8.375 ( -11.964 6.005 3.342) 13.797 8.501 ( -6.345 -3.746 -7.085) 10.223 8.594 ( -7.261 -3.642 -2.269) 8.434 8.669 ( -14.596 -4.384 -1.490) 15.313 8.833 ( -11.126 -3.521 5.604) 12.946 9.013 ( 1.224 -10.288 -0.961) 10.405 9.124 ( -5.346 0.157 2.818) 6.045 9.342 ( -7.585 4.375 -0.606) 8.777 9.453 ( 2.034 4.030 3.859) 5.939 9.540 ( -1.766 -11.015 7.152) 13.251 9.724 ( -4.246 -13.674 -1.592) 14.407 9.892 ( -13.109 6.733 -2.027) 14.876 9.954 ( -2.425 -1.974 1.542) 3.487 10.157 ( 3.633 5.753 -6.321) 9.287 10.263 ( -3.682 2.406 0.217) 4.404 10.424 ( 2.759 -2.990 -5.861) 7.134 10.545 ( 1.152 -0.914 6.882) 7.037 10.619 ( 0.106 1.534 -0.277) 1.563 10.713 ( 1.476 -6.697 5.076) 8.532 10.844 ( 0.073 -0.906 -1.957) 2.158 11.021 ( 8.086 0.466 2.684) 8.533 11.138 ( -1.376 -1.312 -7.234) 7.479 11.177 ( -5.436 -9.585 0.960) 11.061 11.423 ( -11.739 5.365 3.085) 13.270 11.448 ( -13.453 -4.382 -4.838) 14.953 11.531 ( 11.533 7.671 -4.403) 14.534 11.775 ( 3.318 7.493 6.741) 10.611 11.879 ( -10.870 -11.171 -4.659) 16.268 12.152 ( -3.101 1.387 -2.069) 3.978 12.275 ( 8.525 -10.042 1.944) 13.315 12.297 ( 13.225 -1.018 -0.718) 13.283 12.337 ( 1.681 3.464 1.672) 4.198 12.435 ( 11.939 6.865 4.224) 14.405 12.738 ( 3.153 -1.366 1.146) 3.622 12.776 ( -4.469 1.217 0.883) 4.715 12.967 ( 2.297 9.131 -3.215) 9.950 13.015 ( -4.744 9.776 -8.460) 13.771 13.254 ( -5.676 -7.643 -2.486) 9.840 13.334 ( 1.454 0.115 -0.276) 1.485 13.645 ( 1.798 -17.698 3.024) 18.044 13.715 ( -10.227 3.748 5.905) 12.390 13.755 ( 3.651 -4.836 -3.410) 6.953 13.988 ( 5.630 9.512 2.141) 11.259 14.083 ( 1.156 3.274 7.396) 8.170 14.168 ( 0.626 -0.234 5.918) 5.956 14.187 ( -5.392 2.874 -6.546) 8.954 14.323 ( 5.545 -1.528 -1.578) 5.964 14.447 ( -2.180 1.803 -9.366) 9.784 14.586 ( 2.640 -11.904 10.367) 16.005 14.792 ( 7.010 1.032 7.074) 10.012 14.818 ( -13.120 10.360 1.502) 16.784 15.004 ( 4.501 0.264 -1.451) 4.736 15.072 ( 1.187 -3.571 -2.318) 4.420 15.224 ( 7.519 13.020 -3.984) 15.554 15.315 ( 4.132 5.950 -3.348) 7.980 15.493 ( 8.185 -1.556 5.792) 10.147 15.643 ( 1.400 8.939 3.860) 9.837 15.740 ( 2.283 -2.434 0.231) 3.346 15.932 ( 1.005 5.445 3.898) 6.772 16.049 ( 1.376 7.245 1.390) 7.504 16.114 ( -7.793 -2.237 -1.166) 8.191 16.306 ( 5.919 -3.463 -12.236) 14.027 16.428 ( 7.457 -2.566 -4.256) 8.961 16.557 ( 14.961 3.246 5.708) 16.339 16.609 ( 2.135 2.450 12.020) 12.451 16.856 ( 12.043 4.057 -1.308) 12.775 16.995 ( 12.791 -5.990 -4.371) 14.785 17.244 ( 1.686 -0.215 0.109) 1.703 17.390 ( 3.177 5.071 -5.640) 8.223 17.443 ( -5.389 3.255 -9.543) 11.432 17.498 ( 12.876 7.141 -1.056) 14.762 17.593 ( -0.756 5.570 0.389) 5.634 17.946 ( -0.171 -2.584 7.666) 8.091 18.124 ( 2.277 2.501 0.924) 3.506 18.304 ( 9.246 -0.717 -1.380) 9.376 18.499 ( 0.050 9.281 1.905) 9.475 18.578 ( 8.745 7.308 -1.134) 11.453 18.922 ( -6.789 -2.076 -6.065) 9.337 19.196 ( -4.266 -3.206 -0.187) 5.339 19.312 ( 1.617 -3.768 -0.149) 4.103 19.485 ( -5.028 1.268 -3.368) 6.183 19.584 ( 2.504 -2.808 1.922) 4.225 19.897 ( -3.766 0.628 -5.040) 6.323 20.269 ( 2.855 2.234 4.643) 5.890 20.345 ( -0.986 -4.365 8.944) 10.001 20.868 ( -1.010 -0.172 -0.908) 1.369 21.027 ( 0.537 -6.423 2.330) 6.854 21.149 ( -4.707 6.726 0.595) 8.231 21.350 ( -2.040 3.057 -2.502) 4.447 21.373 ( 6.524 -1.505 -1.058) 6.779 21.646 ( 2.042 4.450 0.971) 4.992 22.249 ( -2.997 -4.359 5.943) 7.956 22.400 ( 1.120 1.015 13.596) 13.680 22.917 ( -4.210 -1.285 -8.453) 9.531 23.034 ( -9.362 -12.156 -4.981) 16.132 23.501 ( -9.888 0.009 -4.983) 11.072 23.790 ( -2.373 2.079 -0.246) 3.164 23.854 ( 3.164 4.637 4.192) 7.006 24.065 ( 6.205 -4.826 -1.517) 8.006 24.088 ( 9.727 1.442 -0.509) 9.846 24.272 ( 9.638 -3.853 3.317) 10.897 24.360 ( 1.625 9.026 -2.167) 9.424 24.640 ( 1.648 5.883 2.999) 6.807 25.308 ( -2.428 -0.249 2.203) 3.287 25.504 ( -17.792 -11.199 6.590) 22.032 26.078 ( -1.086 -0.505 -6.821) 6.925 26.726 ( -7.320 -4.267 6.993) 10.986 27.303 ( -18.367 -10.119 3.061) 21.192 27.951 ( -6.029 8.546 -0.334) 10.464 27.970 ( 4.902 -10.640 -0.582) 11.730 28.911 ( 2.707 1.465 -0.674) 3.151 30.005 ( 14.552 8.815 -17.206) 24.197 ======================= Grid point 149 (38/68) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -2.663 1.770 3.014) 4.394 3.043 ( -0.754 1.326 0.933) 1.788 3.793 ( 27.614 14.144 19.482) 36.635 4.146 ( 28.569 22.428 20.597) 41.754 4.344 ( -3.250 -2.023 7.101) 8.067 5.145 ( 13.316 0.847 -23.793) 27.279 5.436 ( 19.846 4.695 -20.498) 28.914 5.701 ( -9.331 -8.960 16.331) 20.834 5.882 ( -14.506 -6.727 7.327) 17.589 6.531 ( 13.665 -10.988 9.585) 19.984 6.662 ( -3.596 -4.626 -4.416) 7.337 6.847 ( -0.117 0.497 2.370) 2.424 6.888 ( -18.154 2.782 2.163) 18.493 7.114 ( -3.207 -0.453 -4.076) 5.206 7.259 ( 1.984 -6.212 -2.528) 6.994 7.309 ( -1.243 -7.864 -1.226) 8.055 7.402 ( -10.859 10.210 -7.453) 16.665 7.617 ( -7.784 -0.472 3.678) 8.622 7.854 ( -2.409 -8.163 1.144) 8.587 8.057 ( -8.137 -4.987 4.704) 10.640 8.191 ( -11.056 5.448 2.601) 12.597 8.372 ( -8.966 -2.671 -2.900) 9.794 8.389 ( -11.404 -0.141 -7.602) 13.706 8.570 ( -4.973 -7.963 3.180) 9.913 8.679 ( 0.201 -0.160 -11.133) 11.136 8.935 ( -6.408 -9.303 1.653) 11.416 9.023 ( -1.605 -1.475 -3.174) 3.850 9.208 ( -6.888 7.495 -4.661) 11.196 9.387 ( -1.544 -10.917 11.276) 15.771 9.447 ( -2.280 -1.895 8.828) 9.313 9.599 ( 1.533 -0.649 3.058) 3.482 9.786 ( -3.725 4.022 -6.151) 8.240 9.837 ( -4.223 0.655 0.969) 4.382 10.199 ( -14.663 -5.773 6.566) 17.072 10.253 ( 0.907 -5.690 -5.580) 8.021 10.425 ( -1.869 15.438 -1.003) 15.583 10.483 ( -8.489 -7.501 15.078) 18.860 10.619 ( -0.063 -4.768 -6.691) 8.217 10.670 ( -2.420 2.538 1.735) 3.912 10.787 ( 1.622 -11.573 7.673) 13.980 10.866 ( -2.663 5.705 5.803) 8.562 10.996 ( -17.309 -1.790 -5.184) 18.157 11.173 ( 4.123 0.945 2.249) 4.791 11.264 ( 3.098 -3.669 -11.716) 12.662 11.495 ( 3.563 10.607 0.507) 11.201 11.621 ( -3.639 -6.782 -5.322) 9.357 11.845 ( 9.403 -4.791 0.803) 10.584 11.943 ( 10.637 7.871 -7.432) 15.177 12.070 ( -0.124 -8.883 -3.351) 9.495 12.252 ( 0.055 -1.696 -1.054) 1.997 12.347 ( 3.847 -5.711 5.334) 8.710 12.558 ( -5.726 2.975 -5.526) 8.495 12.629 ( 4.113 9.573 0.467) 10.429 12.666 ( 3.996 4.089 7.295) 9.269 12.809 ( 5.481 -1.859 -0.650) 5.824 12.988 ( -4.876 4.092 -0.747) 6.409 13.116 ( 4.688 3.971 -10.868) 12.484 13.214 ( -12.389 -0.806 3.164) 12.812 13.323 ( 7.989 4.652 -4.432) 10.252 13.478 ( -1.214 -10.375 -0.581) 10.462 13.668 ( 0.302 -1.905 1.448) 2.412 13.844 ( 9.399 -7.565 2.300) 12.283 13.988 ( -3.247 0.141 -2.667) 4.204 14.016 ( -2.602 3.220 4.822) 6.355 14.128 ( -7.165 -0.461 6.818) 9.901 14.300 ( 2.913 7.397 -3.531) 8.699 14.424 ( -3.992 -4.665 -7.504) 9.695 14.504 ( 13.622 2.520 -5.548) 14.923 14.624 ( 11.259 -5.996 5.296) 13.812 14.682 ( -7.676 3.733 -0.184) 8.537 14.818 ( -3.698 -0.949 1.669) 4.167 14.982 ( -5.309 -0.705 4.592) 7.055 15.072 ( 4.241 -4.149 0.025) 5.933 15.376 ( -4.775 9.450 2.405) 10.857 15.474 ( 11.207 0.133 -15.768) 19.345 15.588 ( -1.778 11.265 5.858) 12.821 15.704 ( 1.640 3.950 9.426) 10.351 15.853 ( 0.150 5.069 3.290) 6.045 15.975 ( -6.715 0.558 -0.315) 6.745 16.028 ( 14.834 -7.935 -2.673) 17.035 16.157 ( 0.095 13.695 -0.434) 13.702 16.320 ( 0.219 -4.727 -12.073) 12.967 16.592 ( 6.984 0.080 4.665) 8.399 16.713 ( 10.453 -0.376 13.102) 16.765 16.807 ( 9.242 1.054 3.280) 9.864 16.944 ( -2.484 -9.452 -7.380) 12.247 17.166 ( 6.312 3.730 2.910) 7.888 17.271 ( 5.117 3.928 -7.049) 9.555 17.391 ( -3.759 5.890 -1.940) 7.251 17.490 ( 2.240 2.901 4.721) 5.977 17.592 ( 0.647 5.770 -6.432) 8.665 17.830 ( 5.287 -0.389 -7.978) 9.579 17.880 ( -0.123 -4.161 9.478) 10.352 18.139 ( 4.645 0.964 8.512) 9.745 18.476 ( 5.852 2.539 -4.575) 7.850 18.568 ( -2.565 7.356 0.873) 7.839 18.722 ( -0.322 0.167 -1.233) 1.285 18.771 ( -7.695 -0.615 -1.370) 7.840 19.164 ( 3.400 1.704 0.328) 3.818 19.308 ( 0.354 -3.109 -2.029) 3.729 19.476 ( 2.372 3.168 -0.729) 4.024 19.577 ( -0.006 -3.035 -0.151) 3.039 19.865 ( 0.246 0.072 -4.430) 4.438 20.239 ( -1.887 -1.948 7.946) 8.396 20.332 ( -2.114 0.140 3.623) 4.196 20.852 ( -0.428 -0.695 0.462) 0.938 21.020 ( 5.387 -6.631 2.007) 8.776 21.158 ( -3.337 9.149 -1.247) 9.818 21.308 ( -4.402 1.456 -4.031) 6.144 21.473 ( 3.618 1.648 1.369) 4.204 21.743 ( 6.484 2.739 -0.368) 7.048 22.119 ( -6.334 -5.732 4.253) 9.543 22.420 ( 0.790 -0.723 14.909) 14.947 22.746 ( -7.622 -7.134 -1.029) 10.490 22.924 ( 2.448 -0.759 -12.157) 12.425 23.316 ( -10.411 -0.855 -6.389) 12.244 23.780 ( -1.063 1.574 -1.385) 2.351 23.939 ( 2.770 1.792 3.794) 5.028 24.119 ( 3.716 -1.384 1.710) 4.319 24.261 ( 8.466 -0.966 -0.200) 8.523 24.372 ( 6.001 -3.080 3.210) 7.470 24.450 ( 1.154 4.102 -0.993) 4.376 24.692 ( -3.144 6.352 1.933) 7.347 25.013 ( -11.221 -7.351 -1.196) 13.468 25.526 ( 7.727 5.236 6.139) 11.172 26.047 ( -3.540 -2.047 -3.554) 5.418 26.541 ( -7.187 -4.073 6.348) 10.419 26.948 ( -11.447 -6.461 -2.420) 13.366 27.934 ( -5.475 8.204 -0.104) 9.863 27.952 ( 4.708 -9.534 -1.000) 10.680 28.966 ( 1.956 0.919 -0.897) 2.340 30.208 ( 4.236 2.718 -11.506) 12.559 ======================= Grid point 150 (39/68) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.495 1.799 1.346) 2.301 3.034 ( -1.740 0.522 0.669) 1.936 4.141 ( -4.252 -0.421 8.373) 9.400 4.321 ( 0.376 -6.098 4.952) 7.865 4.774 ( 3.269 2.598 21.483) 21.885 5.048 ( 2.386 -0.871 11.259) 11.542 5.276 ( -1.578 -0.369 10.528) 10.652 5.775 ( 11.078 -2.277 -15.324) 19.046 5.912 ( 3.287 5.273 -15.295) 16.509 6.249 ( -3.759 -15.567 -11.993) 20.008 6.545 ( -4.388 -1.449 -8.916) 10.042 6.755 ( 1.866 5.696 -5.949) 8.445 7.067 ( -4.514 6.313 2.102) 8.041 7.137 ( 1.499 -8.378 5.361) 10.059 7.204 ( -1.641 -2.188 -5.216) 5.890 7.370 ( -3.307 -2.831 -5.959) 7.380 7.512 ( 4.939 3.897 10.026) 11.837 7.594 ( 10.977 14.488 8.797) 20.193 7.716 ( -15.598 -7.730 5.630) 18.296 7.938 ( 2.186 3.937 0.714) 4.559 8.106 ( 5.598 5.824 6.256) 10.217 8.252 ( 6.189 -6.428 2.856) 9.369 8.362 ( 1.951 -3.182 -7.472) 8.352 8.414 ( -3.209 11.908 -1.691) 12.449 8.643 ( -2.080 -2.496 -3.044) 4.453 8.664 ( -7.365 -9.438 -1.916) 12.124 8.986 ( -4.956 3.444 1.670) 6.262 9.164 ( -6.499 -6.835 4.990) 10.670 9.364 ( 5.245 1.817 4.678) 7.259 9.509 ( 5.626 10.494 -2.411) 12.149 9.624 ( -0.373 -0.446 12.866) 12.879 9.732 ( -4.839 0.721 3.644) 6.101 9.892 ( 3.323 6.761 -0.150) 7.536 10.005 ( 2.562 3.611 -2.366) 5.020 10.179 ( -8.875 -4.085 -3.858) 10.504 10.278 ( -1.192 -5.920 5.348) 8.066 10.395 ( -3.193 -4.303 2.281) 5.824 10.514 ( 0.617 -2.287 2.939) 3.775 10.675 ( -9.294 1.832 -0.817) 9.508 10.796 ( 5.595 8.564 -4.746) 11.277 10.900 ( 0.046 1.198 2.142) 2.454 10.972 ( 3.363 10.771 5.234) 12.439 11.224 ( 4.280 -2.666 -5.897) 7.759 11.323 ( 3.357 1.799 4.049) 5.559 11.488 ( 1.216 -11.763 -9.065) 14.900 11.651 ( 4.874 -2.071 0.272) 5.303 11.904 ( 0.721 -6.901 -2.485) 7.370 11.949 ( -0.878 3.943 -4.315) 5.911 12.165 ( 2.703 -1.272 -11.614) 11.992 12.245 ( 6.706 -6.091 -1.312) 9.154 12.419 ( 8.176 1.648 -5.060) 9.755 12.491 ( -6.196 -0.508 2.521) 6.708 12.648 ( -1.201 -0.003 0.951) 1.532 12.779 ( -2.273 7.499 2.813) 8.326 12.877 ( -8.514 7.002 -0.357) 11.029 12.970 ( -3.369 2.565 2.170) 4.758 12.979 ( -0.033 -4.571 4.998) 6.773 13.178 ( -4.042 -3.710 -10.745) 12.065 13.356 ( 0.494 3.427 -6.918) 7.736 13.440 ( -2.489 2.223 0.047) 3.338 13.654 ( 3.958 -10.412 6.220) 12.758 13.771 ( -9.883 -7.633 5.046) 13.468 13.943 ( -3.470 -0.865 2.624) 4.435 14.012 ( 13.154 -6.037 6.414) 15.831 14.285 ( -1.090 -5.972 -1.226) 6.194 14.309 ( 5.968 14.884 6.075) 17.147 14.405 ( -0.595 8.703 -9.857) 13.163 14.545 ( -7.948 5.780 -2.707) 10.193 14.611 ( 0.441 -11.721 -6.528) 13.423 14.711 ( 3.183 -12.262 -7.284) 14.614 14.809 ( 4.851 6.710 -0.912) 8.330 14.967 ( -0.951 4.632 -1.504) 4.962 15.114 ( 9.776 -4.772 7.085) 12.982 15.333 ( -4.359 7.380 2.820) 9.023 15.589 ( -6.794 1.321 8.471) 10.939 15.701 ( -2.296 -3.535 1.653) 4.528 15.757 ( 9.592 9.182 -11.113) 17.315 15.833 ( -3.214 1.383 5.306) 6.355 15.929 ( -2.075 1.284 -3.503) 4.269 16.180 ( 2.214 7.911 -0.144) 8.216 16.223 ( -2.937 -5.154 -2.367) 6.387 16.312 ( 9.388 -1.443 -8.444) 12.709 16.591 ( -5.678 -1.349 11.895) 13.250 16.718 ( -5.411 -11.688 -7.718) 15.015 16.876 ( -0.481 -1.389 3.686) 3.968 16.941 ( 9.247 -0.287 8.302) 12.431 17.193 ( -6.141 -3.695 6.557) 9.714 17.261 ( -4.737 3.156 -6.952) 8.985 17.435 ( -1.270 1.885 -5.306) 5.772 17.545 ( -5.450 -1.034 3.258) 6.433 17.686 ( 5.354 10.273 5.910) 13.005 17.815 ( 4.550 -3.767 -7.682) 9.690 17.911 ( 3.613 1.380 -3.679) 5.338 18.285 ( 5.442 -1.452 7.759) 9.588 18.438 ( -10.202 -5.657 2.010) 11.837 18.524 ( 1.038 -0.247 -2.157) 2.406 18.690 ( -3.655 4.360 3.163) 6.509 18.736 ( -0.061 2.831 -1.009) 3.006 19.184 ( -3.922 -1.456 2.635) 4.944 19.315 ( 2.755 1.289 -4.730) 5.624 19.437 ( -2.784 -8.468 3.526) 9.586 19.651 ( 2.998 7.442 -4.100) 9.010 19.887 ( 0.713 -0.844 -3.042) 3.236 20.235 ( 2.326 1.537 3.281) 4.305 20.311 ( 1.911 0.388 3.166) 3.718 20.837 ( -1.357 0.680 2.110) 2.599 21.040 ( 4.449 -7.222 0.337) 8.489 21.175 ( -6.744 8.793 0.341) 11.087 21.280 ( 2.005 0.068 -5.679) 6.023 21.532 ( 1.021 2.651 0.532) 2.890 21.849 ( -4.729 -2.209 1.179) 5.351 22.003 ( 6.291 0.241 2.770) 6.878 22.410 ( 0.171 -3.045 10.651) 11.079 22.631 ( 1.524 -3.680 0.478) 4.012 23.020 ( 6.329 3.379 -8.446) 11.082 23.146 ( -8.386 0.382 -7.722) 11.407 23.779 ( -1.239 1.928 -1.680) 2.842 23.986 ( 1.645 -0.346 3.190) 3.606 24.150 ( 0.005 -0.635 3.395) 3.454 24.284 ( -0.258 -6.048 3.383) 6.935 24.428 ( 1.878 0.445 0.108) 1.933 24.546 ( 5.381 3.195 -0.032) 6.259 24.638 ( -2.497 -4.089 -3.154) 5.737 24.878 ( -4.953 4.094 0.390) 6.438 25.702 ( 2.239 1.324 8.473) 8.863 25.871 ( -6.081 -3.533 2.352) 7.415 26.541 ( 7.488 4.790 -2.302) 9.182 26.778 ( -3.949 -2.426 -1.866) 4.996 27.929 ( -3.092 5.684 -0.097) 6.471 27.943 ( 3.257 -6.092 -1.040) 6.986 28.987 ( 0.069 -0.413 -0.939) 1.028 30.250 ( -0.303 0.109 -9.211) 9.217 ======================= Grid point 152 (40/68) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 5.266 3.941 1.986) 6.871 2.973 ( -5.941 -1.251 3.761) 7.142 3.745 ( -26.936 -11.349 18.709) 34.704 4.041 ( -19.921 -16.883 15.694) 30.466 4.463 ( -5.725 -2.101 12.527) 13.933 5.092 ( -8.246 -14.601 -20.043) 26.132 5.446 ( -14.691 -11.501 -20.674) 27.848 5.790 ( 16.755 4.264 8.765) 19.384 6.140 ( -2.443 0.592 5.863) 6.379 6.271 ( 18.495 12.224 7.295) 23.339 6.726 ( 14.262 7.316 -5.518) 16.952 6.783 ( -18.194 -11.356 14.285) 25.769 6.920 ( 14.264 -1.232 -3.544) 14.749 7.046 ( 2.534 2.529 3.560) 5.049 7.109 ( -2.523 1.559 0.672) 3.041 7.276 ( 3.667 8.688 -10.607) 14.192 7.587 ( 7.319 2.088 -3.646) 8.439 7.710 ( 2.745 6.270 -5.410) 8.724 7.915 ( -0.271 0.621 2.231) 2.332 8.024 ( 8.384 0.529 6.167) 10.421 8.228 ( 10.522 -5.369 1.285) 11.882 8.237 ( -3.755 7.189 3.914) 9.006 8.416 ( 5.801 15.158 -1.598) 16.309 8.611 ( 3.110 2.596 -18.768) 19.200 8.638 ( 8.667 13.089 -2.444) 15.888 8.893 ( 1.611 -2.008 1.995) 3.257 8.976 ( 20.862 10.779 2.812) 23.650 9.184 ( 3.441 10.174 3.995) 11.459 9.497 ( 1.969 -7.378 -2.810) 8.136 9.522 ( 2.673 -1.059 7.782) 8.296 9.648 ( -3.318 6.981 -0.599) 7.752 9.692 ( -5.065 8.087 7.055) 11.867 9.869 ( -1.885 -2.281 -2.561) 3.914 9.952 ( -2.018 -4.249 -2.888) 5.520 10.221 ( 1.020 -4.322 7.910) 9.072 10.357 ( 10.422 -1.232 1.665) 10.626 10.476 ( 9.510 6.176 0.381) 11.346 10.548 ( 1.613 6.077 5.094) 8.092 10.659 ( 7.111 3.617 4.014) 8.931 10.836 ( -1.295 -2.481 1.180) 3.037 10.991 ( 4.624 3.585 0.612) 5.883 11.098 ( -1.661 11.473 -2.623) 11.886 11.319 ( 6.015 6.666 -5.285) 10.419 11.386 ( 6.080 -13.082 -7.116) 16.085 11.438 ( 7.078 -3.011 4.052) 8.695 11.684 ( 6.667 -7.445 1.915) 10.175 11.798 ( -5.991 -4.399 -4.642) 8.763 11.967 ( -7.839 3.292 -8.802) 12.238 12.147 ( -0.271 2.828 -4.807) 5.584 12.269 ( -0.249 -9.401 -4.533) 10.440 12.376 ( -1.128 2.644 -0.824) 2.990 12.479 ( -7.687 -12.915 3.235) 15.374 12.638 ( 7.706 -4.201 -0.070) 8.777 12.739 ( -6.221 4.678 -2.164) 8.079 12.788 ( -7.687 6.018 1.152) 9.830 12.846 ( -8.798 8.941 3.422) 13.002 12.989 ( -4.715 2.075 2.080) 5.556 13.139 ( 1.969 -6.942 -5.112) 8.843 13.350 ( -0.733 1.718 -0.560) 1.950 13.423 ( 1.064 1.015 -1.599) 2.172 13.610 ( 5.166 -13.182 3.045) 14.482 13.714 ( -0.767 9.898 -2.495) 10.237 13.888 ( -2.102 2.468 7.230) 7.923 14.050 ( 2.400 -9.655 7.243) 12.306 14.217 ( -12.309 2.401 2.528) 12.793 14.285 ( 4.336 -6.827 4.119) 9.076 14.486 ( 1.272 -7.137 -12.668) 14.596 14.525 ( -0.471 1.243 -3.533) 3.774 14.606 ( -0.423 9.139 -3.499) 9.795 14.718 ( 1.499 3.541 6.807) 7.818 14.934 ( 2.024 0.774 -1.050) 2.408 14.977 ( 1.949 2.258 -2.654) 3.993 15.206 ( -2.739 -1.169 -2.229) 3.720 15.392 ( -8.247 -5.581 8.669) 13.203 15.406 ( 5.898 -0.377 -3.815) 7.034 15.645 ( -4.997 1.039 1.191) 5.241 15.761 ( 0.366 -9.335 -9.874) 13.593 15.813 ( -4.854 6.427 1.782) 8.249 15.967 ( 1.538 4.047 -5.574) 7.058 16.140 ( -2.961 -0.145 1.318) 3.244 16.302 ( -12.983 0.899 -2.281) 13.212 16.365 ( -2.415 10.452 10.925) 15.311 16.470 ( 10.282 -10.996 -5.995) 16.204 16.564 ( 0.561 -9.118 -5.113) 10.469 16.811 ( -2.842 -4.487 3.361) 6.285 16.949 ( -12.845 -1.813 7.532) 15.000 16.989 ( -1.267 -5.367 9.809) 11.253 17.170 ( -7.841 -3.416 -0.814) 8.592 17.405 ( -6.761 -7.153 8.368) 12.919 17.435 ( 1.193 2.444 -11.412) 11.731 17.714 ( -3.963 1.508 -3.810) 5.700 17.885 ( -5.714 -5.119 -9.120) 11.917 17.983 ( 2.249 0.360 -1.001) 2.488 18.120 ( -5.493 -1.989 9.229) 10.923 18.395 ( 2.283 -5.443 4.569) 7.464 18.562 ( 0.447 2.970 0.352) 3.024 18.623 ( -8.979 2.439 3.372) 9.897 18.754 ( -0.082 3.672 -5.401) 6.531 19.134 ( -0.601 3.337 2.298) 4.096 19.337 ( 1.272 -4.272 -3.073) 5.414 19.359 ( 2.654 -4.009 1.912) 5.174 19.719 ( -2.118 3.809 -2.574) 5.061 19.872 ( 0.602 -0.547 -3.080) 3.186 20.256 ( 0.279 -1.530 3.530) 3.858 20.442 ( 6.250 2.916 0.319) 6.904 20.831 ( -0.273 2.793 3.343) 4.365 21.017 ( -0.024 -4.425 2.433) 5.049 21.163 ( -1.443 4.592 -3.965) 6.237 21.325 ( 2.164 -0.502 -2.974) 3.712 21.531 ( -5.217 -0.375 -1.820) 5.538 21.680 ( -4.956 -1.944 1.406) 5.506 22.210 ( 8.418 5.260 7.832) 12.644 22.377 ( 0.089 -2.935 9.715) 10.149 22.728 ( 11.813 -0.652 -1.905) 11.984 23.023 ( -4.233 0.082 -13.479) 14.128 23.215 ( 8.140 7.245 -2.337) 11.145 23.775 ( -1.837 2.543 -1.377) 3.426 23.988 ( 0.235 -2.048 2.320) 3.103 24.072 ( -6.962 -1.494 3.956) 8.146 24.215 ( -2.409 -3.795 0.467) 4.519 24.448 ( -1.175 -1.393 -1.564) 2.401 24.458 ( -0.572 -13.265 -0.782) 13.300 24.757 ( -1.219 7.829 8.013) 11.269 24.876 ( 6.380 7.177 -2.665) 9.965 25.528 ( -7.808 -5.143 5.993) 11.105 25.954 ( 5.395 3.058 -0.666) 6.237 26.727 ( 1.506 0.819 4.839) 5.134 26.858 ( 16.292 9.853 -4.022) 19.460 27.939 ( -6.180 12.071 -0.244) 13.564 27.944 ( 7.475 -11.864 -0.827) 14.047 28.961 ( -1.777 -1.600 -0.754) 2.508 30.201 ( -4.709 -2.353 -11.214) 12.388 ======================= Grid point 153 (41/68) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -20.103 -3.773 21.205) 29.462 2.886 ( -4.164 -4.642 17.525) 18.602 3.259 ( -12.162 -2.602 14.991) 19.478 3.590 ( -11.879 -8.291 13.942) 20.106 4.455 ( -4.687 1.331 4.852) 6.876 4.741 ( -10.605 -18.562 -27.657) 34.956 4.779 ( -26.600 -22.715 -10.487) 36.517 5.362 ( -31.112 -14.415 21.773) 40.618 6.538 ( 20.255 2.702 7.649) 21.819 6.710 ( 11.654 7.785 0.733) 14.034 6.810 ( 18.483 6.962 6.779) 20.882 6.919 ( 5.449 -1.257 4.075) 6.919 7.108 ( 4.091 4.227 4.890) 7.649 7.248 ( 11.990 10.148 -5.415) 16.616 7.306 ( 13.684 10.926 -3.586) 17.874 7.477 ( 8.412 4.602 -8.319) 12.695 7.617 ( -7.378 9.074 -17.127) 20.739 7.863 ( 18.483 7.333 -10.083) 22.294 8.040 ( 6.467 1.577 -1.027) 6.735 8.161 ( 10.477 8.430 1.593) 13.541 8.311 ( 14.223 2.055 2.139) 14.529 8.532 ( 7.662 2.915 -0.943) 8.251 8.630 ( 10.921 7.176 -0.613) 13.082 8.801 ( 6.654 16.048 -10.485) 20.291 8.947 ( 5.967 16.556 0.797) 17.617 8.954 ( 8.393 -2.292 1.683) 8.861 9.247 ( 4.344 1.170 -3.838) 5.913 9.325 ( -2.916 4.210 7.647) 9.203 9.410 ( 2.496 -4.027 0.841) 4.812 9.511 ( -8.086 -3.374 9.712) 13.081 9.627 ( 2.220 -2.293 -1.010) 3.347 9.798 ( 5.697 6.423 1.424) 8.702 9.948 ( 7.872 12.390 -0.927) 14.709 9.997 ( -0.819 3.749 -7.062) 8.037 10.093 ( 1.222 -1.581 3.093) 3.683 10.450 ( 2.758 -1.215 4.191) 5.162 10.636 ( -1.192 -13.461 -0.338) 13.518 10.675 ( 4.325 2.608 13.451) 14.368 10.734 ( 10.957 3.348 -3.006) 11.845 10.898 ( 3.887 0.217 -5.498) 6.737 11.067 ( 1.586 0.407 -3.895) 4.225 11.140 ( -0.875 2.048 1.464) 2.666 11.259 ( -6.281 -14.214 -10.425) 18.713 11.548 ( -3.170 7.508 -5.769) 9.985 11.588 ( -3.213 13.215 -1.189) 13.652 11.642 ( -2.356 -0.902 -3.163) 4.046 11.753 ( 11.954 -4.017 -0.399) 12.617 11.858 ( 7.505 -5.801 7.347) 11.998 12.130 ( -7.161 2.897 -0.814) 7.767 12.136 ( -1.382 -9.334 -3.143) 9.946 12.260 ( -3.368 -3.284 3.119) 5.644 12.353 ( 0.938 -13.456 -3.320) 13.891 12.607 ( -5.809 -1.062 -0.403) 5.919 12.650 ( -13.652 11.743 2.200) 18.142 12.730 ( -6.405 -0.300 1.481) 6.581 12.837 ( 1.254 6.200 -2.785) 6.912 12.979 ( -1.805 -6.766 -4.710) 8.440 13.134 ( 8.012 7.999 7.018) 13.320 13.413 ( 1.461 -5.652 -0.642) 5.873 13.456 ( 10.268 2.124 8.743) 13.653 13.648 ( 1.064 3.382 3.303) 4.846 13.809 ( -2.764 3.095 3.638) 5.518 13.823 ( 3.973 -1.500 5.588) 7.018 14.099 ( -0.503 2.922 1.476) 3.312 14.126 ( 5.950 1.692 -2.945) 6.851 14.319 ( 7.623 -6.004 2.428) 10.003 14.394 ( -6.358 -6.774 -10.161) 13.768 14.537 ( -9.798 3.118 3.522) 10.869 14.576 ( 4.360 2.693 -5.712) 7.674 14.708 ( -10.769 4.121 7.223) 13.606 14.927 ( -0.706 0.319 -3.276) 3.367 15.008 ( -3.849 6.807 -0.099) 7.820 15.108 ( -3.006 -7.113 1.557) 7.878 15.196 ( -4.773 -4.111 1.366) 6.446 15.453 ( -0.474 -10.743 3.999) 11.473 15.495 ( -1.015 -3.885 -6.195) 7.382 15.702 ( -15.164 -0.176 -0.323) 15.168 15.788 ( -6.125 0.078 2.884) 6.770 15.893 ( -6.425 2.686 -2.778) 7.498 16.029 ( -8.884 -3.196 0.937) 9.488 16.228 ( 10.601 3.361 -7.668) 13.508 16.396 ( -1.379 -2.575 -1.160) 3.142 16.439 ( -2.554 -3.678 0.329) 4.490 16.583 ( 3.040 -11.122 -4.230) 12.282 16.671 ( -10.278 -1.883 2.092) 10.656 16.707 ( -4.236 -3.998 2.461) 6.323 16.993 ( -3.455 -1.447 2.259) 4.374 17.020 ( -2.071 2.473 7.069) 7.770 17.154 ( -7.386 -17.507 4.352) 19.493 17.411 ( -4.277 -3.261 -12.223) 13.354 17.584 ( -6.175 2.454 -2.679) 7.165 17.774 ( -3.039 2.529 -3.183) 5.076 17.916 ( -3.150 -2.650 7.538) 8.589 18.117 ( -2.343 0.052 1.420) 2.740 18.264 ( -7.073 -7.509 -2.813) 10.693 18.488 ( -7.525 -0.888 5.764) 9.520 18.556 ( -4.082 2.841 0.993) 5.071 18.861 ( 6.511 5.149 -5.308) 9.853 19.213 ( 3.215 4.075 1.195) 5.326 19.312 ( 2.113 -4.080 -6.239) 7.748 19.420 ( 5.770 -0.767 1.158) 5.934 19.678 ( -3.555 0.140 -0.148) 3.561 19.920 ( 2.299 3.105 -4.589) 5.999 20.217 ( -3.334 -2.181 6.051) 7.245 20.485 ( 0.495 -2.382 2.407) 3.423 20.885 ( 1.180 1.897 -0.474) 2.284 21.013 ( 3.304 1.348 3.940) 5.316 21.189 ( 1.322 -0.010 -4.234) 4.435 21.319 ( -5.784 1.878 -0.114) 6.082 21.392 ( -2.006 -4.799 -1.703) 5.473 21.643 ( -3.622 2.260 0.866) 4.357 22.320 ( 1.890 -0.422 4.947) 5.312 22.368 ( 0.373 0.038 14.089) 14.094 22.978 ( 6.120 -0.246 -9.944) 11.679 23.016 ( 11.113 4.148 -6.140) 13.357 23.439 ( 7.901 8.490 -2.012) 11.770 23.766 ( -2.555 3.321 0.367) 4.206 23.920 ( -6.628 -2.544 4.201) 8.249 23.969 ( -1.058 -1.478 0.814) 1.992 24.110 ( -4.122 -5.531 -1.662) 7.095 24.270 ( -2.050 -14.730 0.118) 14.872 24.419 ( -4.842 0.381 -2.092) 5.289 24.653 ( -9.762 1.744 2.576) 10.246 25.210 ( 9.588 6.530 6.122) 13.116 25.518 ( 14.373 7.336 6.417) 17.366 26.045 ( 3.080 1.861 -5.496) 6.569 26.781 ( 3.584 2.011 4.658) 6.211 27.293 ( 19.386 11.809 3.446) 22.960 27.951 ( -1.858 4.511 -0.724) 4.932 27.966 ( 4.068 -4.469 -0.153) 6.045 28.904 ( -2.463 -1.820 -0.488) 3.101 29.998 ( -14.754 -8.026 -16.827) 23.775 ======================= Grid point 154 (42/68) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -20.313 -1.512 42.105) 46.773 2.503 ( -19.196 -16.322 44.798) 51.398 3.293 ( 4.572 5.366 0.556) 7.071 3.446 ( -2.200 -1.892 5.840) 6.521 3.931 ( -19.899 -15.258 43.005) 49.781 4.465 ( -4.031 -11.199 -37.274) 39.128 4.629 ( -7.135 -4.068 -18.683) 20.409 4.827 ( -11.652 -0.214 6.682) 13.434 6.670 ( 2.515 0.952 2.620) 3.755 6.869 ( 3.371 -4.096 7.198) 8.941 6.934 ( -1.697 -0.477 10.098) 10.251 7.096 ( 7.994 2.490 -14.395) 16.653 7.299 ( 1.468 7.799 -3.828) 8.811 7.395 ( -2.748 -0.945 -25.736) 25.900 7.632 ( 23.093 1.798 10.127) 25.280 7.748 ( 19.080 16.653 -6.758) 26.211 7.890 ( 10.783 17.371 -3.697) 20.777 8.100 ( 6.005 1.119 2.111) 6.463 8.380 ( 22.321 3.047 -0.003) 22.528 8.488 ( 6.433 -1.570 -1.795) 6.861 8.591 ( -0.418 4.213 -1.387) 4.455 8.599 ( 17.511 13.424 -3.783) 22.386 8.918 ( 6.143 9.303 -0.156) 11.149 9.005 ( 3.770 1.874 -1.533) 4.481 9.046 ( 3.051 -1.576 -2.090) 4.020 9.115 ( -3.728 12.065 -1.399) 12.705 9.182 ( -2.832 -7.418 4.560) 9.156 9.324 ( -5.200 1.599 -0.257) 5.446 9.378 ( -0.592 5.928 -0.013) 5.957 9.440 ( 9.821 -1.785 2.917) 10.399 9.643 ( -4.116 -5.655 5.545) 8.926 9.894 ( 8.050 3.803 7.511) 11.648 10.022 ( 7.607 3.715 -5.082) 9.874 10.219 ( -1.245 -3.420 -2.229) 4.268 10.275 ( 2.067 9.258 -3.420) 10.083 10.405 ( -0.614 -5.184 4.105) 6.641 10.530 ( 1.186 1.219 -2.739) 3.224 10.609 ( -6.093 -6.146 -8.070) 11.834 10.814 ( -0.883 -5.412 -1.836) 5.783 10.899 ( 4.375 0.114 -7.002) 8.258 10.982 ( -6.185 -8.774 -6.882) 12.752 11.090 ( -1.492 -0.030 -12.454) 12.543 11.240 ( 7.623 3.980 5.860) 10.406 11.397 ( -11.847 12.657 -0.861) 17.358 11.566 ( -0.156 -0.614 2.344) 2.428 11.699 ( -2.074 1.943 1.407) 3.171 11.861 ( 1.496 -13.394 5.914) 14.718 11.969 ( -1.238 -0.464 -0.936) 1.620 12.032 ( 1.233 0.499 6.425) 6.562 12.083 ( -4.706 -0.454 1.844) 5.075 12.191 ( -1.697 -4.066 -0.724) 4.465 12.224 ( -0.719 -11.691 0.746) 11.736 12.441 ( -3.937 -5.024 3.353) 7.209 12.583 ( -1.003 8.577 -5.098) 10.028 12.706 ( -3.943 1.854 -5.466) 6.990 12.818 ( -2.804 11.230 -7.949) 14.041 13.006 ( 5.673 -2.458 -6.225) 8.773 13.323 ( 1.652 4.196 15.185) 15.841 13.545 ( 7.458 -2.262 7.239) 10.637 13.569 ( 2.302 5.145 6.790) 8.824 13.755 ( 20.473 -3.529 8.809) 22.566 13.894 ( 1.727 6.243 4.535) 7.907 13.929 ( 7.853 -1.838 6.636) 10.444 14.064 ( -5.392 5.514 -3.376) 8.419 14.132 ( -2.418 -7.681 -5.280) 9.629 14.161 ( -7.058 -2.836 -2.760) 8.092 14.395 ( -8.566 -4.022 8.945) 13.022 14.435 ( -4.248 10.591 6.392) 13.079 14.696 ( 6.288 3.509 -2.361) 7.578 14.698 ( -6.422 2.639 -0.766) 6.985 14.836 ( 2.398 -9.159 -2.006) 9.678 14.902 ( -3.392 3.131 -2.929) 5.467 15.074 ( -1.255 13.767 -1.601) 13.917 15.172 ( 7.707 -9.937 3.413) 13.030 15.228 ( -11.778 -10.415 2.729) 15.958 15.460 ( 2.774 -8.989 -0.730) 9.436 15.552 ( -0.285 8.497 -0.958) 8.555 15.643 ( -7.944 -1.755 0.571) 8.155 15.737 ( -11.061 -2.478 -3.186) 11.775 15.847 ( -12.110 -1.513 5.217) 13.272 16.141 ( -14.129 -15.789 -0.263) 21.190 16.383 ( -0.089 -1.320 -0.094) 1.327 16.412 ( -0.370 -2.934 2.985) 4.201 16.479 ( -2.102 1.044 -2.287) 3.277 16.589 ( 2.149 -1.631 -12.109) 12.406 16.642 ( -5.830 -0.868 -5.053) 7.764 16.843 ( 2.450 -15.960 1.552) 16.221 16.970 ( -3.541 4.720 2.945) 6.595 17.007 ( -1.390 1.474 2.630) 3.320 17.433 ( 4.233 2.241 -9.032) 10.224 17.550 ( -2.495 4.239 -4.838) 6.899 17.733 ( -3.920 0.665 1.884) 4.400 17.894 ( 0.973 1.146 0.431) 1.564 17.992 ( -7.882 -5.285 1.803) 9.660 18.079 ( -6.025 -7.131 -5.520) 10.845 18.401 ( 0.252 -0.050 5.406) 5.412 18.498 ( -4.142 0.720 -0.071) 4.205 19.002 ( 2.907 1.870 -7.494) 8.253 19.261 ( 1.939 1.452 -1.569) 2.886 19.385 ( 6.067 0.715 -0.409) 6.123 19.502 ( 3.230 1.144 1.456) 3.723 19.623 ( -2.323 -1.067 0.167) 2.562 19.969 ( -1.543 3.955 -0.654) 4.295 20.081 ( -6.864 -5.359 4.537) 9.819 20.534 ( 7.254 0.513 7.565) 10.493 20.914 ( 2.350 2.179 -3.865) 5.021 21.112 ( 4.192 1.572 2.737) 5.247 21.196 ( -3.169 1.344 1.810) 3.890 21.241 ( 1.095 -0.672 -1.759) 2.178 21.354 ( -0.997 -2.427 -1.206) 2.887 21.524 ( -10.805 -2.346 -0.426) 11.065 22.332 ( 1.633 -1.609 4.244) 4.824 22.365 ( -1.057 0.735 7.322) 7.435 23.018 ( 1.886 1.049 -2.976) 3.676 23.338 ( 15.911 4.023 -4.054) 16.905 23.613 ( 1.896 6.809 -3.211) 7.763 23.740 ( -5.330 3.577 5.933) 8.740 23.838 ( 1.217 -0.518 0.417) 1.387 23.920 ( -3.404 -2.062 0.125) 3.982 23.980 ( -1.871 -9.103 -5.759) 10.934 24.124 ( -1.280 -6.536 2.576) 7.141 24.268 ( -11.203 -1.073 -1.565) 11.363 24.542 ( -3.414 -0.426 2.577) 4.299 25.264 ( -0.330 0.067 2.451) 2.474 25.999 ( 8.684 4.755 1.881) 10.077 26.244 ( 22.985 13.403 -0.842) 26.621 26.931 ( 12.548 7.431 3.950) 15.109 27.703 ( 14.539 9.801 8.292) 19.396 27.966 ( -0.208 2.197 -0.595) 2.286 27.987 ( 2.658 -3.305 0.117) 4.242 28.852 ( -1.675 -1.107 -0.300) 2.030 29.468 ( -32.368 -18.028 -18.265) 41.308 ======================= Grid point 156 (43/68) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 6.966 15.463 23.116) 28.671 2.827 ( 13.389 18.234 28.561) 36.435 3.293 ( 2.908 4.838 8.553) 10.247 3.490 ( 3.804 6.195 14.670) 16.373 4.402 ( 17.637 30.883 11.590) 37.405 4.558 ( 1.796 9.594 -14.912) 17.823 4.589 ( 6.853 1.467 -18.509) 19.791 5.203 ( 11.834 25.549 10.329) 29.992 6.566 ( -7.420 -14.895 10.975) 19.934 6.749 ( -3.105 -2.245 2.044) 4.343 6.776 ( -17.627 -10.836 5.358) 21.374 6.944 ( -1.643 -13.757 1.834) 13.975 7.159 ( -7.543 -10.469 2.342) 13.114 7.319 ( -3.627 -2.500 -9.070) 10.083 7.489 ( 2.668 -10.848 -19.323) 22.320 7.534 ( -3.975 -17.681 -2.713) 18.324 7.837 ( -16.047 -19.903 1.514) 25.611 7.914 ( 3.525 -2.473 -17.756) 18.270 8.036 ( -4.831 -5.972 5.896) 9.684 8.265 ( -10.622 -5.382 -3.012) 12.283 8.414 ( 3.130 -19.210 0.183) 19.464 8.531 ( -5.370 -10.580 -2.716) 12.172 8.709 ( -9.361 -7.590 -0.329) 12.056 8.821 ( -7.507 -4.628 2.193) 9.088 8.960 ( -15.795 5.289 0.253) 16.659 9.072 ( -6.666 -3.768 -6.753) 10.210 9.249 ( 0.094 -5.623 2.162) 6.025 9.321 ( 5.135 -0.921 0.528) 5.244 9.406 ( 4.884 -4.144 4.371) 7.755 9.518 ( 0.410 -5.827 -2.796) 6.476 9.702 ( -5.814 12.364 8.240) 15.955 9.837 ( 10.510 -9.634 -2.201) 14.426 10.027 ( 1.635 -7.296 -1.748) 7.679 10.134 ( -1.649 -3.017 1.665) 3.820 10.280 ( 3.797 -15.374 -9.865) 18.658 10.382 ( -6.687 8.228 -1.099) 10.659 10.468 ( 1.990 -3.544 5.813) 7.093 10.629 ( -0.282 9.001 7.447) 11.686 10.725 ( -2.709 -0.451 1.258) 3.021 10.881 ( -2.514 4.302 -5.054) 7.097 10.942 ( -0.785 -2.985 -6.174) 6.903 11.083 ( -2.816 -8.639 1.704) 9.245 11.331 ( -16.664 -0.772 -2.449) 16.861 11.370 ( 10.939 8.007 -3.764) 14.069 11.604 ( -6.065 -1.532 4.464) 7.685 11.699 ( -8.143 3.831 -1.452) 9.116 11.805 ( 3.781 -2.225 4.769) 6.480 11.863 ( 1.204 -2.952 -7.911) 8.529 12.015 ( 3.413 -3.880 0.206) 5.171 12.147 ( 3.682 -1.951 2.638) 4.932 12.251 ( 4.578 1.021 1.128) 4.825 12.310 ( 4.109 7.371 5.462) 10.052 12.453 ( -4.671 11.688 -3.736) 13.130 12.674 ( -1.905 1.149 -0.616) 2.308 12.867 ( -0.375 5.387 -4.866) 7.269 12.908 ( 4.966 -3.033 -8.131) 9.999 13.055 ( 15.992 2.028 -3.606) 16.519 13.261 ( -2.065 -11.045 13.541) 17.595 13.342 ( -1.741 -10.004 -1.347) 10.243 13.409 ( -7.301 -1.184 6.633) 9.935 13.711 ( 0.736 -3.108 4.324) 5.375 13.840 ( -4.004 -6.016 4.686) 8.613 13.893 ( 11.489 6.397 12.044) 17.832 14.111 ( -1.290 -0.077 2.761) 3.049 14.124 ( -1.096 1.111 -10.449) 10.565 14.321 ( 1.696 5.300 -10.290) 11.698 14.357 ( 0.666 -14.328 4.573) 15.055 14.496 ( -12.476 -9.657 -1.784) 15.877 14.595 ( -14.979 13.048 3.754) 20.217 14.679 ( 10.887 10.112 -4.490) 15.522 14.880 ( 9.491 -2.693 -2.101) 10.087 14.949 ( -3.426 1.439 3.498) 5.103 15.111 ( -1.009 5.684 1.776) 6.039 15.241 ( 10.648 5.270 5.809) 13.225 15.329 ( -1.439 13.146 -0.365) 13.229 15.505 ( 8.580 -4.142 -9.989) 13.804 15.570 ( -3.803 16.273 3.854) 17.150 15.817 ( 1.073 6.569 0.586) 6.682 15.963 ( 2.672 5.710 3.492) 7.207 16.082 ( 19.605 5.443 -6.306) 21.302 16.192 ( -8.568 12.380 7.371) 16.763 16.268 ( -5.511 -3.479 -0.050) 6.517 16.292 ( -3.935 -6.901 -5.065) 9.422 16.526 ( -1.158 10.065 -1.422) 10.230 16.679 ( 6.391 8.449 5.193) 11.798 16.704 ( -2.485 1.489 9.286) 9.727 16.763 ( 6.948 3.450 -7.228) 10.603 17.138 ( 6.954 -1.896 2.665) 7.685 17.196 ( 15.103 1.463 -3.305) 15.529 17.433 ( 4.645 3.326 -6.558) 8.698 17.594 ( -2.058 3.264 -8.985) 9.779 17.725 ( -5.475 5.355 1.896) 7.890 17.942 ( 2.982 0.119 2.531) 3.913 18.104 ( 4.881 8.904 1.690) 10.294 18.152 ( 1.296 -0.211 0.970) 1.633 18.512 ( 7.822 9.957 0.532) 12.673 18.573 ( 1.523 4.359 -0.477) 4.642 18.943 ( -1.127 -6.656 -5.772) 8.882 19.235 ( -5.891 -5.172 0.456) 7.852 19.261 ( 0.800 -0.992 -3.112) 3.363 19.470 ( 2.212 -5.965 0.715) 6.402 19.627 ( -3.596 3.993 0.412) 5.390 19.960 ( -2.082 -2.492 -4.924) 5.899 20.221 ( 4.587 3.153 5.976) 8.167 20.387 ( -5.494 1.759 6.686) 8.830 20.893 ( -1.444 -0.382 -1.588) 2.180 21.003 ( -4.272 -5.927 2.850) 7.842 21.228 ( 2.690 0.028 -1.909) 3.299 21.295 ( 0.139 5.080 -0.693) 5.129 21.372 ( 2.187 1.661 -1.550) 3.154 21.665 ( 2.014 4.424 -0.392) 4.877 22.277 ( -3.343 -0.753 4.846) 5.935 22.383 ( 0.944 -0.380 14.302) 14.338 22.962 ( -3.202 -2.473 -8.879) 9.758 23.048 ( -8.684 -15.606 -3.218) 18.147 23.596 ( -0.826 -7.182 -5.425) 9.039 23.815 ( 0.654 -0.392 -0.782) 1.092 23.887 ( 4.824 2.315 3.422) 6.351 23.936 ( -2.723 7.998 3.741) 9.240 24.046 ( 2.810 7.408 -3.795) 8.785 24.103 ( 3.491 -2.254 3.364) 5.346 24.407 ( 1.731 5.958 -1.093) 6.300 24.669 ( 4.752 9.519 1.476) 10.741 25.284 ( 1.857 -1.605 2.741) 3.679 25.632 ( -14.306 -25.418 8.788) 30.462 26.078 ( -0.808 -3.299 -6.818) 7.618 26.788 ( -4.773 -5.191 5.472) 8.926 27.421 ( -10.751 -18.727 4.895) 22.142 27.855 ( -2.869 -5.698 -0.124) 6.381 28.072 ( 2.795 5.274 -0.443) 5.985 28.875 ( 1.022 0.998 -0.485) 1.509 29.904 ( 11.101 18.781 -18.526) 28.621 ======================= Grid point 157 (44/68) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -2.618 3.598 3.975) 5.966 3.016 ( 2.990 -2.574 1.217) 4.129 3.610 ( 13.438 22.614 21.244) 33.812 3.900 ( 27.124 23.212 26.897) 44.699 4.411 ( -4.787 -0.942 6.593) 8.202 4.912 ( 18.056 10.599 -27.211) 34.334 5.215 ( 19.032 21.293 -24.618) 37.705 5.663 ( 12.518 17.937 26.673) 34.495 6.097 ( -19.883 -24.022 12.361) 33.544 6.341 ( -12.762 -10.735 4.329) 17.230 6.627 ( -2.707 -8.045 6.316) 10.580 6.844 ( 1.437 -4.748 1.479) 5.177 6.973 ( -1.943 -14.154 -2.360) 14.481 7.188 ( -6.949 -5.427 -10.289) 13.551 7.266 ( -12.953 -9.711 -0.845) 16.210 7.323 ( -1.748 -11.074 0.941) 11.250 7.580 ( -5.663 5.282 -8.019) 11.148 7.749 ( -10.893 -16.350 7.985) 21.207 7.832 ( -7.154 -6.099 -6.411) 11.379 8.162 ( -1.779 -1.008 1.801) 2.725 8.359 ( 0.027 -11.012 -5.878) 12.483 8.411 ( 2.684 -3.788 -9.351) 10.440 8.492 ( -9.925 -0.317 -0.891) 9.970 8.653 ( -14.814 4.368 -3.229) 15.778 8.775 ( -3.160 0.231 -1.913) 3.701 8.952 ( -4.284 1.964 -2.400) 5.288 9.111 ( -8.521 -0.934 2.885) 9.045 9.330 ( -6.965 -2.231 7.232) 10.286 9.431 ( 4.306 -1.918 5.961) 7.599 9.451 ( -3.481 2.815 -8.782) 9.858 9.643 ( -6.905 4.201 2.766) 8.543 9.784 ( -5.726 -9.216 3.476) 11.393 9.976 ( 10.395 -15.165 -9.827) 20.847 10.019 ( -6.200 -3.168 -0.886) 7.019 10.299 ( 2.273 -3.711 2.483) 5.010 10.391 ( 6.514 -1.480 -1.352) 6.815 10.492 ( 2.101 -13.015 13.095) 18.582 10.624 ( -5.547 -4.272 0.993) 7.072 10.732 ( -9.725 8.954 1.267) 13.280 10.814 ( -7.725 -11.735 3.483) 14.475 10.898 ( 6.844 7.623 3.695) 10.890 11.054 ( 12.098 -2.655 -3.371) 12.837 11.164 ( -4.447 -0.962 -8.970) 10.058 11.306 ( -15.951 -4.814 4.174) 17.176 11.534 ( 1.985 -1.751 2.581) 3.697 11.606 ( -4.740 -6.313 0.612) 7.918 11.782 ( -3.539 8.446 -7.947) 12.125 11.886 ( -1.258 1.257 -4.480) 4.820 12.058 ( -4.873 4.159 3.675) 7.386 12.174 ( 5.897 -4.971 2.725) 8.180 12.238 ( 3.957 -7.270 9.951) 12.943 12.489 ( 12.585 8.021 -4.613) 15.620 12.565 ( 4.181 -5.597 -0.113) 6.987 12.640 ( -0.465 -0.942 -5.183) 5.288 12.876 ( -4.393 7.723 -5.842) 10.634 13.011 ( 1.584 0.038 -7.769) 7.929 13.082 ( 2.588 -1.770 1.990) 3.713 13.267 ( -3.067 -0.080 4.213) 5.212 13.331 ( 2.319 7.282 -1.973) 7.893 13.416 ( 8.763 -2.215 1.176) 9.114 13.637 ( 0.454 -7.131 -2.202) 7.477 13.721 ( -1.177 -5.638 6.501) 8.685 14.019 ( -7.138 -1.283 -6.174) 9.525 14.150 ( 1.511 -7.917 1.268) 8.159 14.189 ( -4.887 2.995 -4.762) 7.452 14.204 ( 3.630 -0.065 -4.322) 5.644 14.342 ( 11.092 2.525 5.536) 12.651 14.390 ( 1.086 -2.936 -0.327) 3.148 14.505 ( -6.437 9.235 2.977) 11.644 14.814 ( -5.222 4.259 13.109) 14.740 14.905 ( 0.530 -0.212 -5.042) 5.074 15.043 ( 7.106 1.684 3.005) 7.897 15.116 ( -6.171 5.309 -2.927) 8.651 15.393 ( -0.262 9.439 -3.491) 10.067 15.473 ( 3.937 6.506 -8.337) 11.284 15.605 ( 9.136 -0.340 -2.823) 9.569 15.695 ( 1.369 3.539 -3.901) 5.442 15.902 ( -0.180 11.824 4.375) 12.608 15.988 ( -1.225 3.204 4.902) 5.983 16.032 ( -6.671 -7.397 3.273) 10.485 16.220 ( 2.089 1.563 -5.726) 6.293 16.311 ( 0.536 11.120 4.026) 11.838 16.495 ( 11.583 8.660 -0.056) 14.462 16.633 ( 0.265 5.529 -1.024) 5.629 16.710 ( 4.252 7.148 14.650) 16.846 16.877 ( 3.000 -1.218 -5.028) 5.980 16.966 ( 14.283 2.750 3.871) 15.051 17.158 ( 7.038 -4.119 0.062) 8.155 17.438 ( 7.149 1.295 3.581) 8.100 17.542 ( -2.636 5.267 -10.963) 12.445 17.633 ( 2.041 5.025 -1.798) 5.714 17.746 ( 2.779 7.074 -7.220) 10.483 17.940 ( -4.232 1.207 7.761) 8.922 18.122 ( -0.366 0.254 6.760) 6.775 18.322 ( 11.024 1.792 -2.639) 11.477 18.632 ( 1.246 2.697 -1.899) 3.526 18.712 ( 1.997 1.753 -1.945) 3.293 18.825 ( -3.944 -6.473 -5.826) 9.560 19.156 ( 1.318 1.921 0.882) 2.491 19.279 ( 0.926 0.689 -0.945) 1.492 19.443 ( 1.616 -5.936 0.958) 6.226 19.609 ( -2.973 5.979 -1.266) 6.796 19.894 ( -2.692 -0.408 -3.606) 4.519 20.224 ( -0.274 -2.289 9.278) 9.560 20.408 ( -2.441 4.930 2.161) 5.910 20.820 ( -1.290 -7.601 0.944) 7.768 20.933 ( -0.024 -0.180 1.406) 1.418 21.286 ( -1.169 6.572 -3.264) 7.431 21.303 ( 1.351 -2.728 -4.353) 5.312 21.481 ( 3.862 7.286 1.991) 8.483 21.686 ( 0.168 -0.857 -0.769) 1.164 22.192 ( -5.970 -1.178 6.705) 9.055 22.385 ( 0.915 -2.800 16.485) 16.746 22.734 ( -6.107 -16.703 -2.845) 18.011 22.935 ( -1.357 3.348 -12.105) 12.633 23.463 ( -6.875 -4.441 -6.612) 10.522 23.826 ( -1.047 2.333 -2.226) 3.391 23.921 ( 0.370 1.171 2.314) 2.620 24.034 ( 4.964 2.792 3.114) 6.491 24.114 ( 3.783 -1.829 3.771) 5.646 24.246 ( 8.610 3.202 -0.198) 9.189 24.467 ( 0.802 2.228 -0.345) 2.393 24.813 ( -1.425 7.884 4.612) 9.244 25.104 ( -8.598 -12.491 -1.185) 15.210 25.456 ( 4.691 3.198 4.994) 7.561 26.049 ( -0.245 -2.922 -4.685) 5.527 26.634 ( -7.823 -4.520 7.209) 11.559 27.045 ( -11.126 -14.543 -1.301) 18.357 27.767 ( 1.007 -8.664 -0.132) 8.724 28.158 ( -2.541 11.350 -0.678) 11.650 28.904 ( 2.870 -2.158 -0.766) 3.671 30.164 ( 5.378 6.119 -13.065) 15.397 ======================= Grid point 158 (45/68) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -3.500 2.340 0.418) 4.231 3.019 ( 1.561 -3.734 -0.963) 4.160 4.060 ( 12.894 9.737 8.635) 18.320 4.377 ( -0.909 7.974 10.348) 13.095 4.670 ( 24.175 27.533 22.399) 42.944 5.118 ( -12.350 -2.294 8.743) 15.305 5.418 ( -7.574 -12.214 8.541) 16.718 5.541 ( 6.102 6.033 -13.605) 16.085 5.931 ( -2.970 0.373 -12.838) 13.183 6.046 ( 3.632 -21.660 -6.571) 22.925 6.535 ( -2.200 -16.161 -4.891) 17.028 6.767 ( -6.030 -16.181 -5.238) 18.045 6.990 ( 5.660 -3.537 4.458) 8.026 7.051 ( -2.150 -2.219 -5.295) 6.130 7.144 ( 0.475 -3.966 0.554) 4.032 7.358 ( 23.750 12.347 18.444) 32.507 7.401 ( -7.889 -1.924 -5.553) 9.837 7.615 ( 3.261 4.487 -0.349) 5.557 7.905 ( 2.562 13.544 -1.440) 13.859 8.066 ( -6.889 3.567 0.437) 7.770 8.139 ( -17.387 -3.042 -4.081) 18.117 8.304 ( -2.536 -5.724 -6.983) 9.379 8.342 ( -8.550 -0.691 0.942) 8.629 8.588 ( -4.452 5.119 9.443) 11.628 8.713 ( -4.330 2.471 -11.898) 12.901 8.854 ( -16.477 4.405 -2.195) 17.196 9.044 ( 2.697 1.599 0.669) 3.206 9.193 ( -4.812 -3.986 10.431) 12.159 9.353 ( -7.586 -1.548 12.042) 14.316 9.569 ( 3.027 -1.549 5.954) 6.857 9.582 ( 4.411 13.625 -4.728) 15.081 9.777 ( 3.069 1.128 3.637) 4.891 9.913 ( -1.798 -3.852 -5.100) 6.640 9.986 ( 4.852 -5.017 -7.095) 9.952 10.057 ( -6.856 -18.106 6.168) 20.319 10.344 ( -3.452 -5.622 10.482) 12.386 10.472 ( -6.504 -7.875 -0.602) 10.231 10.555 ( -0.724 2.502 0.476) 2.648 10.600 ( 6.370 -6.112 -0.062) 8.829 10.750 ( 2.769 0.427 1.680) 3.267 10.997 ( -4.900 -1.818 -3.016) 6.034 11.057 ( -5.620 -0.918 -3.262) 6.563 11.090 ( 3.803 -1.403 -4.461) 6.027 11.320 ( -1.031 -0.414 1.602) 1.950 11.352 ( 3.245 -4.791 -2.198) 6.190 11.579 ( 0.931 -0.567 2.270) 2.518 11.831 ( -1.500 0.563 -4.751) 5.014 11.901 ( 2.521 2.452 -0.864) 3.621 12.067 ( 4.190 4.365 -6.049) 8.556 12.242 ( 5.082 -3.860 -0.797) 6.431 12.258 ( 2.351 -0.796 8.185) 8.553 12.458 ( 5.946 -16.598 3.884) 18.053 12.573 ( 1.532 -10.956 1.854) 11.217 12.830 ( 7.671 11.994 -3.996) 14.788 12.917 ( -1.787 6.935 -4.152) 8.278 12.946 ( -4.966 -3.810 -8.364) 10.447 13.092 ( -1.945 2.868 4.074) 5.348 13.307 ( 2.129 -5.228 -10.645) 12.049 13.343 ( -9.247 -0.293 -5.447) 10.736 13.503 ( 4.427 5.774 0.738) 7.313 13.646 ( 3.777 -2.381 4.484) 6.328 13.715 ( 7.085 -0.337 8.004) 10.695 13.805 ( -9.585 -10.133 0.768) 13.969 14.036 ( -4.658 1.495 -2.317) 5.413 14.203 ( 2.933 -1.478 -0.039) 3.284 14.323 ( 8.393 3.333 -2.118) 9.276 14.388 ( 5.780 -8.740 -7.606) 12.948 14.524 ( -2.244 8.766 -0.962) 9.100 14.560 ( -1.183 4.609 5.011) 6.910 14.750 ( -5.616 0.632 2.540) 6.196 14.846 ( 1.438 3.769 -0.177) 4.038 15.049 ( -5.908 2.713 -3.563) 7.413 15.160 ( -1.628 10.285 6.132) 12.084 15.458 ( -2.410 3.806 -4.403) 6.299 15.555 ( 2.315 1.491 -7.491) 7.981 15.696 ( -2.102 -3.749 5.584) 7.046 15.761 ( 7.372 2.243 -6.766) 10.255 15.888 ( -3.176 1.141 5.544) 6.491 15.982 ( 0.694 1.910 -3.634) 4.163 16.085 ( 4.902 2.510 -0.068) 5.508 16.221 ( -3.307 2.900 -3.195) 5.436 16.414 ( -3.268 10.943 4.057) 12.119 16.608 ( -0.944 -2.824 12.133) 12.493 16.732 ( 0.269 6.757 -7.668) 10.224 16.783 ( 4.666 -4.102 6.220) 8.791 16.926 ( 0.547 9.194 -0.069) 9.210 17.188 ( 7.858 -2.980 3.725) 9.192 17.280 ( 2.775 -2.724 -1.784) 4.278 17.502 ( 1.022 3.636 -0.226) 3.783 17.575 ( -0.417 2.742 3.009) 4.093 17.652 ( 0.027 4.527 -3.675) 5.831 17.822 ( -1.986 4.459 -1.366) 5.069 17.885 ( 0.497 0.702 2.091) 2.261 18.221 ( 4.097 6.341 6.012) 9.651 18.454 ( 5.094 -4.220 -3.222) 7.358 18.568 ( -9.111 -6.024 -2.675) 11.245 18.643 ( 1.085 -6.793 -2.335) 7.265 18.764 ( 1.145 -1.745 -0.174) 2.094 19.231 ( 0.236 2.796 2.150) 3.535 19.320 ( 0.808 5.061 -2.339) 5.634 19.402 ( -0.920 -6.090 -0.056) 6.160 19.676 ( 2.180 8.724 -1.913) 9.194 19.876 ( -0.182 0.785 -1.819) 1.990 20.223 ( 1.610 0.973 6.973) 7.222 20.342 ( -5.928 -0.089 1.691) 6.165 20.762 ( 4.845 -10.052 1.232) 11.226 20.954 ( 0.150 2.253 0.813) 2.400 21.270 ( -0.440 -1.257 -8.924) 9.023 21.346 ( -2.015 6.536 0.231) 6.844 21.558 ( -1.832 4.019 1.315) 4.608 21.768 ( 10.138 0.340 1.394) 10.240 22.037 ( -8.745 -2.355 4.854) 10.275 22.362 ( 0.683 -4.180 12.188) 12.903 22.532 ( 0.169 -12.151 0.323) 12.156 22.999 ( 2.323 6.786 -9.927) 12.247 23.297 ( -8.263 -1.516 -7.651) 11.363 23.831 ( -1.518 3.415 -2.868) 4.711 23.948 ( 1.933 -0.500 3.823) 4.313 24.115 ( 2.967 -0.781 1.878) 3.597 24.161 ( 4.982 -3.916 5.402) 8.327 24.391 ( 3.948 1.848 -0.994) 4.471 24.498 ( 1.977 -0.372 0.717) 2.136 24.681 ( -7.385 -6.930 -0.572) 10.144 25.044 ( -3.651 11.107 -0.216) 11.694 25.624 ( 8.546 4.162 6.656) 11.604 25.942 ( -7.069 -8.390 1.855) 11.126 26.506 ( -0.723 0.939 0.399) 1.251 26.800 ( -4.543 -7.957 -3.168) 9.695 27.720 ( 3.908 -9.260 -0.208) 10.053 28.207 ( -6.895 14.671 -0.774) 16.229 28.924 ( 3.455 -5.137 -0.922) 6.259 30.248 ( 1.153 1.194 -9.259) 9.406 ======================= Grid point 159 (46/68) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.610 4.667 -0.034) 4.937 2.992 ( -0.236 -4.174 -0.360) 4.196 4.108 ( -9.258 -3.496 10.016) 14.080 4.265 ( -25.785 2.716 13.953) 29.443 4.601 ( -18.702 -9.001 20.808) 29.389 5.171 ( -3.969 1.435 -7.648) 8.735 5.363 ( 12.241 7.522 5.159) 15.266 5.674 ( -3.181 -6.869 -14.733) 16.564 5.994 ( 24.946 8.869 8.609) 27.841 6.127 ( 5.783 -6.474 -1.422) 8.797 6.517 ( 12.656 -5.696 -7.095) 15.587 6.620 ( 12.584 -9.073 -10.459) 18.710 6.981 ( -1.032 -4.427 5.112) 6.841 7.044 ( 4.968 -6.495 3.224) 8.790 7.142 ( 8.278 -0.557 -10.039) 13.024 7.238 ( -24.535 -3.580 2.985) 24.973 7.477 ( -4.556 -4.422 10.302) 12.101 7.723 ( 2.042 1.247 -0.935) 2.569 7.941 ( 2.123 13.143 -6.679) 14.895 8.052 ( -5.874 2.695 -5.384) 8.411 8.121 ( -5.765 -6.021 -0.617) 8.359 8.405 ( -9.931 -1.119 5.901) 11.606 8.429 ( 20.925 22.233 6.312) 31.177 8.501 ( 11.490 17.300 -0.206) 20.769 8.635 ( 4.323 2.090 -8.041) 9.366 8.873 ( 2.699 15.443 -1.912) 15.793 8.921 ( -7.414 -2.585 0.208) 7.854 9.218 ( 0.340 7.026 4.972) 8.614 9.391 ( 5.879 3.555 5.952) 9.090 9.555 ( -5.199 -5.008 9.363) 11.822 9.731 ( 0.234 2.281 -0.413) 2.330 9.767 ( 0.206 -8.682 0.179) 8.686 9.824 ( 1.677 -7.865 0.276) 8.047 9.895 ( 4.343 -2.866 3.058) 6.036 10.178 ( 3.911 7.588 -1.092) 8.606 10.217 ( -1.897 -4.307 2.483) 5.321 10.340 ( 4.363 -0.812 -0.013) 4.438 10.559 ( 2.885 -2.486 -2.359) 4.480 10.707 ( 1.595 1.273 -2.029) 2.878 10.800 ( 3.948 -2.426 2.309) 5.178 10.979 ( 1.848 2.507 -2.803) 4.190 11.057 ( 12.816 -4.793 0.433) 13.690 11.118 ( 2.589 0.380 1.419) 2.977 11.221 ( 0.048 -6.595 -2.295) 6.983 11.422 ( 2.329 -3.760 -3.035) 5.364 11.531 ( -4.852 3.212 -1.735) 6.072 11.852 ( 1.174 3.837 -0.846) 4.101 12.022 ( 6.134 1.920 2.467) 6.885 12.140 ( 0.326 -7.859 -5.308) 9.490 12.195 ( -2.822 0.465 7.044) 7.602 12.381 ( 9.343 -0.497 -5.307) 10.756 12.443 ( 4.243 -15.797 5.581) 17.283 12.503 ( -2.253 -0.990 -1.239) 2.755 12.727 ( -0.621 -8.782 -2.250) 9.087 12.917 ( -4.723 5.207 -3.917) 8.048 13.015 ( 2.460 -4.124 -6.284) 7.909 13.115 ( -5.603 7.548 -5.004) 10.649 13.155 ( -9.363 7.402 -1.003) 11.978 13.357 ( 5.543 -1.193 0.139) 5.671 13.465 ( -3.234 -12.269 3.673) 13.209 13.516 ( -7.936 3.831 -2.287) 9.104 13.742 ( 6.128 -7.236 9.313) 13.291 13.851 ( -1.044 8.833 -6.753) 11.167 14.054 ( 3.677 2.801 4.409) 6.388 14.212 ( -1.157 -0.859 2.206) 2.635 14.324 ( -1.022 -10.789 -12.740) 16.726 14.443 ( 1.262 -3.350 -2.193) 4.199 14.480 ( -6.611 -0.710 1.273) 6.770 14.640 ( 3.635 7.160 8.878) 11.971 14.713 ( 2.389 8.005 -4.587) 9.531 14.949 ( 3.403 -5.281 3.138) 7.022 15.050 ( -3.530 15.319 0.391) 15.725 15.225 ( 0.379 7.901 0.377) 7.919 15.406 ( -6.875 2.606 -2.112) 7.650 15.470 ( -5.965 -8.178 -2.855) 10.517 15.689 ( 4.588 -0.905 -6.842) 8.287 15.765 ( -6.517 -2.840 5.883) 9.228 15.929 ( -1.618 -2.009 -3.698) 4.509 15.958 ( 1.103 2.123 -11.401) 11.649 16.120 ( 3.093 -3.193 0.416) 4.465 16.282 ( -1.469 7.755 -0.690) 7.923 16.465 ( 0.009 11.989 6.224) 13.509 16.525 ( -3.166 -5.357 4.393) 7.618 16.609 ( -10.248 -0.847 3.573) 10.886 16.913 ( -6.121 3.673 7.858) 10.616 16.945 ( 1.050 1.941 3.488) 4.128 17.128 ( -8.387 -2.154 1.624) 8.810 17.192 ( -2.808 -9.922 2.941) 10.723 17.429 ( -8.018 -1.719 -3.325) 8.849 17.550 ( -3.140 3.978 -1.859) 5.398 17.784 ( -0.028 -0.407 -9.038) 9.047 17.868 ( 4.548 4.512 1.839) 6.665 17.964 ( 1.417 4.959 -0.773) 5.215 18.187 ( -7.803 -8.151 6.809) 13.179 18.344 ( -3.472 -2.859 6.121) 7.596 18.523 ( 5.198 1.228 -4.023) 6.686 18.668 ( 4.608 -2.850 -1.747) 5.693 18.776 ( 1.332 -0.582 -1.824) 2.332 19.236 ( -3.012 4.577 1.167) 5.602 19.282 ( -4.143 -5.381 1.185) 6.893 19.351 ( -1.702 1.666 -2.317) 3.323 19.776 ( -0.437 3.370 -1.062) 3.560 19.865 ( -0.666 -0.283 -2.921) 3.010 20.246 ( -1.501 -1.146 2.820) 3.394 20.355 ( 7.194 4.568 2.883) 8.996 20.771 ( 6.633 -8.807 3.744) 11.643 20.961 ( -1.510 1.513 -1.187) 2.445 21.256 ( -0.248 -1.429 -4.959) 5.167 21.347 ( -4.555 7.028 -2.511) 8.743 21.575 ( 0.540 0.659 -2.145) 2.309 21.755 ( -7.267 -5.649 2.094) 9.440 22.098 ( 11.562 7.469 8.131) 15.987 22.325 ( 0.329 -4.740 8.330) 9.590 22.510 ( 8.113 -6.616 1.681) 10.603 23.074 ( -2.450 0.128 -12.144) 12.389 23.219 ( 0.964 7.052 -4.604) 8.477 23.837 ( -1.922 3.342 -2.982) 4.874 23.967 ( 1.061 -0.956 3.950) 4.201 24.115 ( -0.111 -3.745 2.202) 4.346 24.188 ( 1.077 -3.448 4.815) 6.020 24.390 ( -6.305 -8.499 -0.747) 10.609 24.448 ( 1.699 0.715 0.169) 1.851 24.682 ( 8.113 3.294 0.017) 8.756 25.053 ( -8.590 9.833 -0.224) 13.058 25.619 ( -9.119 -7.041 7.158) 13.564 25.879 ( 7.061 2.944 2.135) 7.942 26.637 ( 9.466 1.981 0.974) 9.720 26.724 ( 3.699 -0.973 -4.367) 5.806 27.719 ( 5.934 -7.983 -0.246) 9.950 28.210 ( -9.058 13.455 -0.740) 16.237 28.919 ( 2.374 -5.739 -0.845) 6.268 30.246 ( -1.840 -0.380 -9.159) 9.350 ======================= Grid point 160 (47/68) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 0.228 0.034 3.520) 3.528 2.931 ( -1.954 1.304 2.897) 3.730 3.689 ( -35.505 3.863 27.907) 45.325 3.757 ( -18.978 -9.920 18.076) 28.023 4.452 ( 2.235 -0.338 9.233) 9.506 4.855 ( -17.461 -5.900 -26.300) 32.115 5.230 ( -32.266 -7.390 -24.839) 41.384 5.740 ( -20.938 -7.840 21.742) 31.186 6.095 ( 27.249 1.262 8.400) 28.542 6.530 ( 19.176 0.945 10.326) 21.800 6.649 ( 14.418 -5.671 1.789) 15.597 6.720 ( -3.233 2.003 10.775) 11.427 6.929 ( 13.989 1.363 -3.438) 14.470 7.123 ( 11.045 9.212 1.391) 14.450 7.226 ( 8.448 5.333 -5.941) 11.624 7.318 ( 13.449 -2.061 -6.254) 14.974 7.590 ( 9.297 1.847 2.354) 9.767 7.867 ( 11.272 -3.383 -4.570) 12.625 7.911 ( 6.463 -4.849 -4.589) 9.292 8.103 ( -1.308 16.485 -6.568) 17.793 8.125 ( -0.493 1.464 -2.963) 3.341 8.306 ( 9.331 1.108 -4.828) 10.564 8.622 ( 2.876 0.654 -3.934) 4.917 8.783 ( 4.198 0.387 0.495) 4.244 8.837 ( 4.896 1.992 -5.664) 7.748 9.012 ( 7.294 19.167 0.651) 20.518 9.194 ( 0.503 -11.230 -1.482) 11.339 9.296 ( 3.646 2.114 5.567) 6.982 9.377 ( 8.670 14.679 -5.036) 17.777 9.483 ( -1.275 -2.382 5.039) 5.717 9.622 ( -1.075 -7.460 0.840) 7.584 9.788 ( 4.775 4.697 7.232) 9.857 9.888 ( 6.739 -0.845 -1.411) 6.937 10.037 ( 3.715 4.909 -0.359) 6.167 10.149 ( -5.227 3.677 -1.341) 6.530 10.289 ( 9.716 -1.364 3.750) 10.504 10.459 ( 11.606 -6.248 -1.013) 13.220 10.637 ( 2.727 1.086 5.055) 5.845 10.756 ( -1.180 6.671 4.057) 7.896 10.831 ( -0.784 2.828 2.504) 3.858 10.937 ( 0.275 -5.919 -3.973) 7.134 11.089 ( 2.467 -14.803 -3.525) 15.415 11.259 ( 6.388 2.751 -1.300) 7.075 11.413 ( 7.226 -6.848 -5.135) 11.202 11.435 ( 19.143 2.261 14.510) 24.127 11.602 ( 4.837 13.310 -6.823) 15.720 11.830 ( -11.916 -0.219 -2.948) 12.277 11.942 ( -4.601 -7.319 -10.704) 13.759 12.086 ( -4.050 2.629 2.401) 5.393 12.187 ( -4.007 -10.156 1.341) 11.000 12.244 ( 0.459 -1.251 5.772) 5.924 12.400 ( -5.748 2.108 1.526) 6.310 12.554 ( 9.249 -8.916 4.234) 13.527 12.759 ( -0.944 -5.998 -7.360) 9.541 12.889 ( 1.660 -2.450 -6.471) 7.116 12.896 ( -5.587 5.905 -2.834) 8.609 13.092 ( -10.137 11.804 -1.790) 15.662 13.116 ( -1.573 6.111 11.374) 13.007 13.359 ( -2.144 -2.584 -6.880) 7.656 13.382 ( -1.782 -3.182 2.836) 4.620 13.570 ( 9.835 4.713 -4.128) 11.661 13.743 ( 3.945 -6.178 8.285) 11.062 14.011 ( 7.347 10.735 1.055) 13.051 14.084 ( -9.856 8.793 9.438) 16.234 14.154 ( 2.728 -5.440 -11.258) 12.797 14.167 ( -6.532 -3.941 -0.774) 7.668 14.391 ( -0.898 -2.987 -7.509) 8.131 14.407 ( 3.992 -9.013 -2.568) 10.187 14.743 ( -0.042 5.806 -2.387) 6.278 14.823 ( 0.705 -3.656 14.189) 14.669 14.935 ( 0.164 -2.053 8.561) 8.806 14.984 ( -8.621 -3.350 -2.516) 9.585 15.250 ( -8.045 -3.268 1.390) 8.794 15.316 ( -6.680 7.681 0.773) 10.209 15.407 ( 2.026 7.138 -15.419) 17.112 15.549 ( -9.014 -5.568 2.845) 10.970 15.749 ( 0.958 -1.085 -11.533) 11.623 15.922 ( -5.679 -0.934 -1.345) 5.911 16.021 ( 9.706 5.010 -1.769) 11.065 16.088 ( -2.430 -4.520 0.884) 5.208 16.245 ( -6.164 0.700 -3.966) 7.363 16.350 ( -12.766 -2.543 1.171) 13.069 16.421 ( -6.707 -4.380 6.018) 10.019 16.640 ( 0.540 10.970 6.251) 12.638 16.760 ( -9.274 -3.388 4.139) 10.706 16.841 ( -9.367 -2.541 6.594) 11.734 17.011 ( -5.820 -12.898 7.222) 15.887 17.045 ( -0.431 2.778 6.112) 6.728 17.265 ( -10.327 4.903 -7.937) 13.917 17.538 ( -5.941 3.993 -8.804) 11.347 17.678 ( -6.435 -3.782 -3.479) 8.235 17.829 ( -3.881 -2.562 -5.955) 7.556 17.974 ( -4.693 0.016 4.971) 6.836 18.100 ( 4.043 0.071 5.088) 6.499 18.295 ( -4.817 -4.104 4.353) 7.680 18.608 ( 0.902 1.905 -3.275) 3.895 18.675 ( -5.647 2.688 -0.586) 6.282 18.809 ( 3.849 1.748 -4.542) 6.205 19.175 ( -0.017 -1.449 -0.585) 1.562 19.270 ( -0.650 0.370 2.066) 2.198 19.354 ( 2.944 2.674 -2.105) 4.500 19.717 ( -3.352 -3.821 0.536) 5.111 19.897 ( 2.246 1.978 -5.366) 6.145 20.227 ( 0.586 -1.078 7.016) 7.123 20.469 ( -0.149 -0.713 0.639) 0.969 20.827 ( 7.551 -2.989 4.724) 9.395 20.947 ( 0.251 -1.015 -0.924) 1.396 21.231 ( -2.644 2.634 -2.540) 4.515 21.353 ( -0.031 0.906 -5.397) 5.473 21.478 ( -9.054 -2.348 -0.343) 9.360 21.685 ( 0.698 0.680 0.279) 1.014 22.287 ( 0.563 -3.445 3.943) 5.266 22.327 ( 5.621 3.107 19.074) 20.126 22.696 ( 17.521 -0.398 -3.204) 17.816 22.996 ( -2.080 -2.687 -13.410) 13.834 23.397 ( 7.451 8.828 -3.824) 12.169 23.826 ( -2.104 1.723 -2.146) 3.464 23.953 ( -2.231 -1.396 2.257) 3.467 24.072 ( -1.790 0.686 4.586) 4.970 24.108 ( -3.099 -7.936 3.785) 9.323 24.201 ( -6.959 -4.680 -2.846) 8.856 24.467 ( -1.080 0.387 -0.694) 1.341 24.858 ( -5.391 1.425 7.266) 9.159 25.035 ( 11.514 7.233 -1.836) 13.721 25.451 ( -3.287 -2.098 4.917) 6.275 26.009 ( 3.849 2.537 -3.110) 5.561 26.706 ( 4.953 -2.548 5.358) 7.728 27.019 ( 20.216 5.157 -1.249) 20.901 27.765 ( 6.825 -4.969 -0.209) 8.445 28.162 ( -8.569 7.637 -0.606) 11.495 28.898 ( 0.406 -3.141 -0.643) 3.232 30.160 ( -8.110 -1.263 -12.877) 15.270 ======================= Grid point 165 (48/68) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -2.244 0.198 -0.011) 2.253 2.934 ( 1.260 -3.129 -2.216) 4.036 4.019 ( 5.419 14.697 10.135) 18.657 4.410 ( 15.775 17.003 20.495) 30.952 4.519 ( 17.352 23.798 19.119) 35.114 5.190 ( 11.747 12.675 -15.071) 22.930 5.454 ( -8.966 6.180 -2.618) 11.200 5.561 ( -5.691 -21.952 2.462) 22.811 5.918 ( -5.259 4.688 -2.962) 7.642 6.111 ( -20.582 -11.753 -1.036) 23.724 6.336 ( -5.195 -26.790 9.212) 28.801 6.674 ( -8.280 -24.930 -9.353) 27.884 6.971 ( -5.970 -6.049 -1.814) 8.690 7.024 ( 3.042 -10.758 1.867) 11.335 7.109 ( -4.976 -3.013 -10.649) 12.135 7.193 ( 19.574 33.146 13.185) 40.690 7.479 ( -1.792 -6.073 8.353) 10.481 7.628 ( -5.368 2.116 -10.505) 11.985 7.990 ( 3.697 16.102 -4.386) 17.093 8.108 ( 2.406 -10.955 -9.435) 14.657 8.187 ( 1.262 2.304 3.441) 4.329 8.359 ( 1.877 1.945 -1.671) 3.178 8.505 ( -8.966 1.172 -3.143) 9.573 8.723 ( -3.249 -4.433 2.027) 5.858 8.800 ( -2.056 2.623 -3.004) 4.487 8.972 ( 7.546 -11.570 5.054) 14.709 9.116 ( -8.196 6.422 -0.410) 10.421 9.309 ( 1.682 -4.085 5.546) 7.091 9.399 ( -0.108 -12.471 5.285) 13.545 9.471 ( -10.119 0.886 8.435) 13.204 9.558 ( 7.894 -0.023 -5.903) 9.857 9.696 ( -4.229 -2.270 3.160) 5.747 9.792 ( 0.392 -1.919 -2.195) 2.942 9.967 ( 1.300 -4.918 -2.747) 5.781 10.159 ( -2.644 -5.973 6.048) 8.903 10.200 ( -8.237 -7.393 7.057) 13.126 10.310 ( 6.914 1.949 -2.399) 7.573 10.497 ( -2.643 -8.613 -4.726) 10.173 10.697 ( -5.903 -2.976 0.863) 6.667 10.862 ( -11.178 -1.827 -2.389) 11.576 10.925 ( 5.678 -6.112 1.936) 8.564 11.018 ( -1.952 1.677 -2.229) 3.405 11.180 ( -3.412 -3.093 -4.420) 6.383 11.236 ( 1.588 -8.551 5.971) 10.550 11.316 ( 3.552 0.363 4.406) 5.671 11.595 ( -0.956 4.707 -0.868) 4.881 11.932 ( -2.613 2.002 -4.700) 5.738 12.020 ( -6.931 -3.059 4.803) 8.970 12.036 ( 4.958 3.273 -4.098) 7.217 12.156 ( -3.161 7.040 4.844) 9.111 12.208 ( -0.367 -5.468 3.156) 6.324 12.335 ( -2.807 -0.032 -2.174) 3.550 12.445 ( -5.927 -9.459 4.918) 12.198 12.776 ( 8.763 6.188 -9.977) 14.650 12.898 ( 0.452 -7.454 -8.222) 11.107 13.019 ( 5.726 -0.983 -5.516) 8.011 13.116 ( -3.438 7.451 -3.580) 8.953 13.277 ( -3.461 4.250 6.919) 8.826 13.390 ( 2.405 -10.739 -0.694) 11.027 13.423 ( 7.093 -5.274 -5.866) 10.608 13.493 ( -2.226 6.473 0.559) 6.868 13.678 ( 4.402 4.248 3.986) 7.302 13.968 ( -3.721 -1.763 1.511) 4.386 14.110 ( -1.447 0.261 -2.933) 3.280 14.149 ( 2.179 -1.063 -18.794) 18.950 14.224 ( -3.698 -3.180 8.530) 9.826 14.368 ( -1.043 7.377 -7.567) 10.619 14.480 ( 8.124 4.121 6.233) 11.038 14.721 ( -7.590 9.130 6.215) 13.401 14.763 ( 1.323 -6.222 5.228) 8.234 14.952 ( 3.875 -3.345 2.037) 5.509 15.080 ( -2.568 6.370 4.832) 8.398 15.273 ( -6.957 10.946 -3.625) 13.467 15.459 ( 12.425 -7.473 -1.705) 14.599 15.561 ( 8.299 2.642 -12.267) 15.045 15.648 ( -2.229 7.332 -2.141) 7.957 15.753 ( 3.292 3.359 -7.741) 9.058 15.809 ( -6.437 -9.033 0.569) 11.106 15.983 ( 2.484 0.336 -3.990) 4.712 16.070 ( -3.142 0.023 1.604) 3.528 16.381 ( -2.699 10.027 0.673) 10.406 16.481 ( 7.229 6.055 1.696) 9.581 16.603 ( 3.574 2.172 7.905) 8.943 16.682 ( 3.632 -5.604 8.013) 10.431 16.898 ( -2.013 14.497 2.204) 14.801 16.974 ( 4.649 7.414 7.559) 11.564 16.989 ( 0.389 -0.527 3.773) 3.829 17.183 ( 9.178 5.501 0.228) 10.703 17.447 ( 4.021 -0.252 -0.533) 4.064 17.622 ( 2.448 2.700 -6.337) 7.311 17.727 ( -2.674 4.021 0.410) 4.846 17.872 ( 0.294 3.269 1.289) 3.526 17.998 ( -6.076 9.357 3.227) 11.614 18.137 ( 10.728 -0.425 -1.631) 10.859 18.340 ( 2.337 -0.916 3.791) 4.546 18.567 ( -2.140 -9.026 -5.701) 10.888 18.624 ( -3.890 -4.640 -3.448) 6.968 18.746 ( -3.393 -3.068 -1.545) 4.828 19.226 ( 0.710 0.906 1.827) 2.159 19.323 ( 4.598 2.168 -0.505) 5.109 19.371 ( 1.767 2.589 -3.190) 4.472 19.752 ( -0.455 7.087 -0.019) 7.101 19.886 ( 0.140 -0.730 -1.798) 1.945 20.218 ( 0.180 1.987 6.570) 6.867 20.441 ( -1.872 -2.896 -1.296) 3.684 20.624 ( -6.052 -9.202 5.596) 12.354 20.989 ( 1.855 4.429 -1.790) 5.125 21.243 ( -0.667 -3.323 -5.557) 6.509 21.418 ( 2.091 6.787 -3.068) 7.736 21.608 ( 6.280 0.084 0.636) 6.312 21.652 ( -3.717 2.845 1.004) 4.787 22.167 ( -7.655 -3.753 11.947) 14.677 22.297 ( 2.284 -4.356 6.137) 7.865 22.437 ( -5.137 -10.678 1.042) 11.895 23.046 ( 1.204 7.037 -11.288) 13.356 23.340 ( -0.650 -6.994 -5.993) 9.233 23.871 ( 0.901 2.102 -2.079) 3.091 23.968 ( -2.406 2.559 0.988) 3.649 24.016 ( 0.697 -2.477 2.408) 3.524 24.142 ( -0.184 2.857 5.077) 5.828 24.336 ( 5.039 4.821 -0.231) 6.977 24.468 ( 0.140 -2.041 0.877) 2.226 24.715 ( -5.579 -9.469 0.853) 11.024 25.163 ( 4.836 10.403 0.479) 11.482 25.538 ( 4.350 5.425 5.654) 8.962 25.936 ( -2.535 -8.612 1.284) 9.069 26.575 ( -6.121 -0.837 2.898) 6.824 26.772 ( -3.613 -11.818 -4.958) 13.316 27.637 ( -2.489 -4.360 -0.056) 5.021 28.375 ( 5.351 9.736 -0.908) 11.147 28.834 ( -2.196 -4.427 -0.921) 5.027 30.242 ( 1.265 2.043 -9.133) 9.444 ======================= Grid point 166 (49/68) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -1.747 3.719 -1.276) 4.302 2.927 ( 2.038 -4.582 -2.141) 5.453 4.131 ( 0.396 0.010 4.331) 4.349 4.670 ( -6.038 15.287 14.823) 22.133 4.998 ( -5.104 2.833 13.028) 14.276 5.111 ( -21.221 -0.475 21.544) 30.244 5.453 ( 25.502 24.242 14.656) 38.116 5.635 ( -0.043 -10.166 -6.976) 12.330 5.712 ( -14.524 1.883 -10.243) 17.872 5.926 ( 7.525 -11.253 -4.153) 14.160 6.125 ( 24.150 -10.648 -2.772) 26.538 6.239 ( -0.465 -30.108 -4.525) 30.450 6.931 ( 0.041 -0.526 -4.506) 4.537 6.965 ( 0.449 -4.275 -7.301) 8.472 7.061 ( 1.308 0.795 -13.812) 13.896 7.426 ( -2.071 3.552 7.218) 8.307 7.617 ( -3.919 2.123 -7.700) 8.897 7.754 ( 4.581 -2.793 -11.065) 12.297 8.041 ( -5.949 9.481 -5.520) 12.480 8.201 ( -4.158 4.212 -1.797) 6.186 8.207 ( -3.346 5.380 2.427) 6.785 8.395 ( 4.289 12.499 4.898) 14.093 8.471 ( 2.810 10.167 6.461) 12.369 8.637 ( -1.260 11.816 5.311) 13.015 8.679 ( -16.531 -5.762 -5.271) 18.282 8.880 ( -5.893 -9.397 9.484) 14.594 9.119 ( 0.253 6.490 -0.243) 6.500 9.244 ( 11.791 -6.249 6.738) 14.950 9.341 ( -0.995 1.625 4.816) 5.179 9.472 ( 5.187 3.540 11.534) 13.132 9.519 ( 1.815 -14.506 10.799) 18.175 9.672 ( -1.552 -11.329 -2.076) 11.622 9.749 ( 2.465 -0.245 0.860) 2.622 9.900 ( -4.967 1.978 1.886) 5.669 10.115 ( 10.364 -14.242 6.868) 18.905 10.260 ( 5.148 18.358 -9.669) 21.378 10.333 ( -8.848 -4.340 -2.528) 10.174 10.568 ( 3.602 0.405 1.454) 3.905 10.583 ( -6.733 -9.421 -4.044) 12.265 10.620 ( 4.573 1.106 -3.296) 5.745 10.916 ( 4.657 -7.815 -6.283) 11.056 10.984 ( 2.005 5.803 2.083) 6.484 11.087 ( -0.322 -7.128 -4.859) 8.633 11.218 ( 2.697 -2.480 2.575) 4.478 11.390 ( -8.078 7.663 2.950) 11.518 11.753 ( 0.538 -11.813 1.329) 11.899 11.824 ( 0.523 17.264 8.330) 19.175 11.919 ( 0.452 1.512 -1.806) 2.398 12.114 ( 3.275 -7.922 -0.515) 8.588 12.137 ( 1.173 0.002 -3.233) 3.440 12.224 ( -2.285 -10.185 6.120) 12.100 12.311 ( 4.713 10.469 -8.655) 14.377 12.390 ( 4.918 -5.832 2.619) 8.066 12.742 ( -0.726 -11.297 -10.583) 15.497 12.948 ( -0.787 -1.174 -3.409) 3.690 13.055 ( -6.732 2.727 -0.728) 7.300 13.121 ( 9.994 3.319 -6.385) 12.315 13.249 ( -0.100 -9.387 -2.824) 9.803 13.338 ( -1.980 9.806 -0.967) 10.050 13.410 ( -4.797 -2.317 3.680) 6.475 13.548 ( 6.174 -5.154 2.620) 8.459 13.816 ( -12.284 4.655 0.276) 13.140 13.888 ( 2.931 8.725 1.172) 9.279 14.079 ( 2.351 -1.051 -0.037) 2.575 14.160 ( -0.381 -2.740 1.235) 3.030 14.211 ( 3.828 -3.731 -16.995) 17.815 14.450 ( 0.501 7.416 -0.018) 7.433 14.549 ( -4.518 -4.447 4.517) 7.784 14.643 ( 3.648 -5.964 0.411) 7.003 14.804 ( 0.692 13.481 -0.863) 13.526 14.903 ( -6.744 0.491 2.668) 7.270 15.165 ( 6.633 -9.198 8.558) 14.207 15.294 ( -2.834 16.535 -1.883) 16.881 15.490 ( -6.580 -2.393 -5.705) 9.032 15.593 ( -2.596 1.115 -2.973) 4.101 15.629 ( 0.188 0.366 -4.439) 4.458 15.753 ( 1.510 0.734 -2.801) 3.265 15.921 ( 1.512 -1.469 -8.050) 8.321 15.936 ( 2.057 -5.582 -5.366) 8.012 16.013 ( 1.248 -0.940 1.117) 1.920 16.456 ( -1.559 11.778 6.056) 13.335 16.539 ( -4.023 -0.591 2.102) 4.578 16.636 ( 2.232 -6.173 6.238) 9.055 16.670 ( -7.029 11.233 7.571) 15.261 16.948 ( 3.582 -2.778 -2.089) 4.991 17.004 ( -0.587 2.864 5.311) 6.063 17.096 ( 0.003 -0.917 6.525) 6.589 17.289 ( -5.406 4.371 -1.444) 7.100 17.449 ( 2.771 -5.396 0.851) 6.126 17.655 ( -2.505 3.281 -2.448) 4.799 17.716 ( 1.990 -0.144 9.369) 9.579 17.939 ( -1.945 3.984 -0.185) 4.437 18.026 ( -1.656 14.320 0.115) 14.416 18.263 ( -8.211 -7.285 -0.747) 11.002 18.330 ( 8.330 -4.726 0.419) 9.587 18.448 ( -1.823 -1.651 -5.016) 5.586 18.532 ( 4.305 -3.973 -3.917) 7.047 18.704 ( 2.283 -2.827 0.333) 3.649 19.215 ( 0.985 -2.449 1.379) 2.978 19.384 ( -2.919 2.817 -3.561) 5.398 19.411 ( -0.808 2.250 -2.452) 3.425 19.821 ( -0.365 4.605 -0.345) 4.632 19.876 ( -0.503 -0.916 -0.427) 1.129 20.289 ( 0.776 3.654 -0.141) 3.738 20.334 ( -4.190 1.965 6.270) 7.793 20.531 ( 7.218 -11.356 4.487) 14.185 21.051 ( -2.997 5.875 -3.452) 7.444 21.197 ( 2.339 -4.875 -7.002) 8.847 21.508 ( -2.733 8.958 1.299) 9.456 21.573 ( -2.730 -1.440 -2.184) 3.781 21.714 ( 5.271 -6.591 3.570) 9.163 22.060 ( -1.187 4.022 5.856) 7.202 22.292 ( -0.708 -2.594 6.833) 7.343 22.329 ( 4.600 -6.518 3.614) 8.758 23.140 ( -1.185 5.873 -9.104) 10.898 23.251 ( -0.870 -2.647 -7.251) 7.768 23.900 ( -1.480 2.876 -3.822) 5.007 23.949 ( -0.018 1.252 3.462) 3.681 24.027 ( 3.036 -5.457 0.789) 6.294 24.160 ( 0.508 0.257 6.617) 6.641 24.418 ( 1.598 1.059 -0.264) 1.936 24.428 ( -2.318 -3.127 0.194) 3.897 24.615 ( 1.044 -0.761 -1.484) 1.968 25.275 ( -4.521 9.014 2.158) 10.312 25.671 ( -0.043 -0.405 6.311) 6.324 25.775 ( 1.783 -5.170 4.561) 7.122 26.557 ( 1.730 3.127 -2.760) 4.515 26.652 ( 0.769 -6.013 -3.566) 7.032 27.594 ( 1.866 -3.239 -0.043) 3.739 28.491 ( -7.241 12.788 -0.999) 14.730 28.773 ( 5.167 -9.244 -1.030) 10.640 30.260 ( -0.126 0.181 -7.697) 7.700 ======================= Grid point 171 (50/68) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -6.687 16.497 28.715) 33.785 2.885 ( -11.990 15.987 32.983) 38.564 3.205 ( -0.630 -0.300 3.752) 3.816 3.511 ( -3.604 8.076 10.149) 13.461 4.364 ( -8.830 14.599 3.708) 17.460 4.742 ( -9.571 13.856 -8.615) 18.916 4.812 ( -11.380 16.418 -41.320) 45.895 5.058 ( -14.716 32.943 36.823) 51.553 6.673 ( -0.505 -2.588 1.314) 2.946 6.835 ( 14.935 -6.767 4.075) 16.895 6.909 ( 5.034 -5.441 7.582) 10.603 6.963 ( 2.464 -4.968 -2.568) 6.111 7.074 ( 5.375 -18.972 3.320) 19.997 7.217 ( 10.151 -9.121 -7.025) 15.349 7.421 ( 5.224 -20.125 -7.861) 22.228 7.538 ( 4.174 -20.560 -5.727) 21.747 7.679 ( -7.416 -1.051 -10.928) 13.249 7.971 ( 21.259 -18.241 -4.236) 28.330 8.163 ( 10.186 -11.947 -3.479) 16.081 8.206 ( -5.805 -8.697 -4.149) 11.249 8.330 ( 9.140 -8.473 3.144) 12.854 8.549 ( 8.141 -6.404 -2.147) 10.578 8.724 ( 2.778 -12.670 -2.341) 13.181 8.766 ( 13.925 -6.061 4.092) 15.728 8.875 ( 5.003 -4.433 3.603) 7.593 9.075 ( 8.784 -5.646 -5.275) 11.699 9.121 ( -0.559 -4.077 2.610) 4.873 9.364 ( 4.334 1.788 3.694) 5.969 9.413 ( -3.603 4.392 3.943) 6.915 9.526 ( -13.915 -4.596 -4.124) 15.224 9.734 ( 6.941 -5.484 3.408) 9.479 9.816 ( -0.881 -6.078 9.861) 11.618 9.969 ( 0.373 -5.140 -2.983) 5.954 10.091 ( -4.643 -9.281 -4.707) 11.395 10.171 ( -5.300 -9.744 -4.296) 11.895 10.424 ( 8.511 -0.485 0.882) 8.570 10.629 ( 1.567 9.108 3.698) 9.954 10.703 ( 0.998 3.965 6.360) 7.560 10.855 ( 3.343 2.676 -8.633) 9.637 10.897 ( -2.107 2.381 -3.037) 4.397 11.030 ( -0.458 -2.245 -3.517) 4.197 11.159 ( 0.603 2.977 -7.210) 7.824 11.189 ( 4.350 4.464 4.853) 7.900 11.321 ( -2.207 5.562 -4.917) 7.745 11.460 ( 6.731 -4.533 0.993) 8.176 11.611 ( 6.423 -3.985 -2.251) 7.887 11.818 ( 6.227 1.466 3.737) 7.409 12.020 ( -2.309 -4.356 -6.715) 8.331 12.106 ( 1.357 -0.032 -0.328) 1.397 12.174 ( -0.456 1.026 1.783) 2.107 12.266 ( 3.803 8.412 1.729) 9.392 12.397 ( -20.956 2.092 2.395) 21.196 12.541 ( -2.547 -0.822 3.530) 4.430 12.648 ( 2.401 13.101 3.420) 13.752 12.665 ( -1.641 -3.562 4.306) 5.824 12.761 ( -10.277 3.617 -5.310) 12.120 13.023 ( 2.028 -3.101 -8.971) 9.706 13.249 ( 0.038 -9.382 7.795) 12.198 13.390 ( 5.535 -3.970 -5.050) 8.479 13.558 ( -0.683 -9.532 5.185) 10.872 13.697 ( -5.304 -7.619 2.090) 9.515 13.891 ( -4.912 -1.474 7.695) 9.247 13.914 ( -0.892 -1.516 -0.842) 1.949 14.034 ( 8.159 5.543 -1.335) 9.954 14.176 ( 2.869 -3.510 -1.419) 4.750 14.244 ( -0.672 1.831 -5.286) 5.634 14.388 ( -1.928 8.665 0.609) 8.897 14.436 ( 9.052 2.741 4.653) 10.540 14.601 ( -6.849 -6.413 9.243) 13.171 14.701 ( -10.809 0.536 1.792) 10.970 14.781 ( 5.366 1.613 -9.453) 10.988 14.903 ( -1.473 5.325 3.050) 6.311 15.051 ( 3.444 9.693 7.289) 12.607 15.333 ( -0.610 7.970 -4.285) 9.070 15.377 ( -6.235 2.938 3.205) 7.601 15.419 ( 4.514 -0.509 6.244) 7.722 15.621 ( 4.027 10.879 -0.188) 11.602 15.749 ( -5.057 0.110 3.469) 6.134 15.836 ( -8.472 2.929 -8.545) 12.385 15.955 ( -2.336 9.405 1.422) 9.794 16.223 ( 12.130 -4.874 -6.517) 14.607 16.388 ( -5.267 9.816 -3.104) 11.564 16.472 ( -2.438 0.448 -3.413) 4.218 16.545 ( -3.340 10.210 4.455) 11.629 16.612 ( 3.392 7.324 3.014) 8.616 16.751 ( -10.910 6.545 -3.793) 13.276 17.038 ( -5.356 4.302 2.952) 7.477 17.083 ( -13.074 -1.908 -3.174) 13.588 17.285 ( -12.448 6.113 0.872) 13.895 17.403 ( -1.846 6.042 -5.777) 8.561 17.451 ( 2.630 2.443 -8.211) 8.961 17.647 ( 7.905 2.401 5.158) 9.740 17.952 ( -6.295 0.555 2.680) 6.864 18.058 ( -0.208 4.538 -0.723) 4.600 18.272 ( -6.471 1.773 -1.381) 6.850 18.437 ( 3.496 2.345 4.303) 6.019 18.486 ( -5.245 5.231 3.196) 8.067 18.917 ( 2.422 -8.289 -5.537) 10.259 19.220 ( 2.317 -4.115 -0.317) 4.734 19.369 ( -0.722 -0.237 -4.998) 5.055 19.480 ( 1.819 -1.780 -0.301) 2.563 19.627 ( 0.384 1.866 0.286) 1.927 19.894 ( 2.466 -1.214 -2.879) 3.981 20.213 ( -4.637 4.468 4.803) 8.034 20.473 ( 5.295 -0.212 4.905) 7.221 20.876 ( 0.916 -0.325 -0.776) 1.244 21.045 ( 0.816 -7.442 2.492) 7.891 21.157 ( 4.820 4.787 0.981) 6.863 21.271 ( -2.299 -2.336 -2.074) 3.879 21.423 ( -2.603 4.750 -1.397) 5.593 21.574 ( -1.382 2.292 2.286) 3.520 22.335 ( 3.394 1.023 8.858) 9.541 22.363 ( -1.979 -1.081 7.650) 7.975 22.959 ( 4.015 -2.172 -7.884) 9.110 23.163 ( 6.401 -12.813 -7.202) 16.032 23.492 ( 2.639 -7.431 -1.901) 8.112 23.708 ( -1.453 -0.395 5.430) 5.635 23.851 ( 0.707 3.398 0.585) 3.520 24.021 ( -5.882 4.291 -0.986) 7.348 24.164 ( -9.000 0.111 -3.773) 9.760 24.254 ( 5.438 10.719 -3.728) 12.584 24.327 ( -4.636 9.829 2.537) 11.159 24.579 ( -2.460 2.591 4.610) 5.833 25.266 ( -0.966 -2.966 3.611) 4.772 25.647 ( 13.711 -24.301 8.309) 29.113 26.075 ( 0.755 -3.159 -6.810) 7.545 26.788 ( 4.669 -5.003 5.520) 8.792 27.408 ( 10.612 -18.710 4.928) 22.067 27.857 ( 3.255 -5.436 -0.170) 6.338 28.102 ( -3.263 4.944 -1.050) 6.016 28.879 ( -0.946 1.285 -0.605) 1.706 29.894 ( -11.115 18.697 -18.321) 28.439 ======================= Grid point 180 (51/68) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -2.310 4.315 8.962) 10.211 2.993 ( -1.216 -4.895 1.121) 5.167 3.575 ( -21.598 23.951 23.440) 39.869 3.842 ( -19.626 19.668 18.214) 33.223 4.392 ( 2.705 -1.274 6.385) 7.050 5.157 ( -8.490 21.699 -34.194) 41.378 5.304 ( -21.533 23.945 -24.509) 40.469 5.749 ( -14.686 21.986 31.720) 41.294 6.198 ( 32.764 -15.990 3.805) 36.655 6.578 ( 9.031 -16.062 5.145) 19.132 6.697 ( 1.564 -8.971 11.141) 14.389 6.788 ( -0.804 -3.377 1.650) 3.844 6.868 ( 2.282 -18.259 -3.201) 18.677 7.092 ( 1.833 -11.053 -5.433) 12.452 7.171 ( 4.823 -8.964 -1.468) 10.285 7.357 ( 4.028 -4.446 -2.943) 6.682 7.606 ( 9.604 4.185 3.511) 11.049 7.679 ( 7.546 -8.914 -5.366) 12.853 7.899 ( -0.994 -0.185 -4.730) 4.837 8.096 ( 10.804 -10.295 4.365) 15.549 8.218 ( 0.550 -12.702 -14.592) 19.354 8.290 ( 12.940 -3.258 -0.010) 13.344 8.465 ( 8.213 -9.747 -2.277) 12.948 8.628 ( -4.823 -0.529 1.095) 4.974 8.760 ( 4.655 6.518 -0.193) 8.012 9.014 ( -1.740 -6.154 2.974) 7.053 9.064 ( 3.910 -3.475 4.772) 7.081 9.263 ( 8.780 -0.729 -4.035) 9.691 9.435 ( 0.939 -3.235 6.657) 7.460 9.572 ( -2.513 -12.898 -1.750) 13.257 9.604 ( 2.746 3.505 4.566) 6.378 9.711 ( 9.664 -5.492 5.399) 12.357 9.911 ( 0.719 -3.478 -2.646) 4.429 10.083 ( -3.967 -7.551 1.007) 8.589 10.169 ( -0.100 -1.742 -4.627) 4.945 10.378 ( -9.115 -5.375 -2.732) 10.929 10.472 ( 11.429 -4.901 0.672) 12.454 10.656 ( 10.484 -6.092 9.127) 15.177 10.817 ( 6.851 5.108 -3.223) 9.133 10.854 ( 2.700 1.049 4.134) 5.048 11.006 ( 2.445 -7.026 -5.639) 9.335 11.107 ( 12.167 -3.649 7.255) 14.628 11.149 ( 4.192 -3.868 1.722) 5.958 11.288 ( -4.464 4.470 3.902) 7.425 11.449 ( 10.458 5.577 -9.896) 15.440 11.498 ( -12.628 -5.598 -3.086) 14.153 11.799 ( 3.720 -0.046 0.244) 3.728 11.996 ( -3.647 6.085 -5.902) 9.228 12.087 ( -1.361 4.031 -4.869) 6.466 12.266 ( -6.685 -1.625 6.000) 9.129 12.356 ( -3.560 2.488 1.869) 4.728 12.514 ( 4.154 -8.678 7.221) 12.029 12.561 ( -3.361 -6.241 -0.638) 7.117 12.641 ( 2.653 -3.370 -3.015) 5.243 12.776 ( -9.323 -3.109 -3.065) 10.295 12.851 ( 4.162 6.813 1.655) 8.154 13.051 ( -3.863 8.018 2.914) 9.365 13.199 ( -5.710 -1.026 -6.314) 8.575 13.331 ( 0.385 1.050 -3.935) 4.091 13.574 ( -5.108 1.170 -0.773) 5.297 13.737 ( -2.633 -0.608 -5.329) 5.975 13.860 ( 6.984 -4.208 -10.232) 13.083 13.939 ( -2.808 -7.978 0.234) 8.461 14.015 ( -3.514 0.884 7.761) 8.565 14.135 ( -0.384 6.240 -0.974) 6.327 14.259 ( 1.201 0.162 -0.906) 1.513 14.364 ( 0.138 0.248 -10.451) 10.455 14.453 ( -0.254 -3.373 8.314) 8.976 14.599 ( 1.182 10.597 -3.760) 11.306 14.819 ( 2.028 14.076 11.569) 18.333 14.968 ( -5.264 2.739 3.998) 7.155 14.998 ( 3.239 1.963 8.701) 9.490 15.095 ( -11.699 0.801 -0.865) 11.758 15.242 ( 7.417 -1.443 0.819) 7.600 15.466 ( -3.217 -6.571 -1.059) 7.393 15.516 ( -2.938 14.904 -6.803) 16.645 15.658 ( 0.330 5.996 5.402) 8.078 15.756 ( -1.999 -0.391 2.343) 3.104 15.924 ( 1.767 -3.221 0.583) 3.720 16.009 ( -1.013 -3.395 0.441) 3.571 16.132 ( -4.133 4.101 -18.298) 19.202 16.469 ( 5.169 13.101 -2.971) 14.394 16.631 ( -10.093 -0.575 11.516) 15.324 16.680 ( -0.879 16.272 5.645) 17.245 16.785 ( -8.438 8.962 5.808) 13.610 17.000 ( -8.626 6.096 -4.856) 11.625 17.155 ( 1.589 -4.597 7.090) 8.598 17.201 ( -3.088 2.914 -6.414) 7.692 17.292 ( -2.960 -5.379 -11.025) 12.619 17.414 ( -5.486 0.747 -0.008) 5.537 17.533 ( 5.563 5.144 3.697) 8.431 17.827 ( -8.832 12.093 -7.032) 16.544 18.007 ( 2.392 7.968 11.992) 14.595 18.131 ( -2.177 -0.369 -1.393) 2.611 18.330 ( -8.102 -5.633 1.047) 9.923 18.410 ( -3.190 -1.768 3.858) 5.309 18.679 ( -4.882 2.216 -3.209) 6.248 18.772 ( 4.016 -8.227 -3.401) 9.766 19.159 ( -0.941 0.262 -0.039) 0.978 19.369 ( 1.695 2.026 -0.451) 2.679 19.440 ( 0.978 -0.244 -5.824) 5.910 19.650 ( 0.804 3.226 1.978) 3.868 19.862 ( 0.207 -0.918 -3.751) 3.867 20.266 ( 1.356 -1.138 3.558) 3.974 20.388 ( 5.007 2.252 6.327) 8.377 20.857 ( 0.528 -2.582 2.474) 3.615 20.977 ( -2.816 -7.405 0.177) 7.924 21.155 ( 2.604 8.167 1.691) 8.737 21.254 ( -0.601 -4.640 -3.044) 5.582 21.509 ( 0.781 6.468 -1.174) 6.620 21.651 ( -7.295 0.527 0.857) 7.364 22.252 ( 7.503 0.692 5.756) 9.482 22.387 ( -2.808 -2.058 12.626) 13.097 22.815 ( 7.238 -8.119 -4.556) 11.792 22.985 ( 3.130 -1.452 -12.357) 12.830 23.348 ( 5.864 -6.405 -2.707) 9.096 23.743 ( -2.479 -1.445 2.479) 3.792 23.907 ( -2.313 4.220 1.953) 5.194 24.142 ( -2.319 0.813 -0.033) 2.458 24.228 ( -2.871 2.567 -4.090) 5.618 24.340 ( -4.858 3.088 -2.689) 6.353 24.482 ( -1.582 9.319 -0.975) 9.502 24.633 ( 0.959 0.904 10.882) 10.962 25.107 ( 6.670 -12.653 0.407) 14.309 25.449 ( -2.999 2.375 4.996) 6.293 26.049 ( 0.180 -2.783 -4.691) 5.458 26.635 ( 8.009 -4.583 7.299) 11.765 27.036 ( 10.611 -14.644 -1.220) 18.126 27.766 ( -0.686 -8.214 -0.209) 8.245 28.186 ( 2.969 11.329 -1.253) 11.778 28.909 ( -2.777 -1.799 -0.991) 3.454 30.156 ( -5.644 5.892 -12.840) 15.213 ======================= Grid point 181 (52/68) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 3.980 9.512 10.856) 14.972 2.903 ( -1.741 -5.627 0.980) 5.971 3.539 ( -11.495 26.955 20.242) 35.615 3.860 ( -7.548 27.777 18.438) 34.183 4.414 ( 1.702 -0.360 6.724) 6.946 5.164 ( -16.854 18.073 -26.924) 36.546 5.280 ( -9.172 29.188 -26.336) 40.369 5.789 ( -8.976 29.195 30.786) 43.367 6.332 ( 1.163 -33.715 5.689) 34.212 6.455 ( 7.147 -26.011 0.850) 26.989 6.720 ( 1.602 -4.413 5.415) 7.166 6.787 ( 10.216 -2.864 -2.377) 10.873 6.821 ( 15.977 -9.662 1.767) 18.755 7.064 ( 6.439 -10.359 -7.851) 14.506 7.134 ( 0.400 -7.710 1.850) 7.938 7.341 ( -7.828 -2.536 -1.361) 8.340 7.661 ( 5.228 -12.066 -2.522) 13.390 7.723 ( 15.285 -17.541 0.983) 23.287 7.833 ( -11.176 14.379 -5.403) 18.996 8.086 ( 8.361 -7.987 -0.441) 11.571 8.257 ( -4.272 -4.252 1.431) 6.195 8.396 ( 0.193 -14.323 -3.005) 14.637 8.466 ( 7.873 -4.042 -6.735) 11.122 8.584 ( 4.425 -10.904 2.138) 11.960 8.802 ( -11.025 -5.640 -1.912) 12.531 8.934 ( 13.641 -7.174 -0.004) 15.412 9.022 ( -0.550 -4.295 1.517) 4.588 9.233 ( -3.888 -11.323 -0.043) 11.972 9.485 ( 9.156 -4.116 7.537) 12.553 9.517 ( 6.633 3.126 3.100) 7.961 9.601 ( -6.015 -1.502 -0.429) 6.214 9.706 ( -3.958 -6.546 2.262) 7.977 9.892 ( 2.580 3.413 -4.966) 6.555 9.936 ( -4.550 -6.598 -4.015) 8.964 10.175 ( 1.889 5.022 8.960) 10.444 10.424 ( 4.278 0.468 -0.600) 4.345 10.527 ( 5.559 -12.501 8.200) 15.951 10.701 ( -11.022 -12.105 -1.703) 16.460 10.796 ( 10.224 -6.315 0.961) 12.055 10.891 ( -5.914 -2.251 2.559) 6.826 10.961 ( 1.352 -1.512 -4.969) 5.368 11.047 ( 2.543 -7.168 -0.319) 7.613 11.280 ( 11.647 -8.467 3.123) 14.734 11.386 ( 4.357 3.476 -0.743) 5.623 11.556 ( 4.661 7.806 -0.542) 9.108 11.641 ( 0.832 5.184 -4.560) 6.954 11.734 ( 2.770 -4.426 -4.742) 7.053 12.000 ( -8.364 1.177 -7.245) 11.128 12.117 ( 4.894 6.200 4.714) 9.199 12.219 ( 1.321 -5.731 -2.879) 6.549 12.373 ( 0.883 8.818 1.547) 8.996 12.429 ( -0.931 -4.575 1.593) 4.933 12.469 ( 4.323 8.318 1.957) 9.576 12.715 ( 3.864 -6.024 -0.021) 7.157 12.759 ( 2.807 4.793 -1.402) 5.729 12.846 ( -8.772 -1.955 1.147) 9.061 13.006 ( -10.498 -1.585 -12.413) 16.334 13.126 ( -2.637 11.735 5.731) 13.323 13.328 ( 4.152 -5.699 3.092) 7.699 13.496 ( -4.335 -0.525 -6.624) 7.934 13.612 ( 1.139 -3.664 -1.850) 4.260 13.812 ( -4.498 0.362 8.928) 10.004 13.870 ( -4.953 -0.055 -2.886) 5.733 14.063 ( 2.955 0.874 3.858) 4.938 14.162 ( -2.565 1.659 -6.066) 6.792 14.303 ( 12.341 -0.046 -4.993) 13.313 14.447 ( 0.699 2.130 0.059) 2.242 14.513 ( -6.281 0.509 3.898) 7.410 14.656 ( -4.758 3.351 -5.186) 7.795 14.771 ( -12.490 6.315 11.689) 18.235 14.850 ( 2.890 8.529 -3.764) 9.760 15.037 ( -0.222 1.402 -2.520) 2.892 15.160 ( 2.386 1.084 4.131) 4.892 15.248 ( 0.770 1.091 8.334) 8.440 15.496 ( 6.140 5.761 1.386) 8.533 15.574 ( -2.055 0.052 -8.399) 8.647 15.765 ( 1.578 1.076 1.791) 2.618 15.819 ( 2.628 8.786 7.333) 11.742 15.889 ( -3.053 2.881 -13.245) 13.895 16.030 ( 2.007 2.943 3.284) 4.845 16.154 ( 6.465 -1.570 -13.401) 14.961 16.365 ( -9.709 -4.967 8.579) 13.876 16.640 ( -1.658 10.792 -2.389) 11.177 16.711 ( -5.780 6.191 5.980) 10.368 16.812 ( -8.335 5.897 -1.036) 10.263 16.932 ( -10.722 8.448 -0.342) 13.655 17.032 ( -3.561 0.434 0.267) 3.597 17.044 ( -4.790 2.933 7.111) 9.061 17.309 ( 3.532 1.439 -3.527) 5.195 17.488 ( 1.497 3.919 1.794) 4.562 17.678 ( 0.371 -0.763 -3.106) 3.220 17.800 ( -5.668 20.053 -3.210) 21.084 18.004 ( -6.361 2.958 2.323) 7.390 18.088 ( 1.183 -1.581 0.770) 2.120 18.315 ( 6.147 6.003 1.924) 8.805 18.463 ( 6.775 1.492 3.736) 7.879 18.597 ( -6.957 2.046 2.256) 7.595 18.752 ( 2.643 -6.727 -5.661) 9.181 19.131 ( 0.329 -2.995 2.225) 3.746 19.379 ( -2.007 0.450 -5.010) 5.415 19.458 ( -1.745 -0.361 0.227) 1.796 19.659 ( 0.385 0.903 -1.746) 2.003 19.873 ( 1.626 -0.942 -1.505) 2.408 20.270 ( -1.085 1.327 3.065) 3.512 20.475 ( 2.271 -0.721 0.871) 2.537 20.813 ( 2.876 -7.133 4.633) 8.978 20.963 ( 2.781 1.391 1.308) 3.373 21.188 ( -0.619 -3.844 -3.579) 5.289 21.304 ( 2.752 7.105 -1.357) 7.739 21.516 ( -6.633 2.385 0.899) 7.106 21.607 ( 2.522 3.455 0.305) 4.288 22.300 ( -1.832 -5.740 11.677) 13.140 22.362 ( 2.681 1.718 5.772) 6.592 22.852 ( 6.453 -11.636 -4.893) 14.177 22.978 ( -0.547 -0.788 -12.404) 12.441 23.320 ( -0.538 -9.412 -1.732) 9.586 23.722 ( 1.409 1.208 2.300) 2.955 23.959 ( 1.456 6.761 1.182) 7.017 24.050 ( -5.679 -0.226 0.363) 5.695 24.209 ( -2.230 3.702 -2.518) 5.002 24.395 ( 3.275 3.295 -2.956) 5.506 24.528 ( -3.096 8.844 -4.066) 10.215 24.658 ( -1.843 4.443 12.427) 13.325 25.008 ( 1.419 -17.243 2.623) 17.499 25.465 ( 0.416 3.615 4.532) 5.812 26.010 ( -0.323 -4.428 -3.041) 5.382 26.708 ( 4.674 -3.068 5.532) 7.865 27.007 ( 5.892 -19.965 -1.233) 20.853 27.767 ( 7.584 -3.520 -0.127) 8.362 28.181 ( -11.650 2.979 -1.312) 12.097 28.908 ( 2.741 1.575 -0.905) 3.288 30.151 ( -2.691 7.720 -12.641) 15.055 ======================= Grid point 189 (53/68) ======================= q-point: (-0.38 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.932 1.546 1.957) 2.662 2.982 ( -2.226 -4.270 -0.015) 4.815 4.093 ( -8.932 5.859 8.662) 13.753 4.435 ( -7.785 19.068 10.690) 23.205 4.509 ( -25.722 20.831 17.857) 37.609 5.329 ( 19.847 4.471 -4.345) 20.803 5.446 ( 23.902 -11.292 3.639) 26.685 5.750 ( -2.112 6.375 -1.992) 7.005 5.865 ( -8.483 9.295 -17.193) 21.307 6.355 ( -10.767 -22.472 4.817) 25.379 6.575 ( 13.456 -5.784 -11.750) 18.778 6.715 ( 9.576 -8.704 -5.363) 14.008 6.836 ( -11.092 -12.758 -7.094) 18.333 6.916 ( -4.386 -18.491 0.978) 19.029 7.260 ( 2.307 -4.276 0.043) 4.859 7.289 ( -12.339 7.707 6.918) 16.109 7.491 ( 1.398 10.326 1.372) 10.510 7.630 ( 4.152 12.147 2.146) 13.015 7.872 ( -3.308 -6.963 2.319) 8.050 7.992 ( 7.930 6.401 9.893) 14.203 8.045 ( -3.478 -13.191 -8.937) 16.309 8.170 ( 8.099 -0.683 2.426) 8.482 8.397 ( -2.968 15.545 4.932) 16.576 8.584 ( 7.264 2.550 -0.325) 7.705 8.726 ( 11.570 1.582 -7.355) 13.801 8.864 ( 8.743 -4.708 -0.804) 9.963 8.991 ( 6.347 -2.715 3.545) 7.760 9.210 ( -6.813 9.219 -3.207) 11.904 9.398 ( 4.478 -2.764 7.042) 8.791 9.468 ( -0.507 -0.854 7.998) 8.060 9.569 ( -6.900 -6.867 6.329) 11.611 9.693 ( 5.413 1.404 6.005) 8.206 9.807 ( 2.436 -3.199 2.839) 4.923 9.939 ( 3.267 -13.332 1.081) 13.769 10.101 ( 3.458 -13.575 2.384) 14.210 10.347 ( -3.460 1.014 1.056) 3.757 10.418 ( -6.111 -3.340 1.997) 7.245 10.554 ( 0.230 -6.944 -1.240) 7.058 10.639 ( 7.323 -1.416 -4.818) 8.879 10.721 ( 8.167 -4.630 -1.172) 9.461 10.909 ( 5.114 4.291 0.493) 6.694 10.921 ( 1.784 2.572 -1.995) 3.711 11.213 ( -2.142 -5.375 -6.801) 8.930 11.297 ( -3.396 4.491 5.118) 7.609 11.487 ( -6.068 -1.237 -0.494) 6.213 11.676 ( -11.424 -1.632 -1.898) 11.695 11.775 ( 3.077 5.005 0.986) 5.957 11.962 ( -1.902 -10.558 -6.298) 12.440 12.220 ( 4.425 -10.188 3.693) 11.706 12.298 ( -4.220 0.885 -6.866) 8.108 12.409 ( -5.466 -4.444 2.081) 7.346 12.486 ( -4.028 1.528 3.500) 5.551 12.523 ( -4.283 2.454 1.722) 5.228 12.606 ( -1.340 -4.670 -2.473) 5.451 12.786 ( 1.771 -6.974 4.681) 8.584 12.824 ( -3.167 -3.509 -11.497) 12.431 13.152 ( 0.251 8.504 2.837) 8.968 13.245 ( 6.651 7.112 -3.211) 10.253 13.425 ( -0.688 3.374 -5.210) 6.245 13.532 ( 17.626 1.612 -7.625) 19.272 13.796 ( 2.729 -9.914 4.956) 11.415 13.833 ( -12.982 5.814 -3.200) 14.580 13.938 ( -1.275 -0.687 -0.169) 1.458 14.033 ( -4.977 6.354 0.535) 8.089 14.133 ( 1.124 -5.870 -7.496) 9.587 14.275 ( -2.574 7.935 -2.368) 8.671 14.353 ( -1.638 -6.223 -1.545) 6.617 14.533 ( 6.612 7.776 -5.251) 11.478 14.617 ( -4.271 1.486 2.131) 5.000 14.896 ( 9.152 1.193 2.070) 9.459 14.948 ( 1.687 -0.230 4.707) 5.005 14.979 ( 2.721 17.063 0.075) 17.279 15.178 ( -1.676 -8.831 6.620) 11.164 15.251 ( -0.835 10.851 1.450) 10.979 15.453 ( -4.122 -2.996 2.715) 5.773 15.698 ( -3.372 8.199 -10.274) 13.570 15.747 ( -3.373 1.544 11.589) 12.169 15.824 ( 0.485 3.093 0.421) 3.159 15.857 ( 0.354 -3.458 0.682) 3.542 15.979 ( -6.771 -8.266 -5.460) 11.999 16.231 ( -2.686 -3.809 -16.415) 17.063 16.523 ( 5.826 17.093 -0.014) 18.058 16.676 ( 3.184 -0.989 12.939) 13.361 16.878 ( -2.002 4.543 -2.651) 5.628 16.930 ( 1.630 4.104 3.753) 5.795 16.991 ( 6.424 7.374 11.344) 14.977 17.161 ( -3.283 -0.852 -10.858) 11.376 17.239 ( -4.318 -3.199 3.726) 6.539 17.364 ( -0.445 3.511 1.632) 3.897 17.512 ( -5.934 -2.482 -3.031) 7.110 17.532 ( -2.593 -0.713 6.243) 6.798 17.903 ( 1.224 5.337 -2.825) 6.161 17.970 ( 7.105 3.147 -1.896) 7.998 18.276 ( -6.601 6.599 5.017) 10.597 18.420 ( -7.649 -7.807 2.855) 11.296 18.491 ( -4.060 -1.448 -2.905) 5.198 18.591 ( 5.193 -5.247 -0.285) 7.388 18.696 ( -0.567 -4.645 1.802) 5.014 19.243 ( -0.801 3.978 -1.040) 4.189 19.330 ( 4.021 0.612 -4.318) 5.932 19.483 ( -6.119 -0.614 -3.328) 6.992 19.621 ( 5.758 2.974 2.631) 6.995 19.876 ( -2.158 -0.896 -1.762) 2.927 20.225 ( -0.089 1.941 3.542) 4.040 20.332 ( 3.141 0.763 3.938) 5.095 20.801 ( -0.560 -8.022 4.027) 8.994 20.995 ( -4.474 -3.240 -2.165) 5.933 21.152 ( 2.628 -1.736 0.300) 3.164 21.291 ( -2.367 8.290 -1.375) 8.730 21.522 ( 1.781 1.357 -0.699) 2.346 21.800 ( -6.662 0.065 0.547) 6.685 22.110 ( 8.530 2.667 2.131) 9.188 22.422 ( -2.353 -0.623 10.502) 10.781 22.631 ( 2.433 -8.019 -1.575) 8.527 23.002 ( -2.287 4.386 -10.513) 11.618 23.179 ( 6.778 -4.525 -4.093) 9.119 23.756 ( -0.577 -1.102 0.830) 1.495 23.984 ( -1.890 3.003 2.353) 4.257 24.142 ( -0.449 -2.099 0.374) 2.179 24.339 ( -3.356 1.173 -3.639) 5.088 24.431 ( -5.100 0.604 -0.769) 5.193 24.485 ( 7.471 0.286 5.743) 9.427 24.618 ( -3.624 -1.191 -2.229) 4.418 24.972 ( 6.597 4.394 2.411) 8.284 25.608 ( -9.475 3.997 6.985) 12.431 25.943 ( 7.011 -8.346 1.746) 11.039 26.501 ( 1.019 0.629 0.575) 1.329 26.801 ( 4.224 -7.755 -3.142) 9.373 27.719 ( -3.821 -8.975 -0.218) 9.757 28.225 ( 7.559 14.777 -1.231) 16.644 28.933 ( -3.506 -4.602 -1.252) 5.919 30.241 ( -1.306 0.903 -9.025) 9.164 ======================= Grid point 190 (54/68) ======================= q-point: (-0.25 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 3.061 2.837 2.469) 4.849 2.894 ( -2.067 -3.399 -0.719) 4.042 4.006 ( -10.675 13.739 9.761) 19.949 4.389 ( -17.189 31.631 16.667) 39.670 4.489 ( -7.235 18.118 12.061) 22.937 5.561 ( -8.781 4.960 -14.227) 17.440 5.699 ( -12.416 9.108 -11.490) 19.213 5.814 ( 13.273 -21.524 9.119) 26.881 5.893 ( 20.198 5.788 -11.326) 23.869 6.046 ( 8.338 -19.277 3.346) 21.268 6.466 ( 0.000 -16.110 1.550) 16.185 6.594 ( -0.566 -10.102 -7.892) 12.832 6.822 ( 8.036 -3.385 5.260) 10.183 6.855 ( 9.125 -12.306 -7.588) 17.096 7.149 ( -6.047 -3.574 -3.553) 7.872 7.275 ( 3.839 0.763 10.215) 10.939 7.553 ( -11.762 11.769 5.857) 17.640 7.744 ( -7.572 0.916 1.403) 7.755 7.868 ( 9.605 -5.108 -7.856) 13.418 7.878 ( 13.139 -7.069 -8.309) 17.078 8.223 ( 3.375 -5.859 8.832) 11.123 8.295 ( 6.822 12.659 -6.561) 15.806 8.392 ( -13.919 9.684 1.774) 17.049 8.616 ( -4.901 1.540 6.875) 8.583 8.871 ( -5.207 -1.958 -4.054) 6.884 8.932 ( -4.211 -9.278 2.451) 10.480 8.968 ( 1.848 5.377 10.006) 11.509 9.260 ( -6.814 -0.926 -3.144) 7.561 9.297 ( 4.483 -4.099 7.580) 9.714 9.396 ( 6.652 -3.676 0.809) 7.643 9.553 ( 7.659 -9.438 4.410) 12.930 9.653 ( 0.450 -1.330 3.252) 3.542 9.854 ( 0.638 -1.635 -2.361) 2.942 9.948 ( 0.123 -5.047 2.214) 5.513 10.175 ( 14.454 -7.393 8.920) 18.524 10.284 ( -3.580 -2.207 -4.749) 6.343 10.338 ( 4.618 -1.046 3.989) 6.191 10.484 ( 6.686 -7.191 -2.212) 10.065 10.764 ( 0.962 -14.212 1.981) 14.381 10.819 ( -1.882 -3.500 -0.032) 3.974 10.924 ( 4.168 -1.519 -7.521) 8.732 11.041 ( 5.526 -3.046 1.335) 6.450 11.082 ( -2.711 -1.448 -1.892) 3.609 11.405 ( 1.361 -0.896 -0.838) 1.832 11.442 ( 10.912 8.949 9.118) 16.801 11.560 ( 2.291 -4.777 -0.622) 5.335 11.710 ( -4.485 1.774 -4.145) 6.360 11.963 ( 5.818 -3.849 3.855) 7.970 12.144 ( 0.567 -8.649 1.494) 8.795 12.158 ( 2.522 -9.209 -4.893) 10.729 12.308 ( -5.555 -4.994 1.924) 7.714 12.350 ( 2.592 -0.654 3.879) 4.711 12.549 ( 3.100 -2.689 0.007) 4.104 12.657 ( -2.753 11.048 -2.071) 11.573 12.772 ( -0.303 10.959 -15.442) 18.938 12.862 ( 2.978 -3.522 0.383) 4.628 13.212 ( -4.468 1.242 -5.499) 7.193 13.324 ( -3.563 2.835 6.020) 7.548 13.401 ( -8.834 9.152 -6.463) 14.267 13.536 ( -9.373 -7.869 6.883) 14.041 13.717 ( -12.398 2.746 -16.741) 21.012 13.809 ( 4.726 -2.219 -0.837) 5.288 13.905 ( 6.988 8.065 -10.231) 14.783 14.022 ( -0.433 -2.286 5.448) 5.924 14.115 ( 3.839 -0.534 -0.752) 3.948 14.271 ( -6.159 4.688 -0.770) 7.778 14.449 ( 4.874 4.013 -10.084) 11.897 14.529 ( 2.540 3.070 -0.793) 4.062 14.810 ( 5.897 -9.081 -6.101) 12.428 14.881 ( 2.690 6.229 9.200) 11.431 14.969 ( -10.793 0.312 6.306) 12.504 15.086 ( 2.393 -4.628 5.533) 7.600 15.149 ( -14.281 8.302 1.918) 16.629 15.235 ( 4.763 9.776 5.349) 12.118 15.487 ( 3.074 6.417 -0.633) 7.144 15.646 ( -7.462 -2.103 -5.851) 9.713 15.743 ( 1.206 1.664 3.128) 3.743 15.831 ( 0.291 4.449 6.364) 7.771 15.896 ( 4.222 -0.337 -8.769) 9.738 15.993 ( 3.738 2.262 0.305) 4.380 16.149 ( -0.482 2.041 -15.965) 16.103 16.473 ( -9.838 -11.712 5.558) 16.274 16.730 ( 2.185 12.144 4.089) 12.999 16.867 ( -5.951 -0.049 7.227) 9.362 17.024 ( -3.981 6.692 7.486) 10.801 17.065 ( -2.883 2.791 8.420) 9.327 17.153 ( 0.289 -3.041 -4.405) 5.361 17.182 ( -4.472 11.396 -1.367) 12.318 17.319 ( -10.493 5.049 -5.323) 12.804 17.488 ( 4.560 3.795 6.149) 8.544 17.553 ( 7.251 -5.040 3.778) 9.605 17.982 ( -0.509 5.935 -7.334) 9.449 18.108 ( 1.434 1.100 0.143) 1.813 18.193 ( -5.386 -6.827 2.084) 8.943 18.240 ( -2.894 8.766 2.932) 9.686 18.425 ( 0.210 2.145 1.156) 2.446 18.628 ( 1.403 -4.938 -0.864) 5.205 18.656 ( 2.019 -2.257 -2.619) 4.004 19.209 ( -7.045 3.335 0.038) 7.795 19.386 ( 1.074 -0.437 -3.481) 3.669 19.444 ( 2.339 0.545 -3.882) 4.565 19.700 ( -1.905 0.926 2.364) 3.174 19.828 ( 1.500 -2.067 0.935) 2.720 20.261 ( 1.462 1.515 1.193) 2.420 20.430 ( 4.045 1.544 2.216) 4.864 20.667 ( 1.287 -11.963 6.381) 13.619 20.969 ( -0.392 3.106 -0.935) 3.267 21.139 ( 0.932 -4.583 -2.976) 5.543 21.366 ( 0.025 9.718 0.302) 9.722 21.579 ( -0.615 -0.953 -0.194) 1.150 21.679 ( -4.425 3.115 -0.126) 5.413 22.271 ( 3.107 -0.386 7.504) 8.131 22.334 ( -1.665 -0.724 3.559) 3.995 22.617 ( 6.858 -10.476 -1.789) 12.648 23.003 ( -1.457 3.089 -10.503) 11.044 23.229 ( 2.697 -5.987 -2.470) 7.016 23.729 ( -0.791 -0.045 2.661) 2.777 24.004 ( 0.182 4.818 0.089) 4.822 24.100 ( -1.396 -2.782 -0.531) 3.158 24.283 ( -3.766 2.888 -3.775) 6.064 24.402 ( -0.586 2.235 -1.592) 2.806 24.577 ( 0.539 -1.214 3.789) 4.015 24.599 ( 6.550 -3.773 1.087) 7.637 25.037 ( -6.958 5.822 4.195) 9.995 25.534 ( -2.644 6.253 5.670) 8.846 25.936 ( 2.628 -8.879 1.426) 9.369 26.571 ( 6.217 -1.150 2.998) 6.997 26.768 ( 3.199 -11.312 -4.896) 12.735 27.639 ( 2.532 -4.375 -0.091) 5.056 28.397 ( -5.607 9.310 -1.589) 10.984 28.848 ( 2.385 -3.946 -1.367) 4.809 30.231 ( -1.302 1.989 -8.792) 9.107 ======================= Grid point 191 (55/68) ======================= q-point: (-0.12 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -1.790 -4.273 1.724) 4.943 2.954 ( 4.867 3.160 0.702) 5.845 4.029 ( -3.831 15.669 9.047) 18.495 4.398 ( -12.475 17.832 7.414) 22.991 4.645 ( -4.228 30.023 19.748) 36.183 5.237 ( -7.650 -18.962 1.036) 20.474 5.484 ( -5.399 -26.104 9.890) 28.432 5.814 ( -2.252 13.969 -16.344) 21.618 5.983 ( -0.403 -11.735 -8.627) 14.570 6.235 ( 1.312 10.776 -12.368) 16.457 6.525 ( 10.435 -13.986 -4.453) 18.009 6.650 ( 17.725 -5.913 -7.073) 19.979 6.875 ( 7.804 -1.077 -2.807) 8.363 6.967 ( 14.991 -7.919 4.724) 17.600 7.143 ( 4.107 7.194 -3.428) 8.965 7.309 ( -7.652 11.106 6.581) 15.007 7.547 ( -2.052 7.569 11.859) 14.217 7.611 ( -4.576 0.096 -0.769) 4.641 7.876 ( -0.890 -12.125 3.116) 12.550 8.010 ( -1.220 -12.720 -0.891) 12.809 8.141 ( 10.957 -9.077 -9.245) 16.968 8.174 ( -11.774 6.177 6.106) 14.631 8.468 ( -11.698 2.947 3.970) 12.700 8.528 ( 3.164 1.913 -4.863) 6.110 8.680 ( -9.801 0.415 -10.693) 14.512 8.847 ( 5.630 -2.314 3.521) 7.032 8.879 ( -12.794 -10.939 12.378) 20.894 9.124 ( -4.478 7.884 0.773) 9.100 9.443 ( 10.340 0.097 4.540) 11.293 9.488 ( -2.441 -8.380 5.518) 10.327 9.581 ( -0.250 -2.477 6.691) 7.139 9.639 ( 7.828 1.331 7.988) 11.263 9.860 ( -0.856 -1.703 -2.943) 3.506 9.992 ( 10.191 4.382 0.180) 11.095 10.137 ( 2.142 -23.197 -1.964) 23.378 10.298 ( -1.787 7.797 1.710) 8.180 10.399 ( 0.977 -3.780 3.811) 5.456 10.532 ( 4.254 -6.275 4.618) 8.876 10.601 ( -3.193 -0.735 -0.455) 3.308 10.785 ( 10.190 -8.380 -6.264) 14.604 10.920 ( -6.056 -2.687 0.335) 6.634 10.940 ( -0.171 -2.342 -2.119) 3.164 11.193 ( 6.827 -0.416 -4.175) 8.013 11.409 ( 0.309 -2.534 4.065) 4.800 11.546 ( 3.348 -2.759 -4.768) 6.446 11.719 ( -0.896 4.673 1.557) 5.007 11.829 ( 8.901 -1.401 5.345) 10.476 11.940 ( -1.793 -1.126 -5.117) 5.538 12.104 ( 5.943 -1.010 -13.375) 14.671 12.269 ( 6.752 3.051 -3.478) 8.185 12.346 ( 9.163 4.803 9.074) 13.761 12.537 ( 15.469 3.707 5.301) 16.767 12.588 ( 3.759 -3.189 4.582) 6.730 12.695 ( -4.736 1.576 0.994) 5.089 12.760 ( -7.174 -6.502 -8.017) 12.571 12.817 ( -1.437 2.662 -10.114) 10.556 13.103 ( -8.003 10.973 -7.926) 15.725 13.218 ( -6.948 0.000 -4.889) 8.496 13.338 ( -3.477 -0.499 5.944) 6.904 13.400 ( -1.898 1.968 2.108) 3.452 13.647 ( 0.729 5.560 -2.303) 6.062 13.869 ( -0.674 3.664 0.586) 3.771 13.936 ( -9.928 0.422 1.401) 10.035 14.076 ( 10.582 4.357 -5.710) 12.789 14.236 ( -4.008 1.675 -3.152) 5.367 14.286 ( 9.891 0.119 -5.374) 11.257 14.454 ( -0.121 -12.119 2.827) 12.445 14.544 ( -20.386 -2.678 5.108) 21.186 14.578 ( 4.669 7.241 0.816) 8.654 14.847 ( -11.148 -2.870 -6.471) 13.205 14.931 ( 2.941 1.665 1.909) 3.881 15.008 ( -9.540 -0.589 -3.142) 10.061 15.178 ( 9.114 0.470 2.480) 9.457 15.392 ( 1.579 2.456 3.166) 4.307 15.425 ( -7.174 -4.745 9.053) 12.488 15.646 ( 4.624 9.036 -7.723) 12.754 15.757 ( -0.315 -0.376 3.468) 3.503 15.851 ( 0.780 -4.193 -3.344) 5.419 15.969 ( -4.026 -1.355 1.405) 4.475 16.032 ( 8.480 -3.193 -9.533) 13.152 16.163 ( 3.356 2.263 -1.827) 4.441 16.424 ( 0.468 12.069 4.264) 12.809 16.693 ( -14.008 -5.250 0.453) 14.966 16.815 ( -14.485 4.725 -6.011) 16.379 16.910 ( -1.755 5.312 2.028) 5.951 16.959 ( -0.737 2.791 15.832) 16.093 17.178 ( -0.923 2.155 3.616) 4.310 17.192 ( -3.384 7.209 0.528) 7.981 17.337 ( 3.601 4.177 -2.828) 6.198 17.531 ( -1.458 -1.238 -0.177) 1.921 17.626 ( 6.789 -3.365 6.818) 10.193 17.931 ( -4.035 -3.605 -9.856) 11.244 18.000 ( -5.029 -3.453 -3.632) 7.100 18.228 ( 0.287 13.881 3.473) 14.312 18.413 ( 8.339 1.752 5.647) 10.223 18.510 ( 2.599 0.095 0.654) 2.681 18.566 ( 0.434 -2.714 3.537) 4.479 18.688 ( 3.052 0.119 -4.979) 5.841 19.149 ( -3.332 5.347 3.107) 7.025 19.365 ( -1.508 -2.229 -4.640) 5.364 19.482 ( -2.602 2.832 1.943) 4.309 19.635 ( 0.307 -3.172 -2.952) 4.344 19.876 ( 2.128 0.998 0.178) 2.357 20.278 ( -1.037 -0.249 0.472) 1.166 20.378 ( -1.814 -8.239 1.576) 8.582 20.741 ( 8.462 1.170 5.392) 10.102 21.016 ( 3.876 1.924 0.382) 4.344 21.117 ( -0.161 -1.799 -3.318) 3.777 21.397 ( -7.797 -0.914 -1.972) 8.094 21.495 ( 2.476 -0.232 1.157) 2.743 21.754 ( 1.309 8.519 0.019) 8.619 22.146 ( -4.485 -8.116 4.867) 10.472 22.409 ( 1.161 2.698 6.594) 7.218 22.646 ( 5.741 -7.241 -1.405) 9.347 23.032 ( 0.785 4.929 -10.156) 11.316 23.140 ( -3.171 -7.939 -3.199) 9.128 23.745 ( 1.293 0.933 0.789) 1.779 24.025 ( -2.140 -0.899 1.189) 2.608 24.101 ( 2.267 4.493 1.002) 5.131 24.282 ( -1.291 4.484 -1.122) 4.799 24.428 ( 0.962 0.889 -1.169) 1.755 24.587 ( 4.659 -8.485 6.208) 11.500 24.641 ( 1.259 0.240 -5.455) 5.603 24.893 ( -11.412 4.010 4.193) 12.802 25.629 ( 1.383 10.896 6.899) 12.970 25.878 ( 1.120 -8.006 2.406) 8.434 26.624 ( 3.223 -9.623 0.742) 10.175 26.728 ( 2.647 -2.139 -4.030) 5.275 27.719 ( 9.736 -1.218 -0.177) 9.814 28.222 ( -16.636 1.126 -1.263) 16.722 28.933 ( 5.609 0.724 -1.205) 5.783 30.238 ( -0.263 1.857 -8.915) 9.110 ======================= Grid point 197 (56/68) ======================= q-point: (-0.38 0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 1.242 4.405 0.238) 4.583 2.888 ( -1.680 -4.799 -0.863) 5.158 4.110 ( 0.367 -0.455 5.066) 5.100 4.842 ( 12.254 16.424 8.629) 22.234 5.008 ( -2.080 18.889 14.102) 23.664 5.257 ( 13.686 -0.202 5.934) 14.918 5.305 ( -1.561 -1.223 12.618) 12.773 5.785 ( -11.143 -21.252 5.223) 24.558 5.971 ( -1.476 -0.504 -6.002) 6.201 6.075 ( -14.672 9.056 -13.996) 22.208 6.348 ( 14.044 -15.834 -17.735) 27.613 6.571 ( -1.105 -5.448 -22.247) 22.931 6.597 ( -8.423 -3.434 4.675) 10.227 6.699 ( -4.301 -1.642 0.494) 4.630 7.037 ( -3.469 -10.634 -0.254) 11.188 7.390 ( 1.719 2.458 0.191) 3.006 7.617 ( -0.857 0.667 -4.913) 5.032 7.747 ( -7.942 -10.837 -14.541) 19.798 7.893 ( 13.515 3.651 6.190) 15.306 7.923 ( -6.025 12.170 6.205) 14.931 8.064 ( 3.233 0.202 10.929) 11.398 8.387 ( 1.342 18.501 1.184) 18.587 8.598 ( 12.696 -3.879 -0.983) 13.311 8.681 ( 5.765 6.041 4.504) 9.488 8.752 ( -8.379 2.335 0.343) 8.705 8.845 ( 4.071 -2.808 -4.819) 6.905 9.118 ( 4.099 18.776 14.597) 24.133 9.231 ( 1.166 -6.796 4.259) 8.104 9.345 ( -13.956 -7.149 -1.129) 15.721 9.400 ( -3.806 -8.908 7.782) 12.426 9.536 ( 12.678 4.168 11.206) 17.426 9.548 ( 10.523 -1.204 13.737) 17.346 9.778 ( -15.895 -4.735 2.090) 16.716 9.874 ( -1.750 1.314 -0.154) 2.194 9.898 ( -2.287 0.535 0.881) 2.509 10.301 ( -2.721 -7.173 0.632) 7.698 10.380 ( -5.022 -2.079 1.953) 5.776 10.406 ( -0.450 -6.682 0.215) 6.701 10.644 ( 8.584 4.580 -6.049) 11.457 10.726 ( 0.869 4.734 -4.127) 6.341 10.907 ( -3.086 -3.797 -7.695) 9.119 10.989 ( -0.081 1.426 -0.878) 1.677 11.069 ( -3.363 -6.857 -3.694) 8.483 11.386 ( -0.583 5.173 3.058) 6.038 11.425 ( -2.019 -2.937 0.524) 3.602 11.582 ( -6.937 -12.868 7.241) 16.314 11.816 ( -0.001 3.649 3.763) 5.242 11.918 ( -9.101 4.409 -0.528) 10.127 11.945 ( 7.164 -12.218 -3.043) 14.486 12.053 ( -4.667 -8.545 -2.794) 10.130 12.261 ( -2.303 -8.197 3.908) 9.369 12.427 ( 0.580 -0.176 -0.757) 0.970 12.560 ( -1.512 5.559 -1.990) 6.095 12.713 ( 5.015 -4.492 2.200) 7.083 12.757 ( -5.675 -2.743 -7.461) 9.767 12.967 ( 2.990 18.214 -9.651) 20.829 13.237 ( 0.603 -3.854 -11.408) 12.057 13.377 ( 0.646 5.486 10.410) 11.785 13.431 ( 9.361 -2.949 -3.839) 10.538 13.495 ( 0.243 -0.756 5.021) 5.083 13.742 ( 3.948 6.635 -9.055) 11.900 13.870 ( 3.657 -1.151 -3.744) 5.359 13.945 ( -6.391 0.560 -9.454) 11.425 14.007 ( -0.546 -4.666 -5.786) 7.453 14.254 ( 4.265 4.979 -2.375) 6.973 14.318 ( -5.378 5.188 1.174) 7.564 14.380 ( 3.278 5.628 -6.281) 9.048 14.509 ( 0.123 -5.170 -0.134) 5.173 14.671 ( -9.646 -13.838 -6.154) 17.955 14.889 ( 3.184 10.622 3.873) 11.746 15.003 ( 4.293 3.512 3.953) 6.811 15.045 ( 0.371 -3.456 4.942) 6.042 15.243 ( 2.948 4.231 -1.695) 5.429 15.452 ( 6.167 2.708 3.924) 7.795 15.504 ( -4.273 13.351 9.255) 16.798 15.659 ( 5.011 -7.067 1.146) 8.739 15.721 ( -3.098 -2.266 -0.443) 3.864 15.867 ( 0.442 -0.125 -4.358) 4.382 15.876 ( -0.843 3.699 -1.139) 3.961 15.993 ( -3.463 -3.077 -3.485) 5.797 16.159 ( 1.121 6.832 -11.884) 13.754 16.425 ( -0.890 -14.562 1.632) 14.680 16.800 ( 1.393 9.886 3.209) 10.486 16.954 ( -4.052 -1.706 5.783) 7.265 16.961 ( 4.584 -6.076 5.972) 9.675 17.120 ( 3.830 7.608 4.784) 9.770 17.196 ( 4.524 7.605 3.630) 9.564 17.340 ( 0.652 7.525 4.760) 8.928 17.401 ( 2.325 -1.540 0.147) 2.793 17.426 ( -0.486 -4.163 7.717) 8.781 17.510 ( -4.812 -2.062 -2.237) 5.693 18.007 ( 2.928 1.840 -2.553) 4.299 18.070 ( -0.169 9.414 -1.911) 9.607 18.218 ( -0.988 -8.707 5.588) 10.393 18.346 ( -0.252 1.352 -2.780) 3.102 18.437 ( -1.728 -4.396 -1.400) 4.926 18.514 ( -2.163 -5.325 3.938) 6.967 18.688 ( 0.784 3.683 -7.075) 8.015 19.284 ( 5.218 1.594 -0.097) 5.457 19.350 ( -2.114 0.409 -4.209) 4.728 19.449 ( -2.151 -2.036 -3.970) 4.953 19.697 ( 3.095 4.453 3.739) 6.587 19.809 ( -2.708 -4.628 2.714) 6.010 20.317 ( 1.392 3.065 -2.441) 4.158 20.370 ( 0.086 5.698 5.717) 8.072 20.567 ( -4.138 -12.125 5.849) 14.084 21.012 ( 0.392 2.445 -1.782) 3.050 21.085 ( -0.742 -3.157 -2.742) 4.247 21.469 ( -1.763 3.567 1.298) 4.186 21.551 ( 5.831 5.499 -1.024) 8.080 21.728 ( -2.858 -6.287 0.772) 6.949 22.231 ( 4.273 8.484 0.973) 9.549 22.400 ( -0.573 -2.525 5.320) 5.917 22.453 ( -5.362 -7.939 -0.802) 9.613 23.072 ( 0.638 2.056 -7.548) 7.849 23.133 ( 0.265 -0.643 -3.420) 3.490 23.734 ( -0.201 -0.796 2.486) 2.618 24.043 ( -0.382 2.245 -0.182) 2.285 24.081 ( -0.136 -2.601 -1.374) 2.945 24.346 ( 2.110 0.387 -2.015) 2.943 24.440 ( 2.103 -1.418 -0.200) 2.544 24.455 ( -4.717 -0.010 0.892) 4.801 24.597 ( -1.048 -1.114 -1.433) 2.096 25.138 ( 5.592 8.181 6.575) 11.893 25.666 ( -1.461 0.474 6.421) 6.602 25.771 ( -1.116 -5.789 4.771) 7.584 26.551 ( -1.158 3.436 -2.691) 4.515 26.655 ( -1.090 -6.065 -3.537) 7.105 27.595 ( -1.863 -3.229 -0.065) 3.728 28.510 ( 7.488 12.792 -1.610) 14.910 28.791 ( -5.264 -8.995 -1.593) 10.543 30.249 ( 0.101 0.099 -7.326) 7.328 ======================= Grid point 219 (57/68) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.000 0.000 0.000) 0.000 2.812 ( 0.000 -0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 -0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 5.156 ( -0.000 0.000 0.000) 0.000 6.404 ( -0.000 0.000 -0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 -0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 -0.000 0.000) 0.000 7.945 ( -0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 -0.000 0.000) 0.000 8.244 ( -0.000 0.000 0.000) 0.000 8.244 ( 0.000 -0.000 0.000) 0.000 8.518 ( 0.000 -0.000 0.000) 0.000 8.667 ( -0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 -0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 -0.000) 0.000 9.190 ( 0.000 -0.000 -0.000) 0.000 9.198 ( -0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 -0.000 0.000) 0.000 9.710 ( -0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.114 ( 0.000 0.000 0.000) 0.000 10.114 ( -0.000 -0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 -0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 -0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.765 ( -0.000 0.000 0.000) 0.000 10.856 ( -0.000 0.000 0.000) 0.000 10.856 ( 0.000 -0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.473 ( -0.000 -0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 -0.000 0.000) 0.000 11.803 ( 0.000 -0.000 0.000) 0.000 12.103 ( 0.000 0.000 0.000) 0.000 12.103 ( 0.000 -0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.153 ( -0.000 -0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 -0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 -0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 13.441 ( -0.000 -0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 -0.000 0.000) 0.000 13.878 ( 0.000 0.000 -0.000) 0.000 13.878 ( 0.000 -0.000 -0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 -0.000 0.000) 0.000 14.257 ( 0.000 0.000 -0.000) 0.000 14.257 ( 0.000 -0.000 -0.000) 0.000 14.377 ( -0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 -0.000) 0.000 14.877 ( 0.000 -0.000 -0.000) 0.000 14.918 ( -0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 -0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 -0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 -0.000 0.000) 0.000 15.947 ( -0.000 0.000 0.000) 0.000 16.180 ( 0.000 -0.000 -0.000) 0.000 16.383 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 -0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.737 ( 0.000 -0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.159 ( -0.000 -0.000 0.000) 0.000 17.356 ( 0.000 0.000 -0.000) 0.000 17.356 ( -0.000 -0.000 -0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 17.899 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 -0.000 0.000) 0.000 18.448 ( -0.000 0.000 0.000) 0.000 18.448 ( 0.000 -0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 19.355 ( 0.000 0.000 0.000) 0.000 19.466 ( -0.000 -0.000 0.000) 0.000 19.578 ( 0.000 0.000 0.000) 0.000 19.578 ( 0.000 -0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 -0.000 0.000) 0.000 20.850 ( 0.000 0.000 0.000) 0.000 20.859 ( 0.000 -0.000 -0.000) 0.000 21.196 ( 0.000 0.000 0.000) 0.000 21.196 ( 0.000 -0.000 0.000) 0.000 21.269 ( 0.000 0.000 0.000) 0.000 21.269 ( 0.000 -0.000 0.000) 0.000 21.321 ( -0.000 -0.000 0.000) 0.000 22.390 ( 0.000 0.000 0.000) 0.000 22.390 ( 0.000 -0.000 0.000) 0.000 23.066 ( 0.000 -0.000 0.000) 0.000 23.597 ( 0.000 0.000 0.000) 0.000 23.616 ( 0.000 0.000 0.000) 0.000 23.616 ( 0.000 -0.000 0.000) 0.000 23.838 ( -0.000 0.000 0.000) 0.000 23.894 ( 0.000 0.000 0.000) 0.000 23.894 ( -0.000 -0.000 0.000) 0.000 24.118 ( 0.000 0.000 0.000) 0.000 24.118 ( 0.000 0.000 0.000) 0.000 24.543 ( -0.000 0.000 0.000) 0.000 25.283 ( 0.000 -0.000 0.000) 0.000 26.002 ( 0.000 -0.000 0.000) 0.000 26.558 ( 0.000 0.000 0.000) 0.000 27.235 ( 0.000 -0.000 0.000) 0.000 27.982 ( 0.000 0.000 0.000) 0.000 27.982 ( 0.000 -0.000 0.000) 0.000 27.996 ( -0.000 0.000 0.000) 0.000 28.829 ( -0.000 0.000 0.000) 0.000 28.829 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 221 (58/68) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 3.775 3.209 2.629) 5.609 2.984 ( 7.302 3.298 -3.213) 8.632 3.515 ( 2.844 -1.733 -0.259) 3.340 3.633 ( 5.703 12.352 21.619) 25.544 3.688 ( 13.870 1.801 -25.620) 29.189 3.842 ( 11.527 7.177 4.509) 14.307 4.644 ( 0.265 0.139 -0.082) 0.311 5.408 ( 22.449 12.957 0.535) 25.925 6.464 ( 5.038 2.915 0.982) 5.903 6.692 ( 2.970 1.615 -0.727) 3.458 6.991 ( -4.327 -2.328 -0.894) 4.994 7.040 ( 1.672 0.896 1.943) 2.715 7.184 ( -7.987 -5.001 0.165) 9.424 7.257 ( -2.613 -1.160 -0.890) 2.994 7.653 ( -25.433 -15.234 4.552) 29.994 7.787 ( -16.041 -9.490 -0.826) 18.656 7.911 ( -14.630 -7.969 -10.802) 19.855 8.156 ( -11.833 -5.906 -2.081) 13.388 8.326 ( -14.219 -11.788 4.021) 18.902 8.414 ( -10.400 3.326 9.277) 14.328 8.561 ( -0.783 -14.593 -2.457) 14.819 8.644 ( -13.580 2.035 -4.972) 14.605 8.841 ( -1.929 -6.036 6.846) 9.328 8.949 ( -13.263 -5.872 1.580) 14.591 9.044 ( -6.835 2.649 -0.069) 7.331 9.080 ( 0.641 -10.931 0.622) 10.968 9.241 ( -0.006 2.046 0.234) 2.060 9.354 ( 6.767 7.036 -1.032) 9.817 9.432 ( -5.123 13.135 -0.932) 14.130 9.525 ( 1.551 -12.568 -7.569) 14.752 9.691 ( 7.366 3.098 -2.124) 8.269 9.924 ( -10.483 -10.567 4.502) 15.551 10.072 ( -0.094 1.369 -5.442) 5.613 10.202 ( 7.591 5.400 -1.392) 9.419 10.295 ( -2.849 -4.597 -0.436) 5.426 10.314 ( -6.362 0.260 6.077) 8.801 10.525 ( 9.856 5.841 -3.919) 12.108 10.645 ( 4.532 5.913 -5.083) 9.019 10.668 ( 4.758 -5.515 10.481) 12.763 10.764 ( -2.301 2.661 6.554) 7.438 10.932 ( 3.635 6.725 -1.727) 7.837 10.969 ( 1.336 -1.415 -4.765) 5.147 11.299 ( -8.860 -3.927 -0.201) 9.693 11.370 ( 0.351 -5.902 1.946) 6.224 11.591 ( -3.279 3.406 -0.757) 4.788 11.715 ( 3.836 -0.328 -0.622) 3.900 11.848 ( -1.842 0.480 6.156) 6.444 12.019 ( -0.524 9.041 -3.329) 9.648 12.078 ( 1.798 -8.619 -1.237) 8.891 12.153 ( 0.113 -5.252 1.370) 5.429 12.190 ( -1.764 8.604 2.279) 9.073 12.221 ( 5.227 0.453 -3.547) 6.333 12.466 ( 2.813 -4.774 5.075) 7.514 12.580 ( 9.626 7.557 -1.567) 12.338 12.642 ( 5.087 4.366 -6.724) 9.495 12.702 ( 5.794 3.442 1.460) 6.896 12.939 ( -3.318 -1.489 -1.658) 3.997 13.541 ( -8.559 -0.920 -0.586) 8.628 13.611 ( -10.067 -7.224 -6.499) 13.992 13.695 ( -3.912 -9.023 8.167) 12.783 13.785 ( -0.790 1.429 1.713) 2.366 13.883 ( -5.850 -3.195 2.599) 7.155 13.957 ( -5.216 1.333 -1.034) 5.482 14.069 ( 6.896 0.300 -3.407) 7.698 14.086 ( 0.012 2.369 -3.859) 4.528 14.210 ( -7.656 -0.969 -1.810) 7.927 14.386 ( -3.445 -6.251 7.519) 10.367 14.609 ( 12.047 3.780 -2.955) 12.967 14.670 ( -8.646 -11.613 -4.030) 15.028 14.729 ( -3.479 3.661 -2.006) 5.434 14.806 ( 7.774 10.346 -0.009) 12.942 14.871 ( 1.028 0.227 1.857) 2.135 15.036 ( -1.030 8.482 7.776) 11.552 15.065 ( 2.064 -11.153 4.523) 12.211 15.286 ( 1.644 2.441 -2.444) 3.825 15.415 ( 10.955 9.679 -6.120) 15.847 15.577 ( -0.323 3.227 5.124) 6.064 15.647 ( 10.953 -7.850 -2.124) 13.642 15.801 ( 0.778 10.347 -3.440) 10.931 15.937 ( 0.688 0.258 1.580) 1.742 16.099 ( 9.898 3.989 1.431) 10.767 16.244 ( 7.214 4.854 3.534) 9.386 16.412 ( -0.990 2.600 -0.807) 2.897 16.454 ( 3.092 -4.427 5.184) 7.486 16.515 ( 5.323 4.946 -5.325) 9.008 16.607 ( 6.440 4.010 -0.052) 7.586 16.828 ( 7.662 3.192 1.997) 8.537 17.069 ( -0.987 1.070 -1.497) 2.088 17.153 ( 0.427 0.415 -8.830) 8.850 17.328 ( -3.212 -2.068 -2.976) 4.842 17.393 ( 3.378 1.619 7.385) 8.281 17.736 ( -0.502 -0.766 2.514) 2.676 17.945 ( 3.599 3.399 -3.305) 5.953 17.978 ( 5.104 3.416 3.650) 7.145 18.040 ( 10.696 4.752 -2.552) 11.979 18.467 ( 1.745 1.092 1.247) 2.407 18.490 ( 3.257 1.902 -0.845) 3.865 18.909 ( 0.098 0.023 -0.372) 0.385 19.251 ( -6.163 -3.405 -0.314) 7.048 19.386 ( -5.117 -3.785 -0.064) 6.365 19.536 ( -4.355 -0.177 -1.711) 4.682 19.608 ( 2.593 -0.324 1.925) 3.246 19.954 ( -3.415 -1.559 0.644) 3.809 20.133 ( 9.567 5.330 -0.562) 10.966 20.617 ( -10.847 -6.344 0.856) 12.595 20.858 ( -0.031 -0.013 0.196) 0.199 21.148 ( -2.530 -3.941 0.395) 4.700 21.198 ( -4.444 2.959 1.188) 5.470 21.248 ( 4.105 -1.158 -2.354) 4.871 21.331 ( 1.188 1.281 0.682) 1.875 21.519 ( 10.155 5.792 0.158) 11.692 22.374 ( -1.297 -0.793 0.174) 1.530 22.436 ( 4.118 2.412 0.119) 4.774 22.990 ( -6.104 -3.524 0.415) 7.060 23.299 ( -14.251 -8.228 -0.204) 16.458 23.579 ( -3.942 -2.095 -0.360) 4.479 23.823 ( -1.453 -3.424 -1.522) 4.019 23.856 ( 8.413 5.535 1.296) 10.154 23.879 ( -0.371 5.148 1.146) 5.287 23.937 ( 6.168 -1.181 -1.364) 6.426 24.168 ( 2.889 4.640 -1.216) 5.600 24.229 ( 7.916 2.750 1.878) 8.588 24.569 ( 2.658 1.479 -0.219) 3.050 25.295 ( 1.104 0.650 -0.246) 1.304 25.999 ( -0.251 -0.150 0.069) 0.300 26.242 ( -28.131 -16.233 -0.277) 32.480 26.958 ( -10.846 -6.260 0.170) 12.524 27.788 ( -15.373 -9.043 0.222) 17.837 27.961 ( -1.568 0.657 -0.190) 1.711 27.990 ( -0.265 -1.572 -0.069) 1.596 28.850 ( 1.725 1.028 -0.134) 2.013 29.298 ( 28.062 16.189 0.023) 32.397 ======================= Grid point 223 (59/68) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -4.547 0.432 7.688) 8.942 3.009 ( 0.947 -1.157 -7.510) 7.658 3.674 ( 14.319 2.262 0.308) 14.499 3.879 ( 15.621 13.933 -5.575) 21.661 4.189 ( 17.097 12.881 7.797) 22.782 4.386 ( 38.236 19.682 -3.735) 43.167 4.595 ( -2.032 -0.476 -0.152) 2.093 5.968 ( 19.045 11.369 0.262) 22.182 6.528 ( -13.310 -6.216 6.434) 16.037 6.762 ( -3.823 -2.312 6.298) 7.721 6.796 ( 3.469 -1.536 -5.336) 6.548 6.939 ( -9.643 -3.895 0.984) 10.446 7.096 ( 0.391 1.371 -2.858) 3.194 7.139 ( -11.277 -14.696 0.650) 18.535 7.204 ( -0.808 -1.883 -1.817) 2.739 7.402 ( -18.551 -6.121 -1.489) 19.591 7.522 ( -18.465 -11.264 -8.539) 23.254 7.730 ( -17.319 -8.847 4.988) 20.077 8.044 ( -5.596 2.094 0.795) 6.028 8.199 ( -8.898 -12.909 -2.106) 15.819 8.372 ( -13.572 0.164 -3.278) 13.964 8.483 ( -9.700 1.392 2.885) 10.215 8.616 ( -8.658 -10.869 2.727) 14.160 8.646 ( -12.393 -7.076 2.977) 14.578 8.937 ( -11.272 -7.203 1.961) 13.520 9.000 ( 0.938 -5.474 -0.681) 5.595 9.154 ( -5.960 0.839 2.677) 6.588 9.362 ( -5.920 -2.815 0.877) 6.613 9.478 ( 4.734 -2.431 -2.443) 5.855 9.598 ( -1.763 0.680 1.719) 2.554 9.741 ( -4.041 -11.584 2.888) 12.604 9.815 ( 11.698 10.337 -15.650) 22.105 9.884 ( -12.633 -8.273 1.225) 15.151 10.069 ( -8.041 -9.932 -5.576) 13.943 10.231 ( 4.076 9.536 -8.264) 13.260 10.429 ( -3.852 2.585 14.208) 14.946 10.561 ( -2.208 1.785 -5.410) 6.109 10.700 ( -1.633 -0.570 4.186) 4.529 10.776 ( -0.196 0.570 4.083) 4.127 10.908 ( 9.560 -0.634 3.547) 10.216 11.006 ( -7.366 -1.761 -7.807) 10.877 11.090 ( 10.003 7.851 3.469) 13.181 11.156 ( 2.512 1.167 1.068) 2.969 11.398 ( 3.365 -4.485 3.773) 6.758 11.510 ( -7.627 -7.347 4.009) 11.323 11.557 ( -10.721 8.227 7.755) 15.581 11.737 ( -8.345 -7.878 -4.450) 12.308 11.939 ( -0.882 5.666 5.353) 7.844 12.122 ( -3.442 3.821 -3.221) 6.068 12.206 ( 6.077 -12.516 -5.701) 15.036 12.272 ( 5.750 9.505 -1.250) 11.179 12.362 ( 4.254 5.982 -0.603) 7.365 12.543 ( 10.500 -1.674 5.134) 11.807 12.733 ( 3.677 -1.053 -2.030) 4.330 12.766 ( 8.092 -8.762 -4.775) 12.847 12.820 ( -0.077 1.735 -0.933) 1.971 12.962 ( 0.883 14.160 -2.442) 14.397 13.202 ( -9.355 -8.407 -1.517) 12.669 13.450 ( -6.598 -1.428 2.744) 7.288 13.611 ( -2.526 -1.841 -2.857) 4.235 13.651 ( -5.567 -7.361 -3.840) 9.996 13.820 ( -12.055 5.398 0.189) 13.209 13.941 ( 5.667 -1.263 -2.467) 6.309 14.071 ( -1.850 0.407 -1.040) 2.161 14.118 ( 3.819 -0.336 -4.890) 6.214 14.246 ( 8.143 -1.066 4.810) 9.518 14.351 ( -5.535 1.943 -1.328) 6.014 14.428 ( -2.781 1.162 9.282) 9.759 14.671 ( -2.459 -2.851 -4.336) 5.742 14.850 ( 13.563 2.323 0.559) 13.772 14.896 ( 8.438 -6.093 -5.756) 11.894 14.981 ( -3.729 -3.010 4.152) 6.341 15.088 ( -1.688 5.178 6.931) 8.815 15.185 ( 8.675 13.639 0.395) 16.169 15.261 ( -4.057 -0.920 2.064) 4.644 15.601 ( 4.483 8.194 -1.685) 9.491 15.687 ( 8.473 -9.108 1.908) 12.586 15.787 ( 2.559 5.089 5.554) 7.956 15.876 ( 1.601 4.384 -7.129) 8.521 16.029 ( 4.196 6.847 2.812) 8.509 16.150 ( 0.904 1.488 1.943) 2.608 16.299 ( -4.283 -1.235 4.289) 6.186 16.363 ( 3.077 2.282 3.108) 4.933 16.601 ( 11.334 -0.502 -0.121) 11.346 16.726 ( 9.793 1.855 -7.258) 12.329 16.864 ( 14.197 8.978 -4.157) 17.304 16.939 ( 5.009 -1.913 5.408) 7.615 17.186 ( 0.976 2.740 -9.006) 9.464 17.223 ( -3.393 -1.265 1.021) 3.762 17.293 ( 9.637 14.272 -5.828) 18.181 17.525 ( 9.359 2.773 2.081) 9.981 17.679 ( -2.427 -2.862 6.076) 7.142 18.070 ( 1.059 5.632 -4.949) 7.572 18.123 ( 8.966 1.864 5.805) 10.843 18.222 ( 6.576 0.740 -4.491) 7.997 18.530 ( 1.745 3.432 2.329) 4.500 18.584 ( 5.367 2.826 -1.527) 6.255 18.831 ( -5.377 -4.135 -2.375) 7.187 19.197 ( 0.255 0.737 1.953) 2.103 19.259 ( -3.358 -4.092 -2.671) 5.929 19.444 ( -5.761 1.806 -1.185) 6.153 19.645 ( 3.098 -2.641 3.167) 5.158 19.865 ( -4.017 -0.469 0.958) 4.156 20.307 ( 3.949 2.504 -1.626) 4.950 20.476 ( -2.117 -2.192 3.629) 4.739 20.857 ( -0.121 -0.283 0.857) 0.910 21.073 ( 0.568 -5.132 0.366) 5.176 21.134 ( -5.794 3.376 -0.305) 6.713 21.328 ( 1.092 -2.527 -0.542) 2.806 21.366 ( 4.354 5.466 0.664) 7.019 21.655 ( 2.761 0.965 -0.157) 2.929 22.329 ( -2.771 -1.807 2.277) 4.016 22.573 ( 7.225 4.194 -1.269) 8.449 22.812 ( -8.942 -5.016 2.299) 10.507 22.973 ( -13.162 -7.586 -0.945) 15.222 23.430 ( -8.822 -4.522 -1.636) 10.048 23.778 ( -0.769 -1.118 -0.702) 1.528 23.941 ( 1.275 4.577 3.305) 5.788 24.008 ( 8.461 -2.350 -3.736) 9.543 24.082 ( 7.335 4.037 0.275) 8.377 24.297 ( 2.779 10.285 -1.637) 10.779 24.363 ( 5.733 -0.808 3.088) 6.561 24.675 ( 6.499 2.661 0.404) 7.034 25.300 ( -5.877 -3.265 -2.874) 7.312 25.582 ( -18.731 -10.765 0.623) 21.613 25.991 ( -0.563 -0.281 -0.992) 1.175 26.808 ( -4.592 -2.637 1.540) 5.515 27.338 ( -21.906 -12.720 -0.254) 25.333 27.944 ( -2.817 3.432 -0.142) 4.442 27.964 ( 1.013 -4.561 -0.024) 4.672 28.902 ( 2.469 1.574 -0.215) 2.937 29.829 ( 16.900 9.719 -0.176) 19.496 ======================= Grid point 225 (60/68) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -5.153 -2.009 2.351) 6.010 3.033 ( 0.697 0.847 -1.895) 2.190 4.017 ( 19.424 3.841 -1.959) 19.897 4.284 ( 7.363 8.781 -8.479) 14.255 4.628 ( 17.337 17.291 20.707) 32.068 4.752 ( 20.742 12.021 -12.958) 27.252 5.171 ( 27.355 15.483 0.211) 31.434 5.911 ( -26.853 -9.978 -0.120) 28.647 6.085 ( -13.011 -14.341 13.187) 23.427 6.442 ( -18.470 -19.964 -10.803) 29.265 6.651 ( -7.915 -9.344 1.054) 12.291 6.841 ( -16.470 -3.233 2.390) 16.953 7.040 ( -4.765 6.366 -0.718) 7.985 7.119 ( 12.820 2.924 -0.581) 13.162 7.172 ( 4.836 -2.490 -12.546) 13.674 7.248 ( -7.874 6.419 -6.846) 12.251 7.376 ( 12.714 -5.712 17.581) 22.435 7.617 ( 4.515 6.417 1.075) 7.919 7.937 ( -1.863 -1.905 3.692) 4.553 8.051 ( -11.083 1.213 -1.447) 11.243 8.222 ( -7.633 0.814 1.707) 7.864 8.268 ( -8.090 2.119 -0.713) 8.393 8.376 ( -4.829 -9.188 -0.943) 10.423 8.483 ( 2.447 -11.277 -5.181) 12.649 8.612 ( -14.876 -8.315 1.284) 17.090 8.961 ( -3.028 2.030 -3.855) 5.306 9.019 ( -6.432 -6.684 2.300) 9.557 9.122 ( -8.842 -4.374 1.086) 9.924 9.533 ( -2.723 -6.305 0.913) 6.928 9.589 ( 2.925 5.274 0.107) 6.031 9.620 ( 2.432 -5.220 0.107) 5.760 9.705 ( -3.581 -0.517 1.067) 3.772 9.879 ( -2.387 -0.539 4.032) 4.716 10.095 ( 8.974 -0.439 -14.675) 17.207 10.304 ( -13.467 -5.019 2.086) 14.523 10.350 ( -0.662 10.402 -1.221) 10.494 10.503 ( -3.943 -1.155 -3.146) 5.175 10.613 ( -3.407 -1.656 -3.033) 4.853 10.786 ( -4.913 -2.748 7.871) 9.677 10.837 ( -13.139 -2.128 -8.030) 15.545 10.968 ( -2.176 -6.464 5.944) 9.047 11.041 ( 0.984 -0.825 3.105) 3.360 11.103 ( -7.833 -6.421 6.712) 12.150 11.281 ( -0.445 8.700 3.979) 9.577 11.406 ( -0.947 0.695 -1.515) 1.917 11.684 ( 7.388 2.580 10.202) 12.858 11.780 ( 13.746 -4.830 -2.171) 14.730 11.903 ( -10.219 7.063 -5.234) 13.480 12.046 ( -1.311 -8.570 2.974) 9.166 12.213 ( -0.520 5.020 -1.291) 5.210 12.381 ( 6.285 -2.454 -1.047) 6.828 12.560 ( -12.688 -3.633 3.129) 13.564 12.596 ( 8.806 11.602 -2.199) 14.730 12.746 ( 3.948 1.097 -1.417) 4.336 12.812 ( 8.083 -2.126 1.249) 8.451 12.930 ( 12.341 -7.127 -5.974) 15.453 12.987 ( -3.748 5.736 0.233) 6.856 13.182 ( 0.549 -4.603 -6.050) 7.622 13.333 ( -5.179 8.766 1.892) 10.355 13.439 ( -4.729 -11.157 -1.378) 12.196 13.656 ( -0.164 7.927 -1.966) 8.169 13.771 ( 1.819 4.985 -6.180) 8.146 13.968 ( 0.906 -3.399 -1.866) 3.982 14.137 ( 7.119 1.411 3.563) 8.085 14.213 ( 5.765 -4.853 -1.779) 7.742 14.250 ( -4.756 2.055 4.466) 6.840 14.331 ( -2.409 6.454 0.996) 6.960 14.468 ( 2.504 1.698 1.666) 3.454 14.588 ( 0.312 -6.240 -0.963) 6.321 14.815 ( -8.712 -14.183 1.366) 16.701 14.859 ( -7.966 5.467 3.547) 10.292 15.004 ( -3.674 -2.292 -4.562) 6.289 15.211 ( 13.798 6.756 -5.474) 16.309 15.251 ( 6.229 1.397 17.954) 19.055 15.384 ( 1.048 0.785 -0.738) 1.503 15.641 ( -0.442 5.762 -3.060) 6.539 15.807 ( 8.629 1.784 -5.163) 10.212 15.874 ( 3.716 -0.161 2.784) 4.646 15.908 ( -5.199 5.878 -4.850) 9.226 16.052 ( -1.913 -3.106 5.313) 6.444 16.203 ( -0.097 2.591 7.413) 7.853 16.312 ( 0.967 10.367 9.493) 14.090 16.547 ( 14.100 -1.834 -4.861) 15.027 16.650 ( -1.397 -9.931 -15.283) 18.280 16.859 ( 7.487 -0.626 0.039) 7.514 17.045 ( 5.750 0.310 5.502) 7.964 17.105 ( -2.692 7.744 -1.731) 8.379 17.200 ( 7.810 7.004 -4.660) 11.479 17.321 ( 8.619 2.578 -3.424) 9.626 17.495 ( -3.196 3.147 -0.444) 4.507 17.633 ( 4.051 6.277 4.652) 8.800 17.732 ( 6.954 -1.116 2.554) 7.492 18.005 ( -6.536 -5.266 0.103) 8.393 18.285 ( 6.356 2.372 -1.586) 6.967 18.354 ( 6.017 3.452 1.375) 7.072 18.563 ( -2.509 3.506 -0.996) 4.425 18.688 ( 3.069 0.441 -2.284) 3.851 18.736 ( -0.878 -2.749 -2.118) 3.580 19.169 ( 0.368 0.178 0.046) 0.411 19.262 ( 1.477 -0.325 -0.324) 1.547 19.429 ( -0.076 6.296 -3.319) 7.117 19.642 ( 0.973 -6.042 4.846) 7.806 19.834 ( -0.670 1.842 0.723) 2.089 20.313 ( -2.692 -0.334 -0.608) 2.780 20.416 ( -3.201 -2.892 3.515) 5.565 20.850 ( 0.853 -1.401 0.124) 1.645 21.072 ( -4.127 1.634 0.790) 4.509 21.098 ( 5.946 -2.194 -1.464) 6.505 21.287 ( -4.505 1.381 0.960) 4.808 21.501 ( 3.716 2.979 1.468) 4.984 21.719 ( 6.115 1.706 -2.015) 6.661 22.208 ( -8.357 -5.002 4.251) 10.627 22.612 ( -5.222 -3.443 -7.066) 9.437 22.725 ( -7.003 0.054 -1.283) 7.120 22.770 ( 6.774 0.316 8.165) 10.614 23.219 ( -9.536 -4.689 -2.883) 11.011 23.765 ( 0.031 -0.511 -0.203) 0.550 23.997 ( 1.595 1.426 1.538) 2.635 24.125 ( 6.226 -0.063 -1.201) 6.341 24.230 ( 5.383 2.823 -1.494) 6.259 24.424 ( 3.153 -0.901 1.175) 3.483 24.440 ( 2.115 8.506 0.602) 8.785 24.773 ( -1.537 -0.060 5.428) 5.641 24.929 ( -11.535 -9.199 -6.882) 16.280 25.600 ( 9.330 5.903 0.099) 11.041 25.966 ( -2.111 -1.137 -2.934) 3.789 26.686 ( -7.943 -4.556 7.290) 11.704 26.881 ( -14.054 -8.227 -4.359) 16.858 27.933 ( -6.088 9.752 0.074) 11.496 27.940 ( 5.019 -10.541 -0.159) 11.676 28.955 ( 1.775 1.200 -0.165) 2.149 30.085 ( 6.286 3.586 -0.194) 7.240 ======================= Grid point 227 (61/68) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 -0.000) 0.000 5.453 ( -0.000 -0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 -0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 -0.000 -0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 -0.000) 0.000 7.289 ( 0.000 -0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.750 ( -0.000 0.000 0.000) 0.000 7.819 ( 0.000 -0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.190 ( -0.000 -0.000 -0.000) 0.000 8.289 ( 0.000 0.000 -0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 -0.000) 0.000 8.808 ( -0.000 -0.000 -0.000) 0.000 9.037 ( 0.000 0.000 -0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.384 ( -0.000 -0.000 0.000) 0.000 9.544 ( 0.000 -0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 -0.000) 0.000 9.846 ( -0.000 -0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 -0.000) 0.000 10.441 ( -0.000 -0.000 0.000) 0.000 10.584 ( -0.000 -0.000 0.000) 0.000 10.591 ( 0.000 0.000 -0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.026 ( 0.000 -0.000 0.000) 0.000 11.081 ( -0.000 0.000 0.000) 0.000 11.305 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 -0.000 -0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 -0.000 -0.000) 0.000 11.880 ( 0.000 0.000 -0.000) 0.000 11.985 ( 0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 -0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 -0.000) 0.000 12.946 ( -0.000 0.000 0.000) 0.000 13.041 ( 0.000 -0.000 -0.000) 0.000 13.124 ( -0.000 0.000 -0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 13.467 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 13.904 ( -0.000 -0.000 0.000) 0.000 13.944 ( 0.000 0.000 -0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.243 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 -0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.505 ( -0.000 -0.000 0.000) 0.000 14.552 ( 0.000 -0.000 0.000) 0.000 14.584 ( -0.000 0.000 -0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.952 ( 0.000 -0.000 -0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.340 ( 0.000 -0.000 0.000) 0.000 15.506 ( 0.000 0.000 -0.000) 0.000 15.725 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 -0.000) 0.000 15.979 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 -0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.468 ( -0.000 -0.000 -0.000) 0.000 16.702 ( 0.000 0.000 -0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.129 ( 0.000 -0.000 0.000) 0.000 17.347 ( 0.000 0.000 -0.000) 0.000 17.411 ( 0.000 0.000 0.000) 0.000 17.475 ( 0.000 0.000 -0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.835 ( 0.000 0.000 -0.000) 0.000 17.840 ( -0.000 -0.000 0.000) 0.000 18.375 ( 0.000 0.000 -0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.504 ( -0.000 0.000 0.000) 0.000 18.716 ( -0.000 0.000 -0.000) 0.000 18.721 ( 0.000 -0.000 0.000) 0.000 19.210 ( 0.000 0.000 0.000) 0.000 19.254 ( 0.000 0.000 -0.000) 0.000 19.519 ( 0.000 0.000 -0.000) 0.000 19.574 ( -0.000 -0.000 0.000) 0.000 19.847 ( 0.000 0.000 0.000) 0.000 20.272 ( 0.000 0.000 0.000) 0.000 20.358 ( -0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 21.038 ( 0.000 0.000 0.000) 0.000 21.190 ( -0.000 0.000 0.000) 0.000 21.210 ( 0.000 0.000 -0.000) 0.000 21.539 ( 0.000 0.000 0.000) 0.000 21.870 ( 0.000 0.000 -0.000) 0.000 22.019 ( -0.000 -0.000 0.000) 0.000 22.559 ( 0.000 0.000 0.000) 0.000 22.636 ( 0.000 0.000 -0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.066 ( -0.000 -0.000 -0.000) 0.000 23.764 ( 0.000 0.000 0.000) 0.000 24.019 ( 0.000 0.000 0.000) 0.000 24.191 ( 0.000 0.000 0.000) 0.000 24.298 ( 0.000 0.000 0.000) 0.000 24.452 ( 0.000 0.000 0.000) 0.000 24.535 ( 0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 24.878 ( 0.000 0.000 -0.000) 0.000 25.818 ( 0.000 0.000 0.000) 0.000 25.872 ( 0.000 0.000 -0.000) 0.000 26.516 ( 0.000 0.000 0.000) 0.000 26.757 ( 0.000 0.000 0.000) 0.000 27.928 ( -0.000 0.000 0.000) 0.000 27.931 ( 0.000 -0.000 0.000) 0.000 28.977 ( 0.000 0.000 0.000) 0.000 30.152 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 239 (62/68) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 3.421 -0.823 -12.173) 12.672 3.002 ( -3.571 -1.153 8.743) 9.515 3.634 ( -1.175 10.523 -10.452) 14.878 3.763 ( 14.331 13.140 -1.229) 19.482 4.090 ( 13.293 18.363 8.882) 24.347 4.149 ( 17.246 33.900 4.764) 38.332 4.613 ( -1.169 -2.177 2.219) 3.321 5.827 ( 13.666 23.357 3.821) 27.330 6.567 ( 3.424 5.439 -4.731) 7.981 6.774 ( 2.595 6.991 0.507) 7.475 6.846 ( -7.140 -14.427 8.291) 18.107 7.014 ( -5.162 -8.141 3.737) 10.339 7.024 ( -5.327 -10.499 0.374) 11.779 7.165 ( -10.741 -9.906 -2.341) 14.798 7.243 ( -7.646 -14.088 -5.016) 16.795 7.500 ( -7.842 -15.997 -0.586) 17.825 7.699 ( -4.259 -5.228 -6.428) 9.316 7.897 ( -9.902 -26.046 3.488) 28.082 8.101 ( -5.378 -14.092 2.189) 15.241 8.204 ( -9.993 -1.971 -2.594) 10.511 8.431 ( -2.894 -7.998 -2.519) 8.870 8.522 ( -0.037 -16.426 1.612) 16.505 8.671 ( -10.484 -15.306 -0.118) 18.553 8.819 ( -5.212 -5.967 -1.782) 8.121 8.944 ( -11.178 5.914 -2.544) 12.899 9.034 ( 1.233 -18.344 0.409) 18.390 9.196 ( 3.525 -4.578 -5.431) 7.929 9.347 ( -6.009 6.606 3.833) 9.718 9.426 ( 3.835 2.614 -0.863) 4.721 9.566 ( 2.505 0.330 0.441) 2.565 9.728 ( 3.329 -6.634 -1.157) 7.512 9.884 ( -19.759 6.545 6.360) 21.765 9.987 ( -8.657 -15.463 -4.313) 18.239 10.088 ( 4.387 -0.055 -5.212) 6.813 10.191 ( 3.553 -1.636 -2.837) 4.832 10.430 ( 2.126 -4.630 2.308) 5.593 10.593 ( 3.461 1.135 8.267) 9.034 10.706 ( 1.267 5.528 -2.318) 6.127 10.778 ( 0.685 5.836 4.311) 7.288 10.853 ( -1.934 0.554 6.251) 6.567 10.922 ( 9.646 4.494 2.509) 10.934 11.070 ( 3.158 1.731 -2.683) 4.491 11.252 ( -3.746 2.574 -2.763) 5.319 11.302 ( -2.788 1.589 -2.841) 4.286 11.506 ( -0.766 -8.866 -4.256) 9.864 11.673 ( -1.409 -9.353 -6.227) 11.324 11.847 ( 0.274 -5.095 6.978) 8.645 11.864 ( -3.460 -3.308 0.410) 4.805 12.069 ( 1.287 1.709 3.372) 3.994 12.199 ( 4.468 1.112 1.615) 4.880 12.276 ( 5.196 0.287 0.357) 5.217 12.367 ( -2.704 14.149 0.243) 14.407 12.538 ( -4.868 3.698 11.823) 13.310 12.645 ( 1.922 5.123 -3.504) 6.498 12.747 ( -5.465 -0.196 -6.127) 8.213 12.790 ( 6.379 8.499 -3.746) 11.268 12.967 ( 10.717 5.183 -3.525) 12.415 13.324 ( -6.131 -12.281 1.354) 13.793 13.483 ( -6.720 -8.184 -1.565) 10.705 13.568 ( -4.851 -4.583 2.953) 7.298 13.620 ( -4.628 -11.650 -1.593) 12.636 13.864 ( -2.636 -3.333 2.052) 4.719 13.997 ( 9.408 3.748 -2.689) 10.479 14.048 ( 2.688 -1.690 5.453) 6.310 14.172 ( -2.531 7.118 -1.084) 7.632 14.214 ( -6.351 -6.384 -5.772) 10.696 14.365 ( -3.868 -2.513 -0.726) 4.670 14.491 ( 6.324 -15.081 5.911) 17.389 14.596 ( -9.471 8.921 -0.256) 13.013 14.664 ( 6.434 4.017 0.082) 7.586 14.843 ( -5.994 12.170 -5.952) 14.814 15.028 ( 2.215 4.349 -6.978) 8.516 15.087 ( 12.060 5.911 6.989) 15.140 15.281 ( 8.281 -0.502 -0.136) 8.297 15.372 ( -0.575 10.089 5.047) 11.296 15.424 ( 3.779 -2.572 0.714) 4.626 15.647 ( -5.701 1.705 2.446) 6.434 15.754 ( 5.048 12.893 -8.093) 16.038 15.873 ( 1.270 -2.042 -7.574) 7.947 15.988 ( 7.581 4.743 -2.601) 9.313 16.178 ( 1.562 -3.944 -0.747) 4.308 16.302 ( 1.228 7.480 6.049) 9.698 16.367 ( 2.819 -0.674 5.550) 6.262 16.597 ( -2.085 13.202 4.627) 14.144 16.645 ( 4.764 10.643 -3.928) 12.305 16.719 ( 7.034 6.398 -0.572) 9.526 16.963 ( -1.234 11.912 11.216) 16.407 17.092 ( 3.704 -4.554 -2.134) 6.246 17.238 ( 7.537 7.837 1.199) 10.939 17.347 ( 6.731 -4.163 1.431) 8.043 17.413 ( -2.011 11.320 -6.493) 13.204 17.727 ( -1.752 -0.780 -2.469) 3.127 17.986 ( 4.085 2.102 0.469) 4.618 18.091 ( 3.850 7.564 -4.372) 9.548 18.195 ( 1.240 6.661 5.925) 9.001 18.510 ( 2.337 1.557 -2.949) 4.071 18.557 ( 3.092 5.618 -1.492) 6.584 18.865 ( -3.566 -5.258 -0.923) 6.420 19.202 ( 0.634 0.082 -0.034) 0.640 19.269 ( -5.243 -6.066 2.635) 8.439 19.489 ( 1.776 -5.079 0.246) 5.386 19.629 ( -2.524 2.882 0.046) 3.831 19.892 ( -0.777 -3.798 -2.005) 4.364 20.279 ( 3.749 6.602 -0.803) 7.634 20.492 ( -2.865 -3.830 3.145) 5.724 20.863 ( 0.246 0.516 -0.574) 0.810 21.057 ( -5.208 -5.232 1.670) 7.569 21.192 ( 4.691 -1.818 -2.030) 5.425 21.263 ( -3.165 1.405 -1.506) 3.776 21.386 ( 3.509 4.172 2.078) 5.834 21.631 ( 1.680 3.620 -2.939) 4.956 22.352 ( -0.875 -1.228 2.320) 2.767 22.525 ( 3.661 6.241 -1.764) 7.448 22.862 ( -5.170 -9.036 0.412) 10.419 23.049 ( -8.426 -14.683 3.542) 17.296 23.504 ( -3.107 -6.305 -3.163) 7.708 23.790 ( -1.550 -0.397 -2.453) 2.929 23.877 ( 3.234 1.451 -2.097) 4.119 24.007 ( 1.712 6.716 0.124) 6.931 24.059 ( 0.448 9.938 6.407) 11.833 24.179 ( 6.315 -1.678 4.055) 7.690 24.374 ( 3.139 7.058 -2.172) 8.024 24.655 ( 4.036 8.153 -2.723) 9.496 25.309 ( -0.299 -0.736 -0.458) 0.917 25.730 ( -16.211 -28.055 0.537) 32.407 25.994 ( -0.178 -0.384 -0.178) 0.459 26.837 ( -2.919 -5.070 0.018) 5.851 27.472 ( -12.391 -21.306 -0.554) 24.653 27.854 ( -2.861 -5.665 0.052) 6.346 28.079 ( 2.518 5.125 1.095) 5.814 28.871 ( 0.753 1.093 0.107) 1.332 29.716 ( 11.800 20.492 -0.353) 23.649 ======================= Grid point 241 (63/68) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -6.722 -1.684 2.545) 7.382 2.965 ( 4.316 -4.378 -5.676) 8.367 3.839 ( 9.810 14.013 -4.032) 17.574 4.244 ( 16.973 21.947 -14.676) 31.387 4.511 ( 8.801 3.742 6.575) 11.606 4.583 ( 16.144 20.361 13.057) 29.081 4.948 ( 23.012 28.853 4.214) 37.145 6.073 ( -3.061 -3.772 8.879) 10.121 6.323 ( -25.780 -15.073 6.714) 30.609 6.427 ( -11.175 -31.830 5.811) 34.232 6.716 ( -11.578 -6.476 -0.174) 13.268 6.889 ( -3.081 -9.885 -4.399) 11.250 6.921 ( 4.655 -7.929 -13.970) 16.724 6.998 ( 3.610 5.828 4.315) 8.101 7.167 ( 5.675 1.393 -1.791) 6.111 7.337 ( -4.125 0.154 -1.671) 4.453 7.497 ( -15.913 3.802 4.522) 16.974 7.700 ( -7.155 -2.222 -2.245) 7.821 7.840 ( 3.621 -10.101 -1.306) 10.809 8.148 ( 5.192 -5.740 -1.873) 7.963 8.239 ( -6.629 -14.033 -1.506) 15.593 8.357 ( -3.092 -11.659 1.415) 12.145 8.415 ( -6.304 0.837 -4.390) 7.728 8.603 ( -15.864 5.209 -0.646) 16.710 8.807 ( -9.143 -7.467 -0.461) 11.813 8.915 ( 1.697 -0.151 2.070) 2.681 9.105 ( -9.025 0.021 -5.246) 10.439 9.257 ( -8.268 -4.359 -3.556) 10.000 9.493 ( 4.906 -0.067 1.218) 5.055 9.538 ( -3.819 -1.881 6.457) 7.734 9.671 ( -5.297 0.577 -1.515) 5.540 9.749 ( 2.813 -4.476 -6.293) 8.219 9.847 ( 4.496 -8.154 -1.939) 9.511 9.987 ( -8.457 -0.183 -5.102) 9.879 10.342 ( 5.216 -4.431 -4.143) 8.000 10.375 ( 5.375 -2.369 6.082) 8.455 10.582 ( -10.822 -0.681 -3.401) 11.365 10.698 ( -2.581 -5.291 1.624) 6.107 10.782 ( -0.310 -14.148 1.793) 14.264 10.825 ( -1.709 3.582 6.307) 7.452 10.951 ( -0.821 -5.657 -2.128) 6.099 11.046 ( -1.984 4.493 1.899) 5.266 11.223 ( -2.802 -3.455 11.413) 12.249 11.387 ( -2.318 -0.895 2.368) 3.432 11.487 ( -4.349 -1.226 -5.576) 7.177 11.589 ( 3.785 -1.021 -0.933) 4.030 11.646 ( -0.315 2.569 1.927) 3.227 11.895 ( -1.479 0.969 3.685) 4.087 12.160 ( -7.467 1.294 3.254) 8.247 12.201 ( 2.943 -7.774 0.113) 8.314 12.352 ( 1.293 8.120 -0.821) 8.263 12.438 ( 14.496 2.545 1.977) 14.850 12.570 ( 4.895 -9.449 -3.159) 11.101 12.625 ( 3.893 -0.920 6.560) 7.683 12.757 ( -3.359 6.973 -4.457) 8.932 12.876 ( -2.524 4.281 -3.550) 6.108 13.036 ( -7.677 -5.246 -8.503) 12.600 13.198 ( 0.130 6.192 -3.588) 7.158 13.396 ( -2.852 -5.723 -1.199) 6.506 13.464 ( 1.392 1.030 1.190) 2.101 13.610 ( 9.603 -3.871 0.942) 10.397 13.823 ( 3.179 -2.322 1.233) 4.125 13.896 ( -10.767 -3.282 -2.711) 11.578 14.104 ( -0.560 2.842 -3.506) 4.548 14.143 ( 6.902 -8.427 3.093) 11.323 14.164 ( -2.527 0.002 -1.753) 3.075 14.310 ( 5.636 -3.894 5.280) 8.649 14.536 ( -0.835 3.459 8.249) 8.984 14.617 ( -5.514 12.839 1.625) 14.067 14.841 ( 3.728 1.954 -3.712) 5.613 14.991 ( 9.852 10.676 -7.031) 16.140 15.032 ( -5.540 1.110 -2.368) 6.127 15.189 ( -2.547 -1.036 14.266) 14.529 15.315 ( -8.363 7.571 2.146) 11.484 15.346 ( 2.723 2.217 -3.915) 5.259 15.549 ( 6.777 -4.525 -4.216) 9.175 15.686 ( 7.816 0.831 4.686) 9.151 15.899 ( 4.037 -0.759 -9.116) 9.999 15.946 ( 2.805 8.412 -4.043) 9.745 16.049 ( -1.317 -5.987 1.362) 6.280 16.106 ( 3.983 -1.687 -5.378) 6.902 16.449 ( 0.847 8.501 7.641) 11.461 16.529 ( 1.779 14.489 2.434) 14.799 16.674 ( -4.540 9.137 3.923) 10.931 16.776 ( 3.290 9.641 0.280) 10.191 16.985 ( 7.183 3.111 6.447) 10.141 17.017 ( 7.692 4.507 -2.572) 9.279 17.141 ( 8.170 -2.651 0.573) 8.608 17.299 ( -3.157 6.653 -9.300) 11.863 17.538 ( 13.126 0.985 -0.750) 13.184 17.632 ( 4.130 13.406 5.634) 15.117 17.660 ( -4.516 0.201 1.164) 4.668 18.092 ( -6.398 -1.357 3.055) 7.219 18.126 ( 9.769 -0.487 -5.616) 11.279 18.307 ( 5.134 6.831 1.995) 8.775 18.557 ( 3.590 -2.221 -5.458) 6.900 18.643 ( -0.683 -2.353 -3.532) 4.298 18.739 ( -2.674 -1.575 -2.967) 4.294 19.168 ( -0.542 -1.110 -0.217) 1.254 19.256 ( 1.433 3.653 2.257) 4.528 19.469 ( 1.251 -3.380 0.458) 3.633 19.615 ( -2.385 3.562 2.154) 4.797 19.867 ( -0.379 0.169 -0.356) 0.547 20.331 ( -0.390 -1.403 -0.495) 1.538 20.445 ( -1.920 0.012 2.907) 3.484 20.839 ( -2.774 -3.138 0.768) 4.258 20.968 ( 2.042 -3.665 1.560) 4.476 21.182 ( -4.623 0.116 -3.681) 5.910 21.291 ( 5.019 0.998 0.234) 5.122 21.515 ( 3.063 8.355 1.137) 8.972 21.645 ( 0.927 -1.918 -2.951) 3.639 22.307 ( -4.884 -0.057 4.518) 6.653 22.608 ( -2.247 -8.088 -12.372) 14.951 22.692 ( 0.357 -3.482 14.016) 14.447 22.805 ( -4.876 -4.428 1.429) 6.740 23.348 ( -8.133 -4.307 -4.331) 10.171 23.778 ( -0.777 1.053 -2.843) 3.130 23.960 ( 4.350 0.381 1.251) 4.543 24.055 ( 0.639 4.146 -0.226) 4.202 24.162 ( 4.010 1.824 2.090) 4.876 24.312 ( 7.169 0.222 5.214) 8.868 24.471 ( 2.463 4.016 1.389) 4.912 24.839 ( 2.873 13.660 -3.984) 14.517 25.046 ( -14.887 -18.793 -2.822) 24.141 25.517 ( 4.583 2.638 0.218) 5.292 25.982 ( -0.875 -0.756 -1.095) 1.592 26.740 ( -3.676 -4.056 2.680) 6.095 27.013 ( -15.359 -18.555 -1.672) 24.145 27.766 ( 0.809 -8.441 -0.030) 8.480 28.158 ( -2.830 11.279 0.757) 11.653 28.898 ( 2.723 -2.047 0.123) 3.409 30.023 ( 7.050 8.398 -0.411) 10.972 ======================= Grid point 243 (64/68) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -4.190 0.267 -0.222) 4.205 2.987 ( 3.379 -4.677 -2.119) 6.146 4.138 ( 8.476 5.356 -1.163) 10.094 4.479 ( 0.711 14.444 0.082) 14.462 5.005 ( 22.877 19.113 -11.601) 31.988 5.106 ( 10.747 19.441 10.495) 24.568 5.466 ( 5.965 7.614 9.315) 13.428 5.651 ( -21.394 -11.465 6.576) 25.148 5.822 ( -14.614 -6.720 3.393) 16.439 6.023 ( 1.607 -17.834 5.043) 18.603 6.461 ( -5.976 -9.256 1.678) 11.145 6.622 ( -4.251 -18.513 -7.804) 20.536 6.938 ( 5.322 -8.710 -5.214) 11.462 7.030 ( -4.504 -13.279 -0.325) 14.026 7.187 ( 6.459 -10.579 -7.838) 14.665 7.314 ( -3.685 6.769 6.967) 10.390 7.570 ( 10.985 11.190 1.772) 15.780 7.766 ( 7.175 4.499 3.142) 9.033 7.826 ( 1.701 -2.967 0.964) 3.554 8.004 ( -7.730 -6.659 -6.628) 12.166 8.060 ( -6.586 6.139 1.057) 9.065 8.242 ( -4.004 3.894 0.736) 5.634 8.385 ( -5.969 -0.306 2.750) 6.579 8.522 ( -7.450 4.580 -5.572) 10.369 8.654 ( -3.309 12.694 -2.317) 13.321 8.860 ( -9.266 -5.160 1.717) 10.744 9.053 ( -0.478 7.327 0.394) 7.353 9.253 ( 5.962 14.702 -13.150) 20.607 9.446 ( -0.349 -5.594 2.667) 6.207 9.523 ( -9.755 2.746 2.917) 10.546 9.665 ( 10.462 -0.661 1.548) 10.596 9.772 ( -3.904 3.775 -3.823) 6.642 9.852 ( 7.896 -6.969 -4.334) 11.388 9.911 ( 3.956 -8.425 3.967) 10.118 10.132 ( -17.330 -14.794 -0.768) 22.798 10.407 ( 3.570 -3.561 -3.906) 6.378 10.463 ( 2.394 -2.041 -4.676) 5.635 10.565 ( -7.941 -5.758 -0.155) 9.811 10.625 ( -4.824 -6.102 8.682) 11.656 10.781 ( -0.252 -14.887 -6.450) 16.226 10.875 ( -1.417 2.040 -3.268) 4.105 10.943 ( -4.370 0.084 -2.460) 5.015 11.130 ( -1.415 -1.881 2.966) 3.786 11.317 ( 0.822 -4.370 7.952) 9.111 11.453 ( -1.466 2.009 4.816) 5.421 11.683 ( 1.187 2.613 6.697) 7.286 11.794 ( 2.299 6.414 3.664) 7.737 11.919 ( 6.322 2.393 1.393) 6.901 11.968 ( -2.116 -4.086 -3.224) 5.618 12.222 ( 4.745 -5.984 0.648) 7.665 12.453 ( -3.047 4.501 5.303) 7.594 12.533 ( 7.991 -14.483 3.235) 16.855 12.637 ( 0.787 -0.671 3.210) 3.372 12.721 ( 0.233 4.806 -4.093) 6.317 12.770 ( 2.419 -0.999 -7.579) 8.018 12.829 ( -1.689 -7.643 -10.357) 12.982 12.983 ( 9.699 -0.604 -3.002) 10.171 13.190 ( -4.035 5.044 -2.141) 6.805 13.325 ( -4.497 2.398 4.570) 6.845 13.501 ( -1.945 5.908 -4.815) 7.866 13.754 ( 4.530 -0.494 4.442) 6.363 13.832 ( 5.622 -0.466 -1.646) 5.877 13.876 ( 7.266 -8.787 2.702) 11.718 13.989 ( -8.130 0.621 0.407) 8.164 14.134 ( 4.969 -9.935 4.588) 12.018 14.270 ( 5.660 6.093 -3.502) 9.024 14.433 ( -1.222 -4.861 7.047) 8.647 14.493 ( -0.749 7.158 1.522) 7.357 14.649 ( -10.817 4.376 7.404) 13.819 14.732 ( 0.612 9.127 -7.088) 11.572 14.896 ( -10.342 2.774 0.284) 10.712 15.100 ( -3.429 -0.626 2.333) 4.195 15.250 ( -5.301 4.617 -0.467) 7.045 15.381 ( 8.167 7.136 0.664) 10.865 15.410 ( 4.803 4.633 1.638) 6.871 15.618 ( 6.639 -3.182 -7.518) 10.522 15.792 ( -3.815 -3.881 2.236) 5.884 15.875 ( 0.419 -7.738 -0.205) 7.752 15.942 ( 3.706 -2.457 -7.477) 8.699 16.027 ( -1.743 4.298 -1.941) 5.027 16.227 ( 2.092 -0.383 -1.329) 2.508 16.468 ( -2.404 3.547 -0.338) 4.298 16.661 ( -8.363 15.580 5.438) 18.500 16.699 ( 4.664 12.329 -0.184) 13.183 16.874 ( 0.378 -1.922 3.957) 4.415 17.033 ( 1.877 2.452 6.261) 6.981 17.242 ( 6.630 2.112 1.700) 7.162 17.315 ( -1.065 5.102 -3.078) 6.052 17.353 ( 9.553 1.980 -9.853) 13.866 17.531 ( -9.103 2.389 -3.034) 9.889 17.661 ( 1.865 -5.873 3.926) 7.306 17.811 ( 4.589 9.137 0.439) 10.234 17.944 ( -7.775 1.231 3.499) 8.615 18.307 ( 8.725 0.305 -4.340) 9.749 18.432 ( 2.721 3.342 5.866) 7.279 18.548 ( -4.258 -4.780 -1.551) 6.586 18.573 ( 4.298 -9.286 -2.531) 10.541 18.702 ( 1.724 -3.331 -4.672) 5.992 19.220 ( 1.808 4.367 -3.251) 5.737 19.288 ( -1.338 3.024 1.102) 3.485 19.460 ( 1.750 -6.580 4.231) 8.017 19.628 ( -1.408 7.771 -2.201) 8.198 19.869 ( -0.638 0.964 0.585) 1.296 20.294 ( -1.493 -1.235 -0.018) 1.938 20.382 ( -3.894 0.008 1.719) 4.256 20.787 ( 3.848 -6.362 0.491) 7.451 20.984 ( 0.828 -2.412 2.508) 3.577 21.129 ( 0.493 -0.841 -4.734) 4.833 21.365 ( -2.710 6.830 1.334) 7.468 21.538 ( -2.116 -0.414 -2.558) 3.345 21.768 ( 10.043 2.798 -0.900) 10.465 22.140 ( -11.313 -1.337 4.420) 12.220 22.506 ( 3.104 -6.386 -1.399) 7.237 22.590 ( -1.531 -8.863 5.766) 10.684 22.882 ( 4.035 6.873 1.072) 8.042 23.166 ( -8.536 -1.301 -4.963) 9.959 23.780 ( -0.553 1.708 -2.402) 2.999 24.013 ( 1.274 0.200 2.388) 2.714 24.119 ( 4.149 -2.061 -0.825) 4.706 24.244 ( 4.878 0.339 2.671) 5.572 24.402 ( 3.331 0.583 1.633) 3.755 24.537 ( 1.407 0.383 4.024) 4.280 24.664 ( -10.154 -10.061 -1.759) 14.403 24.992 ( -2.396 13.828 -4.832) 14.842 25.708 ( 10.977 4.244 0.492) 11.779 25.921 ( -4.708 -4.036 -2.669) 6.751 26.569 ( -8.448 -5.638 5.124) 11.376 26.732 ( -0.945 -6.561 -3.383) 7.442 27.717 ( 3.761 -9.047 -0.024) 9.798 28.203 ( -6.979 14.632 0.466) 16.218 28.917 ( 3.459 -4.983 0.292) 6.073 30.146 ( 1.813 2.291 -0.312) 2.938 ======================= Grid point 245 (65/68) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 1.083 2.792 -2.244) 3.742 2.986 ( 2.048 -4.812 -0.308) 5.238 4.190 ( -2.537 -4.060 -0.723) 4.842 4.516 ( -17.714 11.645 5.767) 21.969 4.842 ( -25.178 -11.273 -13.547) 30.733 5.035 ( -24.871 -7.509 15.490) 30.247 5.466 ( -9.401 -0.347 -0.450) 9.418 5.573 ( 15.752 3.979 10.402) 19.291 5.970 ( 15.054 12.930 -15.340) 25.083 6.277 ( 20.778 14.629 15.617) 29.826 6.481 ( 12.238 -15.308 -0.763) 19.613 6.505 ( 16.512 -4.784 4.668) 17.814 6.873 ( 4.576 -5.047 -9.236) 11.477 6.989 ( 9.673 -8.824 -3.760) 13.622 7.209 ( 4.830 -8.216 7.389) 12.059 7.310 ( -5.502 3.401 3.426) 7.320 7.587 ( -7.373 -3.525 -7.884) 11.355 7.666 ( -6.944 -4.972 1.597) 8.689 7.835 ( 9.155 9.489 -0.230) 13.187 7.985 ( -5.315 -7.945 -1.466) 9.670 8.114 ( -9.519 -4.648 -1.085) 10.649 8.322 ( 9.421 11.550 -12.096) 19.196 8.473 ( -5.218 9.386 3.192) 11.204 8.544 ( -5.359 12.633 -2.682) 13.982 8.597 ( 7.435 15.163 4.285) 17.423 8.865 ( 8.659 10.415 0.477) 13.553 9.027 ( -11.988 -4.707 10.151) 16.398 9.157 ( -5.388 5.016 -9.051) 11.667 9.459 ( 3.096 -5.437 2.900) 6.896 9.594 ( -0.928 0.508 -5.402) 5.505 9.688 ( -1.940 -1.508 -0.966) 2.640 9.746 ( 1.207 -4.948 -3.089) 5.957 9.811 ( 1.809 2.258 -1.553) 3.284 10.043 ( 12.443 -9.229 0.952) 15.521 10.139 ( 15.150 9.989 -3.006) 18.394 10.293 ( -10.333 -9.451 7.281) 15.783 10.356 ( 2.487 -6.225 2.634) 7.203 10.543 ( 6.366 -2.924 0.605) 7.032 10.660 ( 11.736 6.625 -3.284) 13.871 10.771 ( 5.411 0.440 -6.379) 8.377 10.931 ( 0.511 4.622 -3.609) 5.886 10.941 ( 5.861 1.029 -2.083) 6.304 11.119 ( 3.724 -2.372 -1.424) 4.640 11.309 ( -3.828 1.413 8.719) 9.626 11.397 ( -2.212 -5.405 1.568) 6.047 11.608 ( 1.498 -7.548 8.328) 11.339 11.821 ( -5.812 3.494 -5.234) 8.566 11.969 ( 2.107 -2.556 -6.864) 7.621 12.123 ( -4.861 10.870 7.153) 13.891 12.295 ( 14.353 -3.370 -2.055) 14.886 12.371 ( -5.226 3.028 7.476) 9.611 12.491 ( -5.370 1.924 -1.357) 5.863 12.577 ( -0.597 -15.497 7.480) 17.218 12.658 ( 4.747 -12.447 -5.932) 14.583 12.712 ( 6.456 -10.863 -9.908) 16.058 12.892 ( 4.103 3.169 -4.433) 6.821 13.107 ( -1.425 3.032 3.176) 4.616 13.253 ( -9.130 8.265 5.136) 13.343 13.320 ( 7.878 7.244 -0.546) 10.716 13.508 ( -4.204 4.334 -3.525) 6.991 13.658 ( -8.105 -12.619 13.432) 20.133 13.740 ( -2.805 -1.665 3.451) 4.748 13.954 ( 6.922 -6.279 -0.583) 9.364 14.082 ( 5.815 -1.233 -2.124) 6.312 14.123 ( 4.703 -7.145 6.759) 10.902 14.202 ( -5.958 0.308 -6.073) 8.513 14.367 ( 0.775 -2.606 -5.184) 5.853 14.481 ( -7.686 4.354 -0.327) 8.840 14.719 ( -2.864 1.926 -2.315) 4.155 14.797 ( 3.372 13.101 12.434) 18.374 14.930 ( -0.465 20.543 -5.313) 21.224 15.077 ( 3.792 -2.538 -3.646) 5.840 15.235 ( -3.756 7.599 6.494) 10.678 15.362 ( -2.299 -3.487 -1.342) 4.387 15.441 ( -12.543 -4.491 -10.873) 17.197 15.592 ( -4.093 -10.726 6.710) 13.297 15.738 ( 7.539 -0.248 -2.022) 7.810 15.859 ( 3.676 -3.678 -0.729) 5.251 15.954 ( -6.190 -1.358 0.675) 6.373 16.026 ( 4.060 0.287 -7.169) 8.244 16.147 ( -5.929 -3.877 -9.786) 12.081 16.485 ( -9.048 12.978 2.064) 15.955 16.739 ( 3.533 10.300 13.350) 17.227 16.791 ( -5.865 -3.331 9.661) 11.783 16.878 ( 1.880 7.313 -5.446) 9.310 17.042 ( -4.330 0.570 -0.043) 4.368 17.193 ( -9.058 -3.735 -1.702) 9.945 17.275 ( -5.463 -2.879 9.779) 11.566 17.370 ( -4.476 -3.644 -5.304) 7.839 17.479 ( -0.961 2.965 -5.150) 6.019 17.643 ( -0.030 -2.457 -4.709) 5.311 17.850 ( -6.200 2.388 0.356) 6.653 17.973 ( 4.489 7.591 0.861) 8.861 18.332 ( -5.568 -6.148 3.694) 9.080 18.415 ( -0.879 -3.857 -4.029) 5.646 18.463 ( 1.364 -1.979 4.336) 4.958 18.608 ( 6.797 -5.372 -2.975) 9.161 18.729 ( 3.391 -1.587 -2.324) 4.407 19.221 ( -4.313 2.061 -0.227) 4.786 19.307 ( -1.433 2.815 -1.230) 3.389 19.385 ( -0.987 -5.953 6.247) 8.685 19.707 ( 0.140 6.156 -5.096) 7.993 19.843 ( -2.345 -0.478 0.809) 2.526 20.273 ( 1.116 0.215 -0.788) 1.383 20.392 ( 2.520 3.069 -0.517) 4.005 20.829 ( 6.413 -5.007 1.250) 8.232 20.949 ( -0.533 -2.509 1.136) 2.806 21.176 ( 4.890 -1.743 -2.450) 5.741 21.306 ( -9.599 5.922 -2.188) 11.489 21.530 ( 0.022 0.498 -1.665) 1.738 21.796 ( -5.832 -5.775 1.312) 8.312 22.139 ( 7.234 9.407 -0.909) 11.901 22.512 ( 3.862 -5.765 5.219) 8.682 22.576 ( 7.687 -3.433 3.814) 9.243 22.893 ( -7.407 -0.116 -3.344) 8.128 23.153 ( 4.922 6.453 -1.498) 8.253 23.788 ( -0.763 1.867 -2.178) 2.969 24.011 ( -1.108 -0.733 0.179) 1.341 24.136 ( 2.464 -4.898 0.711) 5.529 24.272 ( -2.677 -2.682 3.259) 4.999 24.401 ( -5.322 -6.101 1.768) 8.287 24.475 ( 0.957 1.463 3.061) 3.525 24.660 ( 10.014 3.173 -3.015) 10.929 25.022 ( -7.866 9.568 -2.576) 12.651 25.698 ( -9.442 -7.880 -0.676) 12.317 25.920 ( 5.644 2.000 2.732) 6.582 26.570 ( 9.032 4.488 -5.696) 11.583 26.733 ( 6.279 -2.397 3.489) 7.573 27.716 ( 5.808 -7.751 -0.000) 9.685 28.207 ( -8.893 13.479 0.480) 16.155 28.915 ( 2.445 -5.631 0.430) 6.154 30.147 ( -2.857 -0.405 -0.164) 2.890 ======================= Grid point 247 (66/68) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 3.973 4.185 -5.918) 8.265 2.975 ( 2.467 -3.931 2.451) 5.248 3.926 ( -16.978 -7.325 -5.951) 19.425 4.176 ( -28.590 0.410 -1.019) 28.611 4.445 ( -15.177 -0.271 -1.215) 15.228 4.594 ( -12.356 -5.039 10.419) 16.930 4.951 ( -37.541 -5.674 5.355) 38.343 6.063 ( 10.555 4.150 5.495) 12.603 6.235 ( 20.364 4.193 1.397) 20.838 6.654 ( 17.543 -8.293 -1.653) 19.475 6.726 ( 19.423 4.179 8.199) 21.492 6.831 ( 14.088 2.559 -4.920) 15.140 6.983 ( 4.062 -6.193 -10.663) 12.983 7.029 ( -11.945 0.133 9.107) 15.021 7.091 ( 7.585 -5.579 -2.910) 9.855 7.288 ( 1.543 8.761 4.743) 10.081 7.591 ( -2.462 5.419 -1.758) 6.206 7.706 ( 5.059 10.598 -7.144) 13.746 7.846 ( 3.277 -7.460 -1.586) 8.301 7.996 ( 13.309 2.181 3.905) 14.040 8.128 ( 11.560 -1.468 0.289) 11.656 8.302 ( 6.645 3.437 1.056) 7.555 8.507 ( 6.424 2.857 -5.791) 9.109 8.681 ( -0.341 4.157 -5.704) 7.066 8.793 ( 4.249 1.716 -2.356) 5.152 9.055 ( 4.705 11.087 4.313) 12.793 9.101 ( -1.905 -8.457 -5.652) 10.349 9.261 ( 17.016 13.584 -3.525) 22.056 9.436 ( 3.245 -4.935 6.060) 8.462 9.573 ( 0.088 -3.684 -2.433) 4.416 9.713 ( -0.378 -8.532 7.039) 11.068 9.757 ( 4.343 4.539 -5.940) 8.645 9.894 ( 5.672 0.696 -1.380) 5.879 10.070 ( 0.668 1.054 2.165) 2.499 10.193 ( 10.128 0.828 -7.105) 12.399 10.238 ( -3.760 -4.328 7.902) 9.762 10.514 ( 13.189 4.821 2.417) 14.249 10.679 ( -0.833 1.827 -0.041) 2.008 10.819 ( -0.443 1.929 0.904) 2.176 10.878 ( 7.951 0.323 2.264) 8.273 10.975 ( 3.672 -1.026 -0.086) 3.814 11.088 ( -3.890 -8.095 7.435) 11.659 11.263 ( 8.546 7.519 -0.100) 11.383 11.308 ( 1.104 -1.729 -1.715) 2.674 11.347 ( 8.345 13.755 -9.612) 18.741 11.592 ( -6.964 -6.023 -11.134) 14.448 11.749 ( 5.659 -4.856 3.506) 8.240 11.875 ( -5.048 3.549 5.984) 8.595 12.059 ( -6.239 3.949 -1.553) 7.545 12.270 ( -5.060 -3.046 4.003) 7.135 12.379 ( -6.119 -3.949 -0.477) 7.298 12.468 ( -2.326 5.399 9.579) 11.240 12.609 ( 7.075 -19.634 -1.858) 20.952 12.649 ( 14.026 0.686 -2.662) 14.293 12.770 ( 3.350 -4.520 -4.095) 6.959 12.876 ( -8.025 3.337 0.938) 8.742 13.085 ( -8.696 8.084 -0.060) 11.873 13.204 ( -0.783 -1.880 -6.337) 6.656 13.303 ( 0.307 7.088 2.800) 7.627 13.516 ( 2.116 -5.444 3.357) 6.737 13.554 ( 2.525 -7.544 11.696) 14.145 13.777 ( 3.749 9.435 -8.066) 12.967 13.999 ( 2.964 -4.206 -4.312) 6.713 14.002 ( -0.890 -1.906 9.870) 10.091 14.174 ( 10.084 -4.700 -1.294) 11.201 14.255 ( -3.669 -5.082 -3.808) 7.334 14.268 ( -1.454 -0.480 0.969) 1.812 14.429 ( -2.466 3.730 7.876) 9.057 14.647 ( -6.929 5.857 -8.117) 12.174 14.949 ( -6.837 2.052 2.469) 7.553 15.070 ( -5.203 -7.552 -4.385) 10.165 15.098 ( -1.405 4.559 3.035) 5.654 15.185 ( -3.491 11.070 -0.821) 11.637 15.193 ( -6.163 -8.722 -3.999) 11.404 15.299 ( -1.645 9.553 1.552) 9.817 15.504 ( 4.357 -5.897 -2.913) 7.889 15.739 ( -5.027 -6.971 8.434) 12.042 15.837 ( 0.242 -1.124 -5.340) 5.463 15.953 ( -5.201 7.647 -9.631) 13.352 15.980 ( 1.938 -4.661 -6.200) 7.995 16.092 ( 1.486 -1.655 -4.990) 5.463 16.416 ( -10.132 8.921 3.079) 13.847 16.576 ( -16.017 -1.976 8.318) 18.156 16.822 ( -8.625 7.782 8.658) 14.488 16.844 ( -9.339 -5.891 4.397) 11.885 16.948 ( -6.045 -9.103 -10.199) 14.947 17.039 ( -0.669 0.533 7.091) 7.142 17.104 ( -1.141 -6.194 6.248) 8.872 17.278 ( -7.889 6.350 -1.560) 10.247 17.412 ( -7.032 -2.339 -1.263) 7.517 17.622 ( -4.023 2.117 -3.031) 5.463 17.727 ( -5.949 -1.311 -0.619) 6.123 18.052 ( -1.304 -0.896 3.129) 3.506 18.209 ( -1.759 -5.167 1.556) 5.675 18.308 ( -7.051 -0.889 -1.713) 7.310 18.492 ( 3.106 -0.427 -5.246) 6.112 18.656 ( -0.087 -1.393 -1.228) 1.859 18.764 ( 3.024 -0.386 -1.166) 3.264 19.174 ( 0.516 -0.299 -0.785) 0.986 19.268 ( -3.666 -0.341 3.531) 5.101 19.388 ( 2.807 2.757 2.471) 4.646 19.697 ( -2.808 -1.830 -2.139) 3.976 19.836 ( 0.551 2.416 -1.003) 2.673 20.318 ( 1.854 0.500 0.451) 1.973 20.461 ( 1.517 0.805 -1.350) 2.184 20.870 ( 0.569 -0.181 -0.100) 0.605 20.960 ( 6.366 -4.113 2.157) 7.880 21.196 ( -5.220 4.659 -1.124) 7.087 21.254 ( 3.295 -2.623 -4.074) 5.860 21.490 ( -6.892 2.045 0.958) 7.253 21.675 ( -1.420 -2.868 -1.219) 3.424 22.311 ( 2.418 4.013 -0.987) 4.788 22.625 ( 9.383 -3.847 -8.231) 13.061 22.661 ( 2.789 0.878 13.316) 13.634 22.815 ( 5.128 0.956 -0.066) 5.216 23.337 ( 8.021 5.444 -1.687) 9.840 23.789 ( -0.658 0.912 -2.015) 2.308 23.952 ( -3.624 -2.728 -2.028) 4.968 24.128 ( -1.106 -2.140 1.295) 2.735 24.160 ( -3.082 -2.516 2.493) 4.696 24.249 ( -7.669 -3.650 5.947) 10.368 24.459 ( -3.309 0.920 0.373) 3.455 24.845 ( -9.658 4.071 -8.690) 13.615 25.060 ( 20.016 2.464 4.369) 20.635 25.510 ( -4.113 -2.249 -0.063) 4.688 25.981 ( 1.129 0.436 1.128) 1.654 26.740 ( 5.388 1.189 -2.395) 6.015 27.014 ( 23.669 3.939 0.799) 24.008 27.763 ( 6.737 -4.670 0.037) 8.197 28.164 ( -8.279 7.711 0.793) 11.341 28.895 ( 0.474 -3.247 0.358) 3.301 30.024 ( -10.803 -1.942 -0.175) 10.978 ======================= Grid point 257 (67/68) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.808 -3.828 -2.400) 4.590 2.892 ( -2.398 -0.438 -0.916) 2.604 4.114 ( 2.365 8.609 -0.617) 8.949 4.598 ( 3.514 16.042 -0.630) 16.434 4.778 ( 23.717 25.900 -17.094) 39.058 5.087 ( 22.879 26.266 27.088) 44.126 5.459 ( 10.610 18.995 7.616) 23.052 5.700 ( -5.827 -32.415 8.130) 33.923 5.959 ( -17.121 -3.021 0.581) 17.395 6.111 ( -25.066 -9.534 0.902) 26.833 6.446 ( -6.088 -23.877 -3.007) 24.824 6.526 ( -9.630 -18.843 1.600) 21.222 6.866 ( -3.556 -7.909 -7.978) 11.783 6.960 ( 1.510 -10.030 -5.655) 11.613 7.059 ( -12.697 -14.192 2.774) 19.244 7.412 ( 9.627 3.028 0.667) 10.114 7.466 ( -3.221 7.116 5.736) 9.691 7.676 ( 1.763 -4.948 8.347) 9.862 7.843 ( 2.373 15.153 -9.734) 18.166 7.953 ( 2.944 -5.499 -6.471) 8.987 8.200 ( 5.878 -1.933 1.532) 6.375 8.390 ( -0.264 17.324 -1.588) 17.399 8.401 ( -2.851 -0.794 -3.694) 4.733 8.717 ( 1.783 3.067 -3.310) 4.852 8.784 ( -6.262 2.731 2.234) 7.188 9.021 ( -5.486 -4.629 -4.301) 8.368 9.131 ( 3.940 6.058 7.296) 10.269 9.236 ( 13.798 8.986 -16.635) 23.406 9.393 ( 5.862 -9.767 1.829) 11.537 9.460 ( -11.466 0.756 -7.081) 13.497 9.566 ( -4.563 -13.565 4.601) 15.033 9.721 ( -0.897 -1.118 -2.453) 2.841 9.791 ( -1.670 1.553 2.771) 3.589 9.944 ( -6.161 -2.421 -0.080) 6.620 10.247 ( 5.850 -1.710 -0.020) 6.095 10.292 ( 6.406 -3.753 -0.466) 7.439 10.378 ( -5.968 -9.438 9.221) 14.482 10.423 ( -7.977 -14.367 -3.640) 16.832 10.732 ( -9.621 -2.397 3.372) 10.473 10.845 ( -4.946 -2.380 0.673) 5.530 10.864 ( -0.675 -7.164 -4.393) 8.430 11.059 ( -4.870 -3.256 1.524) 6.053 11.091 ( -1.632 -9.750 -3.965) 10.651 11.311 ( 0.892 0.780 5.222) 5.354 11.458 ( 3.273 -5.339 7.289) 9.610 11.587 ( 12.221 2.029 0.186) 12.389 11.752 ( -2.083 8.514 -10.756) 13.875 11.996 ( 2.457 2.018 0.633) 3.242 12.072 ( -21.533 -6.827 1.090) 22.616 12.138 ( -4.904 4.239 -0.139) 6.483 12.325 ( -9.577 -11.018 1.784) 14.707 12.459 ( 14.026 -0.049 12.944) 19.086 12.525 ( 3.920 4.125 -5.853) 8.163 12.612 ( 1.453 -10.199 -3.185) 10.783 12.688 ( 5.400 0.620 -8.049) 9.713 12.929 ( 0.047 1.326 -3.298) 3.555 13.049 ( -8.751 7.281 0.608) 11.401 13.324 ( -4.981 2.150 -0.746) 5.477 13.426 ( -5.806 6.528 10.472) 13.638 13.500 ( 14.651 -0.453 5.336) 15.599 13.561 ( 4.051 3.293 3.076) 6.059 13.824 ( 3.478 -1.281 -3.923) 5.397 13.850 ( -3.693 -4.091 -8.869) 10.442 13.957 ( -5.462 -2.605 7.997) 10.028 14.068 ( 1.051 -0.093 2.937) 3.121 14.301 ( 2.945 9.297 -1.730) 9.904 14.316 ( 4.660 0.368 1.772) 4.999 14.538 ( 6.582 -1.022 0.506) 6.680 14.758 ( -11.670 -4.361 -0.408) 12.465 14.919 ( -6.098 -1.221 10.644) 12.328 15.051 ( 6.970 -2.019 -2.866) 7.802 15.132 ( -7.576 10.401 -6.985) 14.641 15.285 ( 8.642 8.626 -0.912) 12.244 15.302 ( 2.021 0.255 3.399) 3.963 15.419 ( 0.198 2.491 0.855) 2.641 15.526 ( 10.775 3.087 -5.757) 12.601 15.757 ( 1.424 0.689 3.919) 4.226 15.814 ( -5.041 -8.901 0.095) 10.230 15.890 ( -0.274 2.672 -3.632) 4.517 16.038 ( 1.583 -0.808 -6.992) 7.215 16.193 ( 6.506 4.760 -10.101) 12.924 16.556 ( -7.023 3.564 -1.517) 8.020 16.703 ( 7.009 3.966 5.965) 10.022 16.878 ( -3.373 -3.738 8.702) 10.053 16.970 ( -3.090 12.102 1.925) 12.638 17.079 ( 5.448 9.454 6.331) 12.615 17.106 ( 5.644 5.190 3.141) 8.286 17.199 ( 8.148 7.416 2.639) 11.329 17.406 ( 1.055 3.991 -14.855) 15.418 17.528 ( 5.130 -2.800 5.921) 8.320 17.649 ( -0.634 -0.677 -7.711) 7.767 17.849 ( 2.912 9.624 2.810) 10.440 18.121 ( 5.617 -0.008 1.450) 5.801 18.135 ( -5.420 5.652 3.664) 8.646 18.400 ( 0.607 -3.468 -9.161) 9.814 18.447 ( 1.566 -1.551 2.626) 3.429 18.557 ( -2.834 -3.909 -0.714) 4.881 18.691 ( -4.642 -4.848 -2.895) 7.310 19.236 ( 2.391 6.204 -1.917) 6.920 19.328 ( 0.705 2.770 0.424) 2.890 19.364 ( 1.508 -4.887 4.492) 6.807 19.735 ( -1.031 5.965 -1.266) 6.185 19.857 ( 1.583 -1.256 -1.686) 2.632 20.285 ( 0.062 -1.740 -0.215) 1.754 20.443 ( -0.356 -0.863 0.992) 1.362 20.714 ( -6.844 -7.364 2.131) 10.277 20.959 ( 2.502 1.539 -0.487) 2.977 21.138 ( -3.794 -3.404 -3.641) 6.264 21.383 ( 6.310 6.926 -1.252) 9.453 21.594 ( 2.525 -2.763 -1.383) 3.991 21.673 ( -0.987 6.760 0.748) 6.872 22.331 ( 0.066 0.867 2.388) 2.542 22.347 ( -6.716 -11.959 1.731) 13.825 22.552 ( -4.049 -8.152 6.474) 11.170 22.890 ( 4.113 7.858 -1.977) 9.087 23.240 ( -2.982 -6.491 -3.460) 7.937 23.804 ( -0.130 1.150 -4.325) 4.477 23.992 ( 0.816 2.229 1.182) 2.652 24.070 ( -1.097 -2.098 2.504) 3.446 24.216 ( 0.763 4.776 3.056) 5.721 24.363 ( 3.158 3.363 2.288) 5.150 24.507 ( 1.579 -0.624 3.529) 3.916 24.703 ( -7.261 -13.264 -2.799) 15.378 25.125 ( 5.544 12.597 -4.049) 14.347 25.603 ( 4.261 5.969 -0.164) 7.336 25.941 ( -2.405 -4.261 0.079) 4.894 26.655 ( -2.440 -4.597 0.104) 5.205 26.671 ( -7.961 -13.223 -0.371) 15.439 27.637 ( -2.477 -4.357 0.047) 5.012 28.373 ( 5.247 9.558 0.709) 10.927 28.829 ( -2.301 -4.378 0.426) 4.964 30.141 ( 2.010 3.535 -0.334) 4.081 ======================= Grid point 259 (68/68) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -2.216 2.600 -1.548) 3.750 2.892 ( 2.924 -4.277 -1.199) 5.318 4.170 ( 0.744 -0.458 -0.629) 1.077 4.877 ( -4.495 19.127 4.972) 20.268 5.220 ( -11.507 -5.539 4.792) 13.640 5.321 ( -2.920 4.409 -12.596) 13.661 5.483 ( -10.038 15.152 0.958) 18.201 5.616 ( -12.345 -0.019 14.233) 18.841 5.876 ( 15.875 2.729 5.456) 17.006 5.939 ( 22.682 11.605 16.891) 30.568 6.099 ( 1.786 -27.589 -9.111) 29.110 6.208 ( 2.242 -19.693 12.027) 23.184 6.760 ( 0.654 -7.136 -11.747) 13.760 6.811 ( 3.702 -6.080 -8.796) 11.316 6.945 ( 5.459 -6.522 3.823) 9.325 7.437 ( -3.048 7.396 -0.372) 8.008 7.583 ( -4.464 -8.841 -2.822) 10.298 7.635 ( 10.326 -4.399 -0.292) 11.227 7.926 ( -6.836 6.750 -3.132) 10.105 8.094 ( -6.372 4.014 -7.175) 10.402 8.209 ( 4.660 2.528 -3.672) 6.449 8.443 ( -11.532 11.271 -3.804) 16.568 8.556 ( 9.698 12.773 4.756) 16.727 8.642 ( -8.272 14.212 4.234) 16.980 8.730 ( -3.488 -6.870 2.858) 8.218 8.894 ( 1.372 4.422 -7.531) 8.841 9.208 ( -9.229 -4.633 5.661) 11.776 9.331 ( -0.754 10.942 -1.887) 11.129 9.406 ( 8.648 -9.356 -1.315) 12.809 9.466 ( 9.387 -15.171 -3.587) 18.197 9.627 ( -12.617 -2.607 -0.549) 12.895 9.730 ( 9.826 5.226 1.742) 11.264 9.768 ( -7.759 -3.336 3.306) 9.070 9.891 ( -6.870 -2.939 -1.833) 7.694 9.986 ( 15.207 12.494 -13.082) 23.633 10.291 ( 1.263 -6.182 4.582) 7.798 10.345 ( -2.952 -6.834 3.729) 8.326 10.471 ( -1.849 -11.789 -4.385) 12.713 10.583 ( 10.190 11.446 -0.625) 15.338 10.635 ( -6.838 0.099 3.146) 7.527 10.825 ( 2.953 -5.160 -0.650) 5.981 11.000 ( 0.948 0.420 -1.499) 1.823 11.020 ( 2.505 -6.150 0.081) 6.641 11.327 ( 2.234 -2.510 8.500) 9.140 11.412 ( -7.662 7.659 -0.289) 10.838 11.717 ( -5.159 -7.310 -4.142) 9.859 11.870 ( 6.416 -0.912 -2.028) 6.791 11.915 ( 12.780 1.124 0.975) 12.866 11.973 ( -5.516 0.474 -9.490) 10.986 12.086 ( 5.796 -7.546 -3.757) 10.230 12.221 ( 5.834 -6.492 6.394) 10.819 12.494 ( 0.109 -6.079 -0.166) 6.082 12.521 ( -3.165 -0.710 4.388) 5.456 12.574 ( -0.412 -2.410 5.557) 6.071 12.820 ( -3.533 2.289 -6.281) 7.562 12.935 ( -6.334 7.103 -7.174) 11.918 13.054 ( 8.123 0.329 2.875) 8.623 13.262 ( 1.448 -0.057 5.293) 5.488 13.453 ( -3.211 11.338 10.788) 15.977 13.554 ( -2.270 -0.239 6.065) 6.480 13.711 ( 6.570 -3.159 0.682) 7.322 13.725 ( -9.713 -2.634 -6.590) 12.030 13.829 ( 1.996 -0.909 2.639) 3.431 13.919 ( 8.024 -8.576 -2.067) 11.925 14.147 ( -4.496 9.381 7.167) 12.632 14.326 ( -4.361 -3.335 3.997) 6.791 14.416 ( -3.500 7.292 -3.766) 8.922 14.535 ( 0.677 -1.269 -5.536) 5.720 14.663 ( 9.351 -9.105 -3.858) 13.610 14.779 ( -0.607 1.797 11.726) 11.878 15.097 ( -5.999 4.795 3.345) 8.377 15.149 ( -1.629 12.920 -8.562) 15.585 15.298 ( 0.246 -2.354 -6.499) 6.917 15.487 ( 1.382 2.614 12.713) 13.052 15.498 ( -1.427 1.028 1.287) 2.180 15.586 ( -3.663 -6.747 2.752) 8.156 15.653 ( -1.452 6.934 -4.770) 8.541 15.811 ( -3.551 -6.050 -5.008) 8.619 15.889 ( 10.304 -0.834 -2.042) 10.537 16.020 ( -1.811 -2.538 -1.768) 3.584 16.275 ( -6.821 7.508 -14.158) 17.417 16.533 ( 9.061 -5.471 -6.398) 12.368 16.737 ( -5.165 0.005 9.180) 10.533 16.877 ( -1.898 6.885 6.518) 9.669 16.999 ( 1.132 3.505 2.007) 4.195 17.164 ( -4.566 7.653 6.004) 10.746 17.219 ( 0.004 1.967 7.078) 7.346 17.335 ( -3.981 -2.087 8.043) 9.214 17.428 ( 0.487 3.129 -13.848) 14.205 17.491 ( 2.327 -6.198 -1.285) 6.744 17.650 ( -2.518 4.102 -11.074) 12.075 17.987 ( -0.506 4.961 -0.084) 4.988 18.047 ( -7.096 10.466 2.008) 12.803 18.285 ( 7.324 -5.970 -2.749) 9.840 18.368 ( -2.490 -4.578 -2.822) 5.927 18.414 ( -1.232 -4.689 4.849) 6.857 18.480 ( 6.297 -3.584 5.504) 9.099 18.627 ( 1.449 -1.712 -5.512) 5.951 19.300 ( -0.360 2.867 1.348) 3.188 19.340 ( -1.499 -1.668 1.102) 2.498 19.348 ( 0.640 -0.252 -0.699) 0.980 19.774 ( -1.148 5.484 -3.794) 6.766 19.855 ( 0.095 -2.288 -1.752) 2.883 20.285 ( -0.735 0.257 0.470) 0.909 20.426 ( -2.962 4.579 1.270) 5.599 20.615 ( 6.421 -9.123 2.001) 11.334 20.995 ( -2.242 2.307 -1.090) 3.396 21.082 ( 2.755 -3.114 -3.418) 5.382 21.513 ( -1.003 -0.646 -2.937) 3.170 21.535 ( -5.296 8.989 0.746) 10.459 21.743 ( 4.689 -6.049 -0.239) 7.657 22.181 ( -2.927 4.808 5.473) 7.851 22.401 ( 4.075 -5.377 3.900) 7.793 22.426 ( 1.627 -4.636 3.940) 6.298 23.013 ( -2.693 5.349 -2.507) 6.492 23.136 ( 0.619 -1.987 -3.702) 4.247 23.813 ( -0.262 0.990 -4.902) 5.007 24.014 ( 0.253 0.325 2.819) 2.849 24.050 ( 1.355 -3.236 1.461) 3.801 24.276 ( 0.475 1.477 4.909) 5.149 24.426 ( 2.904 1.355 0.979) 3.351 24.442 ( -2.839 -5.098 1.339) 5.986 24.591 ( 0.602 -0.196 -0.780) 1.005 25.256 ( -5.084 9.796 -4.232) 11.820 25.743 ( 0.207 -1.719 -0.220) 1.745 25.820 ( 2.221 -3.192 -0.097) 3.890 26.525 ( -0.746 1.413 -0.251) 1.617 26.611 ( 3.104 -5.386 0.171) 6.219 27.594 ( 1.836 -3.192 0.031) 3.682 28.487 ( -7.227 12.738 0.582) 14.657 28.768 ( 5.208 -9.224 0.553) 10.607 30.174 ( -0.344 0.613 -0.330) 0.777 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/50688 10.0 8323.517 8323.517 3736.232 0.000 -0.000 -0.000 3/50688 20.0 940.531 940.531 1060.371 -0.000 -0.000 -0.000 3/50688 30.0 344.141 344.141 399.653 -0.000 -0.000 -0.000 3/50688 40.0 177.599 177.599 206.402 -0.000 -0.000 -0.000 3/50688 50.0 109.664 109.664 124.878 -0.000 -0.000 -0.000 3/50688 60.0 75.491 75.491 83.756 -0.000 -0.000 -0.000 3/50688 70.0 55.872 55.872 60.468 -0.000 -0.000 -0.000 3/50688 80.0 43.521 43.521 46.069 -0.000 -0.000 -0.000 3/50688 90.0 35.199 35.199 36.547 -0.000 -0.000 -0.000 3/50688 100.0 29.294 29.294 29.913 -0.000 -0.000 -0.000 3/50688 110.0 24.934 24.934 25.098 -0.000 -0.000 -0.000 3/50688 120.0 21.610 21.610 21.487 -0.000 -0.000 -0.000 3/50688 130.0 19.010 19.010 18.704 -0.000 -0.000 -0.000 3/50688 140.0 16.933 16.933 16.511 -0.000 -0.000 -0.000 3/50688 150.0 15.242 15.242 14.748 -0.000 -0.000 -0.000 3/50688 160.0 13.845 13.845 13.307 -0.000 -0.000 -0.000 3/50688 170.0 12.674 12.674 12.112 -0.000 -0.000 -0.000 3/50688 180.0 11.681 11.681 11.107 -0.000 -0.000 -0.000 3/50688 190.0 10.830 10.830 10.254 -0.000 -0.000 -0.000 3/50688 200.0 10.094 10.094 9.520 -0.000 -0.000 -0.000 3/50688 210.0 9.451 9.451 8.884 -0.000 -0.000 -0.000 3/50688 220.0 8.886 8.886 8.329 -0.000 -0.000 -0.000 3/50688 230.0 8.386 8.386 7.839 -0.000 -0.000 -0.000 3/50688 240.0 7.940 7.940 7.404 -0.000 -0.000 -0.000 3/50688 250.0 7.540 7.540 7.017 -0.000 -0.000 -0.000 3/50688 260.0 7.179 7.179 6.668 -0.000 -0.000 -0.000 3/50688 270.0 6.852 6.852 6.354 -0.000 -0.000 -0.000 3/50688 280.0 6.555 6.555 6.069 -0.000 -0.000 -0.000 3/50688 290.0 6.283 6.283 5.809 -0.000 -0.000 -0.000 3/50688 300.0 6.034 6.034 5.572 -0.000 -0.000 -0.000 3/50688 310.0 5.805 5.805 5.353 -0.000 -0.000 -0.000 3/50688 320.0 5.593 5.593 5.152 -0.000 -0.000 -0.000 3/50688 330.0 5.396 5.396 4.966 -0.000 -0.000 -0.000 3/50688 340.0 5.214 5.214 4.794 -0.000 -0.000 -0.000 3/50688 350.0 5.044 5.044 4.634 -0.000 -0.000 -0.000 3/50688 360.0 4.885 4.885 4.484 -0.000 -0.000 -0.000 3/50688 370.0 4.736 4.736 4.344 -0.000 -0.000 -0.000 3/50688 380.0 4.597 4.597 4.213 -0.000 -0.000 -0.000 3/50688 390.0 4.465 4.465 4.090 -0.000 -0.000 -0.000 3/50688 400.0 4.342 4.342 3.975 -0.000 -0.000 -0.000 3/50688 410.0 4.225 4.225 3.866 -0.000 -0.000 -0.000 3/50688 420.0 4.115 4.115 3.763 -0.000 -0.000 -0.000 3/50688 430.0 4.010 4.010 3.665 -0.000 -0.000 -0.000 3/50688 440.0 3.911 3.911 3.573 -0.000 -0.000 -0.000 3/50688 450.0 3.817 3.817 3.485 -0.000 -0.000 -0.000 3/50688 460.0 3.727 3.727 3.402 -0.000 -0.000 -0.000 3/50688 470.0 3.642 3.642 3.323 -0.000 -0.000 -0.000 3/50688 480.0 3.560 3.560 3.247 -0.000 -0.000 -0.000 3/50688 490.0 3.482 3.482 3.175 -0.000 -0.000 -0.000 3/50688 500.0 3.408 3.408 3.107 -0.000 -0.000 -0.000 3/50688 510.0 3.337 3.337 3.041 -0.000 -0.000 -0.000 3/50688 520.0 3.269 3.269 2.978 -0.000 -0.000 -0.000 3/50688 530.0 3.204 3.204 2.917 -0.000 -0.000 -0.000 3/50688 540.0 3.141 3.141 2.860 -0.000 -0.000 -0.000 3/50688 550.0 3.081 3.081 2.804 -0.000 -0.000 -0.000 3/50688 560.0 3.023 3.023 2.751 -0.000 -0.000 -0.000 3/50688 570.0 2.967 2.967 2.699 -0.000 -0.000 -0.000 3/50688 580.0 2.913 2.913 2.650 -0.000 -0.000 -0.000 3/50688 590.0 2.862 2.862 2.603 -0.000 -0.000 -0.000 3/50688 600.0 2.812 2.812 2.557 -0.000 -0.000 -0.000 3/50688 610.0 2.764 2.764 2.512 -0.000 -0.000 -0.000 3/50688 620.0 2.717 2.717 2.470 -0.000 -0.000 -0.000 3/50688 630.0 2.673 2.673 2.429 -0.000 -0.000 -0.000 3/50688 640.0 2.629 2.629 2.389 -0.000 -0.000 -0.000 3/50688 650.0 2.587 2.587 2.350 -0.000 -0.000 -0.000 3/50688 660.0 2.547 2.547 2.313 -0.000 -0.000 -0.000 3/50688 670.0 2.507 2.507 2.277 -0.000 -0.000 -0.000 3/50688 680.0 2.469 2.469 2.242 -0.000 -0.000 -0.000 3/50688 690.0 2.432 2.432 2.208 -0.000 -0.000 -0.000 3/50688 700.0 2.396 2.396 2.175 -0.000 -0.000 -0.000 3/50688 710.0 2.362 2.362 2.143 -0.000 -0.000 -0.000 3/50688 720.0 2.328 2.328 2.113 -0.000 -0.000 -0.000 3/50688 730.0 2.295 2.295 2.083 -0.000 -0.000 -0.000 3/50688 740.0 2.263 2.263 2.053 -0.000 -0.000 -0.000 3/50688 750.0 2.232 2.232 2.025 -0.000 -0.000 -0.000 3/50688 760.0 2.202 2.202 1.998 -0.000 -0.000 -0.000 3/50688 770.0 2.173 2.173 1.971 -0.000 -0.000 -0.000 3/50688 780.0 2.144 2.144 1.945 -0.000 -0.000 -0.000 3/50688 790.0 2.116 2.116 1.919 -0.000 -0.000 -0.000 3/50688 800.0 2.089 2.089 1.895 -0.000 -0.000 -0.000 3/50688 810.0 2.063 2.063 1.870 -0.000 -0.000 -0.000 3/50688 820.0 2.037 2.037 1.847 -0.000 -0.000 -0.000 3/50688 830.0 2.012 2.012 1.824 -0.000 -0.000 -0.000 3/50688 840.0 1.988 1.988 1.802 -0.000 -0.000 -0.000 3/50688 850.0 1.964 1.964 1.780 -0.000 -0.000 -0.000 3/50688 860.0 1.940 1.940 1.759 -0.000 -0.000 -0.000 3/50688 870.0 1.918 1.918 1.738 -0.000 -0.000 -0.000 3/50688 880.0 1.896 1.896 1.718 -0.000 -0.000 -0.000 3/50688 890.0 1.874 1.874 1.698 -0.000 -0.000 -0.000 3/50688 900.0 1.853 1.853 1.679 -0.000 -0.000 -0.000 3/50688 910.0 1.832 1.832 1.660 -0.000 -0.000 -0.000 3/50688 920.0 1.812 1.812 1.641 -0.000 -0.000 -0.000 3/50688 930.0 1.792 1.792 1.623 -0.000 -0.000 -0.000 3/50688 940.0 1.772 1.772 1.606 -0.000 -0.000 -0.000 3/50688 950.0 1.754 1.754 1.588 -0.000 -0.000 -0.000 3/50688 960.0 1.735 1.735 1.572 -0.000 -0.000 -0.000 3/50688 970.0 1.717 1.717 1.555 -0.000 -0.000 -0.000 3/50688 980.0 1.699 1.699 1.539 -0.000 -0.000 -0.000 3/50688 990.0 1.682 1.682 1.523 -0.000 -0.000 -0.000 3/50688 1000.0 1.665 1.665 1.507 -0.000 -0.000 -0.000 3/50688 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:02:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|